#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fim s PHE 3 N 0.00 3.42 0.12 2.11 0.40 -1.26 -4.83 117.98 117.94 3fim s PHE 3 Ca 0.00 1.53 -0.14 0.00 -0.60 0.00 0.00 56.93 57.72 3fim s PHE 3 Cb 0.00 -2.77 -0.06 0.00 0.51 0.00 0.00 43.02 40.71 3fim s PHE 3 CO 0.00 0.04 1.46 -0.44 0.70 0.00 0.00 175.22 176.98 3fim h ASP 4 N 2.35 0.82 -4.35 1.36 3.32 -1.81 0.14 116.42 118.25 3fim h ASP 4 Ca -0.48 -0.44 -0.46 0.00 0.02 0.00 0.00 57.03 55.67 3fim h ASP 4 Cb 1.18 -0.23 -0.23 0.00 0.22 0.00 0.00 39.33 40.27 3fim h ASP 4 CO 0.63 1.09 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.13 3fim s TYR 5 N -4.49 1.35 -0.13 4.55 1.51 -0.75 -1.04 117.35 118.36 3fim s TYR 5 Ca -0.12 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 3fim s TYR 5 Cb 0.10 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 41.19 3fim s TYR 5 CO 0.84 0.07 -0.16 0.08 -1.11 0.00 0.00 175.55 175.27 3fim s VAL 6 N -1.03 1.64 0.00 0.71 1.01 -1.09 -1.49 120.40 120.15 3fim s VAL 6 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3fim s VAL 6 Cb -0.09 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3fim s VAL 6 CO 0.02 0.47 0.00 1.33 0.00 0.00 0.00 175.10 176.92 3fim n VAL 7 N 4.37 -0.42 0.00 2.92 0.24 -1.22 -0.52 118.33 123.70 3fim n VAL 7 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3fim n VAL 7 Cb 0.51 -2.29 0.00 0.00 -1.47 0.00 0.00 33.84 30.59 3fim n VAL 7 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3fim n VAL 8 N -1.04 0.00 -2.82 3.34 3.14 0.13 -0.52 118.33 120.55 3fim n VAL 8 Ca 0.00 0.22 -0.22 0.00 -2.96 0.00 0.00 64.34 61.38 3fim n VAL 8 Cb 0.42 -0.74 0.02 0.00 -1.06 0.00 0.00 33.84 32.48 3fim n VAL 8 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3fim s GLY 9 N 0.00 1.68 -0.81 7.55 0.00 -1.16 -4.29 107.32 110.30 3fim s GLY 9 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.49 3fim s GLY 9 CO 0.00 -0.95 2.75 0.00 0.00 0.00 0.00 173.10 174.90 3fim n ALA 10 N -2.20 6.67 -2.34 3.20 0.00 -1.26 -4.20 120.51 120.38 3fim n ALA 10 Ca 0.04 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.17 3fim n ALA 10 Cb 0.59 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3fim n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fim n GLY 11 N 1.59 3.73 0.15 0.00 0.00 -1.26 -0.39 105.19 109.01 3fim n GLY 11 Ca 0.56 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 3fim n GLY 11 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fim h ASN 12 N 0.00 -0.12 0.17 1.61 -0.00 -1.89 -2.45 115.58 112.89 3fim h ASN 12 Ca 0.00 0.08 -0.36 0.00 -0.00 0.00 0.00 56.30 56.02 3fim h ASN 12 Cb 0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.42 3fim h ASN 12 CO 0.00 -0.03 -2.04 0.00 -0.00 0.00 0.00 177.43 175.36 3fim n ALA 13 N -2.48 1.11 -0.22 1.57 0.00 -1.26 -4.32 120.51 114.90 3fim n ALA 13 Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 53.44 52.79 3fim n ALA 13 Cb 0.17 -0.60 0.34 0.00 0.00 0.00 0.00 19.45 19.36 3fim n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3fim h GLY 14 N 1.82 1.08 1.76 0.00 0.00 -1.72 -2.28 103.07 103.72 3fim h GLY 14 Ca -0.43 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.47 3fim h GLY 14 CO 0.06 0.21 -0.38 3.43 0.00 0.00 0.00 176.54 179.86 3fim h ASN 15 N 0.80 0.29 0.11 0.19 2.35 -1.65 -0.89 115.58 116.77 3fim h ASN 15 Ca 0.36 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3fim h ASN 15 Cb 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3fim h ASN 15 CO -0.13 0.65 -0.09 0.58 -1.65 0.00 0.00 177.43 176.78 3fim h VAL 16 N 0.23 0.79 0.01 2.81 2.07 -1.61 -0.90 116.25 119.66 3fim h VAL 16 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3fim h VAL 16 Cb 0.78 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3fim h VAL 16 CO 0.06 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.22 3fim h VAL 17 N -0.22 0.99 -0.27 2.57 2.07 -1.36 0.79 116.25 120.83 3fim h VAL 17 Ca -0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3fim h VAL 17 Cb 0.20 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3fim h VAL 17 CO -0.02 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.69 3fim h ALA 18 N 0.97 0.31 -0.15 1.67 0.00 -1.10 -1.21 119.26 119.74 3fim h ALA 18 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fim h ALA 18 Cb 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fim h ALA 18 CO 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 179.25 178.94 3fim h ALA 19 N 1.15 0.21 -0.25 0.00 0.00 -1.02 -3.01 119.26 116.34 3fim h ALA 19 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3fim h ALA 19 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fim h ALA 19 CO -0.10 -0.05 0.11 0.00 0.00 0.00 0.00 179.25 179.21 3fim h ARG 20 N -0.00 0.24 0.00 0.00 2.47 -0.78 -3.01 114.38 113.30 3fim h ARG 20 Ca 0.04 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 3fim h ARG 20 Cb 0.44 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3fim h ARG 20 CO 0.01 0.16 -0.19 -0.07 0.56 0.00 0.00 179.97 180.44 3fim h LEU 21 N 0.25 0.00 -0.69 3.04 3.38 -1.26 -2.66 115.31 117.37 3fim h LEU 21 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fim h LEU 21 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fim h LEU 21 CO -0.08 0.19 -0.06 0.35 0.09 0.00 0.00 178.44 178.93 3fim n THR 22 N -4.28 0.00 0.12 0.22 -2.24 -1.14 -3.25 114.28 103.71 3fim n THR 22 Ca -0.02 -0.18 0.15 0.00 -2.27 0.00 0.00 64.05 61.72 3fim n THR 22 Cb 0.26 0.30 0.67 0.00 -2.10 0.00 0.00 70.33 69.46 3fim n THR 22 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3fim h GLU 23 N 1.67 0.00 -5.59 -0.78 5.08 -1.40 -3.36 114.58 110.21 3fim h GLU 23 Ca 0.00 -0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3fim h GLU 23 Cb 0.43 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.55 3fim h GLU 23 CO 0.00 0.00 0.23 0.34 -1.00 0.00 0.00 179.01 178.58 3fim s ASP 24 N -6.61 6.44 0.29 1.42 -1.08 -1.20 -4.95 116.67 110.98 3fim s ASP 24 Ca -0.05 0.09 0.22 0.00 -0.52 0.00 0.00 52.55 52.29 3fim s ASP 24 Cb 0.18 -2.35 1.07 0.00 -1.46 0.00 0.00 42.92 40.36 3fim s ASP 24 CO 0.70 -0.70 1.67 -0.81 0.52 0.00 0.00 175.17 176.55 3fim n PRO 25 N 6.26 0.16 0.00 4.34 -0.04 -1.26 -1.64 135.00 142.83 3fim n PRO 25 Ca 0.00 0.54 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 3fim n PRO 25 Cb 0.48 -1.91 0.44 0.00 -0.04 0.00 0.00 33.50 32.47 3fim n PRO 25 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fim n ASP 26 N -2.23 1.74 -4.36 3.54 8.00 -1.26 -4.82 116.55 117.16 3fim n ASP 26 Ca 0.00 -1.56 -0.36 0.00 0.71 0.00 0.00 54.79 53.58 3fim n ASP 26 Cb 0.12 0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.10 3fim n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fim s VAL 27 N -2.02 3.80 -0.13 2.53 1.01 -0.65 -5.05 120.40 119.89 3fim s VAL 27 Ca 0.36 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3fim s VAL 27 Cb 0.21 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3fim s VAL 27 CO 0.34 0.32 0.16 -0.94 0.00 0.00 0.00 175.10 174.97 3fim s SER 28 N 1.52 6.39 -0.03 3.32 1.04 -1.26 -4.54 113.70 120.14 3fim s SER 28 Ca 0.05 0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.98 3fim s SER 28 Cb -0.15 -2.09 -0.00 0.00 0.10 0.00 0.00 66.02 63.88 3fim s SER 28 CO 0.00 0.36 -0.13 -0.69 0.98 0.00 0.00 173.24 173.77 3fim s VAL 29 N -0.78 1.05 -0.22 5.02 1.01 -0.47 -1.80 120.40 124.20 3fim s VAL 29 Ca 0.14 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 3fim s VAL 29 Cb -0.12 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3fim s VAL 29 CO 0.04 0.31 -0.00 -0.22 0.00 0.00 0.00 175.10 175.22 3fim s LEU 30 N -0.02 3.11 -0.22 3.92 2.96 -0.56 -1.36 118.68 126.52 3fim s LEU 30 Ca -0.00 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 3fim s LEU 30 Cb -0.08 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3fim s LEU 30 CO 0.01 -0.01 0.19 -0.69 -1.32 0.00 0.00 176.35 174.53 3fim s VAL 31 N 1.42 5.35 -0.31 1.68 1.01 0.43 -3.39 120.40 126.58 3fim s VAL 31 Ca 0.05 0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 3fim s VAL 31 Cb -0.15 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3fim s VAL 31 CO -0.00 0.35 0.13 -0.76 0.00 0.00 0.00 175.10 174.82 3fim s LEU 32 N 0.91 4.04 -0.13 3.92 1.43 0.32 -0.49 118.68 128.68 3fim s LEU 32 Ca 0.10 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3fim s LEU 32 Cb -0.13 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3fim s LEU 32 CO 0.04 -0.20 -0.13 -0.70 0.23 0.00 0.00 176.35 175.59 3fim s GLU 33 N 1.58 3.39 0.30 1.70 2.56 0.14 -4.01 118.70 124.36 3fim s GLU 33 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 54.97 54.34 3fim s GLU 33 Cb -0.17 -2.65 0.48 0.00 2.00 0.00 0.00 34.13 33.80 3fim s GLU 33 CO 0.05 0.21 1.87 0.00 -0.56 0.00 0.00 175.26 176.83 3fim h ALA 34 N 6.73 1.30 -3.27 6.30 0.00 -1.85 0.12 119.26 128.59 3fim h ALA 34 Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fim h ALA 34 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fim h ALA 34 CO 0.56 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.72 3fim n GLY 35 N -0.97 -0.02 4.00 0.00 0.00 -1.26 -3.49 105.19 103.44 3fim n GLY 35 Ca 0.04 -1.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 3fim n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fim s VAL 36 N -0.09 2.24 0.62 1.61 -7.23 -1.22 -1.03 120.40 115.31 3fim s VAL 36 Ca 0.00 -0.72 -0.18 0.00 -1.81 0.00 0.00 61.98 59.26 3fim s VAL 36 Cb 0.00 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 3fim s VAL 36 CO 0.00 0.00 1.23 -0.55 -0.31 0.00 0.00 175.10 175.47 3fim s SER 37 N -4.66 4.97 0.00 4.85 0.15 -1.26 -0.73 113.70 117.02 3fim s SER 37 Ca 0.64 2.46 0.26 0.00 0.70 0.00 0.00 55.95 60.00 3fim s SER 37 Cb -0.06 -2.60 0.71 0.00 -1.71 0.00 0.00 66.02 62.35 3fim s SER 37 CO 0.42 -1.75 1.54 -0.90 1.20 0.00 0.00 173.24 173.75 3fim n ASP 38 N -1.74 0.82 -4.73 5.45 5.75 -1.26 -4.72 116.55 116.12 3fim n ASP 38 Ca 0.14 -0.66 -0.42 0.00 -0.01 0.00 0.00 54.79 53.84 3fim n ASP 38 Cb 0.49 0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 3fim n ASP 38 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3fim s GLU 39 N -2.66 4.32 -1.15 0.11 2.56 -1.26 -3.52 118.70 117.10 3fim s GLU 39 Ca 0.20 2.13 -0.28 0.00 0.00 0.00 0.00 54.97 57.02 3fim s GLU 39 Cb 0.19 -3.20 0.03 0.00 2.00 0.00 0.00 34.13 33.15 3fim s GLU 39 CO 0.57 -0.39 0.70 0.09 -0.56 0.00 0.00 175.26 175.67 3fim n ASN 40 N 3.29 -4.52 -3.95 -1.70 5.03 -1.26 -4.98 115.26 107.17 3fim n ASN 40 Ca 0.09 -1.19 -0.30 0.00 0.87 0.00 0.00 54.58 54.05 3fim n ASN 40 Cb 0.42 -2.06 -0.14 0.00 -1.02 0.00 0.00 39.78 36.98 3fim n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3fim s VAL 41 N -3.45 2.37 0.28 2.41 1.01 -1.23 -5.02 120.40 116.77 3fim s VAL 41 Ca 0.43 -2.94 -0.08 0.00 0.00 0.00 0.00 61.98 59.40 3fim s VAL 41 Cb -0.22 -2.68 0.46 0.00 0.00 0.00 0.00 36.38 33.94 3fim s VAL 41 CO 0.94 -0.75 1.56 0.25 0.00 0.00 0.00 175.10 177.10 3fim h LEU 42 N 6.87 -0.92 -2.29 3.92 5.85 -1.94 -1.71 115.31 125.09 3fim h LEU 42 Ca -0.07 0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3fim h LEU 42 Cb 0.93 0.62 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 3fim h LEU 42 CO 0.62 -0.33 -0.05 1.23 -0.34 0.00 0.00 178.44 179.57 3fim h GLY 43 N 0.00 0.00 -0.73 3.75 0.00 -1.90 -1.38 103.07 102.81 3fim h GLY 43 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3fim h GLY 43 CO -1.03 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 175.29 3fim n ALA 44 N -2.22 3.02 -0.10 3.60 0.00 -0.67 -3.80 120.51 120.34 3fim n ALA 44 Ca -0.02 -0.55 -0.21 0.00 0.00 0.00 0.00 53.44 52.66 3fim n ALA 44 Cb 0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 3fim n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fim n GLU 45 N 0.11 0.43 -2.48 0.00 1.02 -0.58 -4.61 120.64 114.53 3fim n GLU 45 Ca 0.13 0.18 -0.43 0.00 -0.02 0.00 0.00 57.16 57.02 3fim n GLU 45 Cb 0.44 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.60 3fim n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fim s ALA 46 N -2.37 3.28 0.23 0.62 0.00 -0.82 -1.28 121.76 121.42 3fim s ALA 46 Ca -0.28 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 3fim s ALA 46 Cb 0.10 -3.82 0.36 0.00 0.00 0.00 0.00 23.12 19.77 3fim s ALA 46 CO 0.37 -1.95 1.65 -1.35 0.00 0.00 0.00 175.76 174.47 3fim h PRO 47 N 9.39 0.11 -0.36 0.00 0.11 -1.68 -2.57 132.00 136.99 3fim h PRO 47 Ca -0.25 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.96 3fim h PRO 47 Cb 1.09 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3fim h PRO 47 CO 1.06 0.07 0.26 1.25 -0.21 0.00 0.00 178.00 180.44 3fim h LEU 48 N 0.11 0.00 -0.13 2.35 5.85 -0.97 -1.10 115.31 121.42 3fim h LEU 48 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3fim h LEU 48 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3fim h LEU 48 CO -0.60 0.00 -0.02 0.18 -0.34 0.00 0.00 178.44 177.66 3fim n LEU 49 N -4.41 0.23 -0.08 2.25 4.77 -0.97 -4.39 117.00 114.40 3fim n LEU 49 Ca 0.06 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 3fim n LEU 49 Cb 0.45 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3fim n LEU 49 CO 0.36 0.04 0.79 0.00 -1.33 0.00 0.00 177.39 177.25 3fim h ALA 50 N 3.80 0.17 -1.00 -1.18 0.00 -1.28 -3.01 119.26 116.76 3fim h ALA 50 Ca 0.00 0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.24 3fim h ALA 50 Cb 0.19 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 3fim h ALA 50 CO 0.00 -0.49 0.61 -1.35 0.00 0.00 0.00 179.25 178.03 3fim h PRO 51 N -0.03 0.64 0.00 0.00 0.11 -1.83 -1.63 132.00 129.26 3fim h PRO 51 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3fim h PRO 51 Cb 0.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3fim h PRO 51 CO -0.34 0.43 0.06 0.41 -0.21 0.00 0.00 178.00 178.35 3fim n GLY 52 N -1.35 -0.72 0.15 -0.55 0.00 -1.14 -4.10 105.19 97.48 3fim n GLY 52 Ca 0.24 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 3fim n GLY 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fim h LEU 53 N 0.00 0.50 -8.30 0.99 5.85 -1.44 -3.46 115.31 109.45 3fim h LEU 53 Ca 0.00 -0.42 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 3fim h LEU 53 Cb 0.12 -0.15 -0.15 0.00 0.37 0.00 0.00 40.66 40.85 3fim h LEU 53 CO 0.00 1.24 -0.69 0.68 -0.34 0.00 0.00 178.44 179.33 3fim s VAL 54 N -3.15 0.39 -1.33 1.05 -7.23 -1.26 -4.59 120.40 104.27 3fim s VAL 54 Ca -0.05 -1.80 0.29 0.00 -1.81 0.00 0.00 61.98 58.62 3fim s VAL 54 Cb 0.09 -1.50 0.42 0.00 0.56 0.00 0.00 36.38 35.95 3fim s VAL 54 CO 0.87 -0.92 1.96 -0.81 -0.31 0.00 0.00 175.10 175.89 3fim n PRO 55 N 0.16 0.34 -3.63 4.82 -0.04 -1.26 -4.98 135.00 130.40 3fim n PRO 55 Ca -0.14 -0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 3fim n PRO 55 Cb 0.61 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 3fim n PRO 55 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3fim s ASN 56 N -2.69 5.95 0.24 3.54 0.01 -1.26 -4.76 114.94 115.97 3fim s ASN 56 Ca 0.24 -3.59 -0.22 0.00 -0.71 0.00 0.00 52.86 48.58 3fim s ASN 56 Cb 0.20 -1.91 0.03 0.00 0.41 0.00 0.00 41.25 39.98 3fim s ASN 56 CO 0.49 -0.22 0.73 -0.94 -1.51 0.00 0.00 177.10 175.66 3fim s SER 57 N 0.04 -0.30 0.59 -1.22 1.04 -1.26 -5.04 113.70 107.55 3fim s SER 57 Ca 0.26 -0.49 0.37 0.00 0.48 0.00 0.00 55.95 56.57 3fim s SER 57 Cb -0.09 0.68 1.81 0.00 0.10 0.00 0.00 66.02 68.52 3fim s SER 57 CO -0.11 -1.24 2.16 0.16 0.98 0.00 0.00 173.24 175.19 3fim h ILE 58 N 2.00 0.12 -0.17 -1.02 3.07 -1.93 -2.34 117.51 117.24 3fim h ILE 58 Ca -0.22 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 65.87 3fim h ILE 58 Cb 1.26 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 3fim h ILE 58 CO 0.26 0.03 0.00 0.49 -1.05 0.00 0.00 178.15 177.87 3fim n PHE 59 N -3.20 0.22 -4.65 0.16 3.72 -1.26 -4.87 117.46 107.58 3fim n PHE 59 Ca -0.01 -0.11 -0.29 0.00 -0.05 0.00 0.00 57.45 56.98 3fim n PHE 59 Cb 0.20 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.60 3fim n PHE 59 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fim s ASP 60 N -1.31 3.16 0.41 4.37 2.15 -0.88 -1.14 116.67 123.43 3fim s ASP 60 Ca 0.24 -0.66 0.29 0.00 0.43 0.00 0.00 52.55 52.85 3fim s ASP 60 Cb 0.12 -0.25 1.16 0.00 -0.30 0.00 0.00 42.92 43.66 3fim s ASP 60 CO 0.18 0.21 1.85 -0.50 -0.17 0.00 0.00 175.17 176.75 3fim h TRP 61 N 4.38 0.00 -1.90 -5.34 4.06 -1.75 -3.45 115.95 111.96 3fim h TRP 61 Ca -0.48 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.19 3fim h TRP 61 Cb 1.16 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.30 3fim h TRP 61 CO 0.54 0.00 -0.35 0.09 -3.56 0.00 0.00 178.44 175.16 3fim n ASN 62 N -2.70 -4.29 -4.76 -3.49 3.02 -1.26 -5.01 115.26 96.77 3fim n ASN 62 Ca 0.01 0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.23 3fim n ASN 62 Cb 0.28 -3.43 0.05 0.00 -0.61 0.00 0.00 39.78 36.07 3fim n ASN 62 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fim s TYR 63 N -2.68 2.44 0.15 3.10 2.02 -1.26 -4.98 117.35 116.14 3fim s TYR 63 Ca 0.00 1.56 0.01 0.00 -0.37 0.00 0.00 57.07 58.26 3fim s TYR 63 Cb 0.00 -3.33 -0.04 0.00 -0.40 0.00 0.00 41.96 38.19 3fim s TYR 63 CO 0.00 -2.00 0.02 0.95 -1.57 0.00 0.00 175.55 172.94 3fim s THR 64 N -2.02 0.47 0.66 -0.71 -4.23 -1.26 -1.37 115.64 107.18 3fim s THR 64 Ca 0.72 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 59.18 3fim s THR 64 Cb -0.25 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.52 3fim s THR 64 CO 0.38 -0.49 1.02 0.42 -0.54 0.00 0.00 174.62 175.41 3fim s THR 65 N -3.79 3.71 1.03 3.99 -4.23 -0.22 -4.30 115.64 111.83 3fim s THR 65 Ca 0.23 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 61.00 3fim s THR 65 Cb 0.07 -3.52 0.21 0.00 1.34 0.00 0.00 72.50 70.59 3fim s THR 65 CO 0.03 -0.64 1.08 0.42 -0.54 0.00 0.00 174.62 174.96 3fim s THR 66 N -3.21 2.19 0.11 3.99 -4.23 -0.19 -4.42 115.64 109.87 3fim s THR 66 Ca 0.56 0.06 -0.32 0.00 -1.18 0.00 0.00 61.69 60.81 3fim s THR 66 Cb -0.11 -2.22 -0.11 0.00 1.34 0.00 0.00 72.50 71.40 3fim s THR 66 CO 0.50 -0.08 1.79 0.00 -0.54 0.00 0.00 174.62 176.29 3fim n ALA 67 N -4.47 1.90 -2.52 3.99 0.00 -1.26 -4.49 120.51 113.66 3fim n ALA 67 Ca 0.06 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 3fim n ALA 67 Cb 0.54 -2.53 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 3fim n ALA 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fim s GLN 68 N 2.51 3.32 0.46 0.00 -1.52 0.09 -4.91 119.66 119.60 3fim s GLN 68 Ca 0.83 -0.38 0.13 0.00 -1.95 0.00 0.00 55.36 53.98 3fim s GLN 68 Cb -0.55 -3.93 1.06 0.00 -0.22 0.00 0.00 33.01 29.38 3fim s GLN 68 CO 0.39 -0.92 2.06 0.00 -0.25 0.00 0.00 175.29 176.57 3fim h ALA 69 N 8.78 1.93 0.00 6.09 0.00 -1.89 -0.07 119.26 134.09 3fim h ALA 69 Ca -0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3fim h ALA 69 Cb 1.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fim h ALA 69 CO 0.86 0.02 -0.00 0.78 0.00 0.00 0.00 179.25 180.91 3fim h GLY 70 N 0.32 0.00 -2.79 0.00 0.00 -1.82 -2.75 103.07 96.03 3fim h GLY 70 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.12 3fim h GLY 70 CO -0.03 0.00 -0.12 -1.72 0.00 0.00 0.00 176.54 174.67 3fim n TYR 71 N -3.14 1.85 -3.57 5.60 4.02 -0.70 -4.73 117.16 116.49 3fim n TYR 71 Ca -0.03 -1.98 -0.26 0.00 -0.01 0.00 0.00 57.90 55.62 3fim n TYR 71 Cb 0.09 -0.61 -0.01 0.00 -0.02 0.00 0.00 39.34 38.79 3fim n TYR 71 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3fim n ASN 72 N -1.00 -3.28 0.00 7.72 3.02 -1.04 -2.21 115.26 118.48 3fim n ASN 72 Ca 0.41 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3fim n ASN 72 Cb 0.98 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 37.42 3fim n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fim n GLY 73 N -1.15 0.46 3.76 7.41 0.00 -0.12 -4.99 105.19 110.55 3fim n GLY 73 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3fim n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fim s ARG 74 N -0.90 4.77 0.16 1.61 0.52 -0.94 -4.16 118.95 120.02 3fim s ARG 74 Ca 0.00 1.50 -0.16 0.00 -0.52 0.00 0.00 55.73 56.55 3fim s ARG 74 Cb 0.00 -3.17 -0.07 0.00 0.52 0.00 0.00 34.95 32.23 3fim s ARG 74 CO 0.00 0.43 0.59 -1.12 0.02 0.00 0.00 175.30 175.21 3fim s SER 75 N -1.23 6.88 0.19 0.23 0.01 -1.26 -0.74 113.70 117.78 3fim s SER 75 Ca 0.43 1.16 0.09 0.00 1.31 0.00 0.00 55.95 58.94 3fim s SER 75 Cb -0.25 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 3fim s SER 75 CO 0.31 0.09 -0.18 0.27 0.41 0.00 0.00 173.24 174.15 3fim s ILE 76 N -1.47 1.91 0.56 1.44 -4.36 -1.26 -4.94 121.20 113.08 3fim s ILE 76 Ca 0.39 -2.07 -0.21 0.00 -0.26 0.00 0.00 60.65 58.49 3fim s ILE 76 Cb -0.15 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 3fim s ILE 76 CO 0.19 -0.40 1.33 0.00 0.24 0.00 0.00 174.94 176.31 3fim s ALA 77 N -2.36 2.75 -0.51 2.27 0.00 -1.26 -1.05 121.76 121.60 3fim s ALA 77 Ca 0.20 1.29 0.07 0.00 0.00 0.00 0.00 51.96 53.51 3fim s ALA 77 Cb -0.04 -3.55 0.24 0.00 0.00 0.00 0.00 23.12 19.77 3fim s ALA 77 CO 0.08 -1.37 0.61 0.98 0.00 0.00 0.00 175.76 176.06 3fim n TYR 78 N -1.15 1.44 -1.75 0.00 9.36 -0.47 -4.74 117.16 119.85 3fim n TYR 78 Ca 0.11 -3.83 -0.38 0.00 3.32 0.00 0.00 57.90 57.13 3fim n TYR 78 Cb 0.46 -0.43 0.06 0.00 -0.63 0.00 0.00 39.34 38.80 3fim n TYR 78 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3fim s PRO 79 N -1.70 2.81 -0.09 2.98 0.04 -1.26 -4.31 135.00 133.47 3fim s PRO 79 Ca 0.37 2.16 -0.08 0.00 0.04 0.00 0.00 61.00 63.49 3fim s PRO 79 Cb 0.15 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.68 3fim s PRO 79 CO -0.07 -1.43 0.24 1.03 0.04 0.00 0.00 177.00 176.80 3fim s ARG 80 N -3.16 0.27 0.36 4.56 1.81 -1.26 -5.03 118.95 116.50 3fim s ARG 80 Ca 0.78 0.34 -0.26 0.00 -1.72 0.00 0.00 55.73 54.87 3fim s ARG 80 Cb -0.39 0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 34.13 3fim s ARG 80 CO 0.44 -0.04 1.10 0.20 -0.68 0.00 0.00 175.30 176.31 3fim s GLY 81 N 0.21 2.88 -0.52 -3.53 0.00 -1.26 -2.25 107.32 102.84 3fim s GLY 81 Ca -0.01 0.84 0.06 0.00 0.00 0.00 0.00 44.72 45.61 3fim s GLY 81 CO -0.00 1.35 0.56 -2.13 0.00 0.00 0.00 173.10 172.87 3fim n ARG 82 N 0.39 1.38 -3.67 2.90 0.63 -0.29 -4.36 116.66 113.63 3fim n ARG 82 Ca 0.03 -3.87 0.01 0.00 -0.92 0.00 0.00 57.85 53.10 3fim n ARG 82 Cb 0.47 -1.79 -0.00 0.00 0.45 0.00 0.00 32.46 31.59 3fim n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fim s MET 83 N -1.43 0.48 -0.01 -0.14 0.23 -1.26 -3.39 119.30 113.77 3fim s MET 83 Ca 0.35 -0.27 -0.37 0.00 -1.03 0.00 0.00 55.69 54.36 3fim s MET 83 Cb 0.11 0.16 -0.16 0.00 -1.53 0.00 0.00 34.83 33.41 3fim s MET 83 CO -0.10 -0.22 1.48 1.28 -2.03 0.00 0.00 175.02 175.43 3fim n LEU 84 N -0.54 1.98 0.00 0.18 4.77 0.09 -0.78 117.00 122.71 3fim n LEU 84 Ca -0.07 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 3fim n LEU 84 Cb 0.62 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3fim n LEU 84 CO 0.13 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 3fim n GLY 85 N 3.08 2.49 7.00 -0.72 0.00 0.48 -4.46 105.19 113.06 3fim n GLY 85 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3fim n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fim n GLY 86 N -2.00 2.33 0.25 -0.02 0.00 0.04 -1.91 105.19 103.88 3fim n GLY 86 Ca 0.00 -0.49 0.16 0.00 0.00 0.00 0.00 46.02 45.70 3fim n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fim h SER 87 N 9.69 0.00 0.22 1.61 0.02 -1.89 -2.18 113.55 121.03 3fim h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fim h SER 87 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3fim h SER 87 CO 0.00 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 3fim n SER 88 N -2.94 0.00 -0.29 3.07 3.41 -0.80 -0.43 113.62 115.63 3fim n SER 88 Ca 0.01 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 3fim n SER 88 Cb 0.31 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 3fim n SER 88 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fim n SER 89 N -1.42 1.58 0.00 4.04 7.64 -0.82 -4.42 113.62 120.22 3fim n SER 89 Ca 0.02 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.63 3fim n SER 89 Cb 0.08 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 3fim n SER 89 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3fim n VAL 90 N -0.62 0.00 -0.99 0.44 0.24 -0.83 -4.66 118.33 111.91 3fim n VAL 90 Ca 0.07 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.34 61.66 3fim n VAL 90 Cb 0.41 1.00 0.26 0.00 -1.47 0.00 0.00 33.84 34.04 3fim n VAL 90 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3fim s HIS 91 N -0.83 0.06 -2.21 6.34 -3.43 0.43 -4.79 115.29 110.86 3fim s HIS 91 Ca 0.00 0.41 0.20 0.00 -0.80 0.00 0.00 55.06 54.88 3fim s HIS 91 Cb 0.00 -3.42 0.53 0.00 -1.43 0.00 0.00 32.58 28.26 3fim s HIS 91 CO 0.00 -4.18 1.44 0.66 -2.00 0.00 0.00 174.74 170.67 3fim n TYR 92 N -4.96 0.60 -0.50 0.38 4.01 -1.26 -4.86 117.16 110.57 3fim n TYR 92 Ca 0.15 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3fim n TYR 92 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 3fim n TYR 92 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3fim n MET 93 N 1.18 0.00 -1.76 -0.72 2.81 -1.26 -4.72 117.12 112.64 3fim n MET 93 Ca 0.19 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.67 3fim n MET 93 Cb 0.51 -3.08 -0.01 0.00 -0.71 0.00 0.00 33.22 29.93 3fim n MET 93 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3fim s VAL 94 N -2.51 2.01 -0.12 2.03 1.01 -1.26 -0.64 120.40 120.93 3fim s VAL 94 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3fim s VAL 94 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3fim s VAL 94 CO 0.00 0.00 -0.16 -0.32 0.00 0.00 0.00 175.10 174.62 3fim s MET 95 N -1.00 2.35 0.11 2.72 1.75 0.15 -4.77 119.30 120.61 3fim s MET 95 Ca 0.60 -0.61 -0.25 0.00 -1.25 0.00 0.00 55.69 54.19 3fim s MET 95 Cb -0.48 -1.98 0.08 0.00 2.84 0.00 0.00 34.83 35.29 3fim s MET 95 CO 0.53 -0.06 0.68 0.00 -0.65 0.00 0.00 175.02 175.52 3fim s MET 96 N 0.98 1.15 0.05 4.11 0.23 -1.26 -4.49 119.30 120.07 3fim s MET 96 Ca -0.06 -0.42 0.21 0.00 -1.03 0.00 0.00 55.69 54.39 3fim s MET 96 Cb -0.15 0.53 -0.20 0.00 -1.53 0.00 0.00 34.83 33.48 3fim s MET 96 CO -0.02 -0.50 0.68 0.54 -2.03 0.00 0.00 175.02 173.68 3fim n ARG 97 N -0.34 0.64 0.00 3.16 5.12 -1.26 -3.89 116.66 120.09 3fim n ARG 97 Ca -0.15 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 3fim n ARG 97 Cb 0.64 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 3fim n ARG 97 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fim n GLY 98 N 1.29 1.54 3.94 -0.13 0.00 -1.24 -4.12 105.19 106.46 3fim n GLY 98 Ca -0.05 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 3fim n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fim s SER 99 N 0.00 5.51 0.43 1.61 1.04 -1.26 -4.49 113.70 116.54 3fim s SER 99 Ca 0.00 0.45 0.10 0.00 0.48 0.00 0.00 55.95 56.98 3fim s SER 99 Cb 0.00 -1.46 0.95 0.00 0.10 0.00 0.00 66.02 65.61 3fim s SER 99 CO 0.00 -1.04 2.05 0.71 0.98 0.00 0.00 173.24 175.94 3fim h THR 100 N -0.03 1.05 -0.04 2.02 1.35 -1.30 -2.54 112.91 113.42 3fim h THR 100 Ca -0.45 -0.16 -0.10 0.00 -0.55 0.00 0.00 66.41 65.15 3fim h THR 100 Cb 1.27 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3fim h THR 100 CO 0.58 0.08 -0.44 -0.33 -0.25 0.00 0.00 175.52 175.17 3fim h GLU 101 N 0.46 0.08 0.02 4.72 5.08 -1.91 -0.31 114.58 122.72 3fim h GLU 101 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3fim h GLU 101 Cb 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3fim h GLU 101 CO -0.04 0.51 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.03 3fim h ASP 102 N 0.07 -0.03 -0.09 1.42 3.32 -1.76 -1.31 116.42 118.04 3fim h ASP 102 Ca 0.00 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 3fim h ASP 102 Cb 0.81 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.38 3fim h ASP 102 CO 0.06 0.05 -0.82 -0.26 -1.72 0.00 0.00 179.24 176.55 3fim h PHE 103 N -0.10 1.00 -0.45 4.55 0.04 -1.53 -0.96 116.94 119.48 3fim h PHE 103 Ca -0.00 -0.48 -0.03 0.00 2.80 0.00 0.00 57.97 60.26 3fim h PHE 103 Cb 0.09 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3fim h PHE 103 CO -0.05 1.31 0.17 -0.44 -0.60 0.00 0.00 178.31 178.70 3fim h ASP 104 N 0.40 0.58 -0.53 2.17 3.32 -1.08 -1.41 116.42 119.87 3fim h ASP 104 Ca -0.08 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 3fim h ASP 104 Cb 1.47 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 3fim h ASP 104 CO 0.17 0.54 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.08 3fim h ARG 105 N 0.64 1.00 -0.87 3.56 2.43 -1.10 -0.17 114.38 119.87 3fim h ARG 105 Ca 0.15 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 3fim h ARG 105 Cb 0.15 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3fim h ARG 105 CO -0.01 1.01 0.46 1.88 -1.51 0.00 0.00 179.97 181.80 3fim h TYR 106 N 0.91 1.21 -0.21 2.20 0.05 -0.53 -1.14 116.97 119.45 3fim h TYR 106 Ca 0.15 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3fim h TYR 106 Cb 0.60 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3fim h TYR 106 CO 0.04 0.84 0.07 0.00 -1.05 0.00 0.00 178.16 178.07 3fim h ALA 107 N 1.25 0.27 -0.51 3.88 0.00 -1.11 -2.21 119.26 120.83 3fim h ALA 107 Ca 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3fim h ALA 107 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3fim h ALA 107 CO -0.05 -0.12 0.06 0.00 0.00 0.00 0.00 179.25 179.14 3fim h ALA 108 N 0.91 1.14 0.00 0.00 0.00 -0.50 0.73 119.26 121.54 3fim h ALA 108 Ca 0.07 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3fim h ALA 108 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3fim h ALA 108 CO -0.00 0.56 -1.07 -0.24 0.00 0.00 0.00 179.25 178.50 3fim h VAL 109 N 0.78 1.27 0.00 0.00 3.04 -1.25 -3.21 116.25 116.87 3fim h VAL 109 Ca 0.16 -2.92 0.00 0.00 -1.01 0.00 0.00 66.70 62.93 3fim h VAL 109 Cb 0.38 2.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.27 3fim h VAL 109 CO 0.01 0.73 -1.01 0.35 -1.01 0.00 0.00 177.57 176.63 3fim n THR 110 N -3.23 0.45 -0.97 3.17 -2.24 -0.83 -4.12 114.28 106.52 3fim n THR 110 Ca -0.04 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3fim n THR 110 Cb 0.91 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3fim n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fim n GLY 111 N 1.25 0.55 3.07 3.38 0.00 0.21 -4.03 105.19 109.62 3fim n GLY 111 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3fim n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fim s ASP 112 N -2.08 4.43 0.53 1.61 2.15 -0.99 -4.99 116.67 117.32 3fim s ASP 112 Ca 0.00 -1.39 0.31 0.00 0.43 0.00 0.00 52.55 51.90 3fim s ASP 112 Cb 0.00 -1.54 1.22 0.00 -0.30 0.00 0.00 42.92 42.30 3fim s ASP 112 CO 0.00 -0.19 1.93 -0.33 -0.17 0.00 0.00 175.17 176.41 3fim h GLU 113 N 7.78 0.00 -1.25 4.34 4.39 -1.96 -2.78 114.58 125.09 3fim h GLU 113 Ca -0.19 0.00 0.36 0.00 0.34 0.00 0.00 59.36 59.87 3fim h GLU 113 Cb 1.04 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 3fim h GLU 113 CO 0.46 0.03 0.92 0.78 -1.16 0.00 0.00 179.01 180.04 3fim h GLY 114 N 2.22 0.00 -0.46 -3.84 0.00 -1.96 -3.40 103.07 95.64 3fim h GLY 114 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3fim h GLY 114 CO 0.00 0.00 0.10 0.79 0.00 0.00 0.00 176.54 177.44 3fim n TRP 115 N -4.10 -3.56 0.00 5.60 7.02 -1.05 -4.45 117.44 116.91 3fim n TRP 115 Ca 0.27 -0.61 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 3fim n TRP 115 Cb 1.33 -0.35 0.00 0.00 -2.42 0.00 0.00 31.31 29.87 3fim n TRP 115 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3fim n ASN 116 N -3.14 0.00 -0.09 -0.99 2.85 -1.00 -4.67 115.26 108.23 3fim n ASN 116 Ca 0.07 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.48 3fim n ASN 116 Cb 0.24 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.26 3fim n ASN 116 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 3fim h TRP 117 N 0.00 -0.07 -0.65 1.20 2.91 -1.79 -1.98 115.95 115.57 3fim h TRP 117 Ca 0.00 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 3fim h TRP 117 Cb 0.00 0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.70 3fim h TRP 117 CO 0.00 -0.08 0.21 -0.44 -1.03 0.00 0.00 178.44 177.09 3fim h ASP 118 N 0.06 0.94 1.51 2.65 3.32 -1.94 -2.86 116.42 120.10 3fim h ASP 118 Ca 0.15 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3fim h ASP 118 Cb 0.22 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3fim h ASP 118 CO -0.28 0.89 0.00 0.78 -1.72 0.00 0.00 179.24 178.91 3fim h ASN 119 N 0.93 0.00 1.01 6.45 2.35 -1.70 -3.19 115.58 121.43 3fim h ASN 119 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3fim h ASN 119 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3fim h ASN 119 CO -0.01 0.00 -0.72 -0.29 -1.65 0.00 0.00 177.43 174.76 3fim h ILE 120 N 0.00 0.00 -0.37 2.81 6.09 -1.15 -3.39 117.51 121.50 3fim h ILE 120 Ca 0.00 -0.73 0.00 0.00 -1.37 0.00 0.00 64.86 62.77 3fim h ILE 120 Cb 0.75 1.31 -0.02 0.00 0.47 0.00 0.00 36.82 39.34 3fim h ILE 120 CO 0.00 0.00 0.24 1.56 -3.07 0.00 0.00 178.15 176.88 3fim h GLN 121 N 0.00 0.50 -0.38 2.19 1.08 -1.52 -1.58 115.11 115.39 3fim h GLN 121 Ca 0.00 -0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 3fim h GLN 121 Cb 0.86 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 3fim h GLN 121 CO 0.00 0.33 0.28 -0.56 -0.95 0.00 0.00 178.83 177.94 3fim h GLN 122 N 0.51 0.00 0.00 1.46 3.07 -1.80 -1.59 115.11 116.76 3fim h GLN 122 Ca 0.14 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.70 3fim h GLN 122 Cb -0.05 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.49 3fim h GLN 122 CO -0.03 0.00 -0.98 0.74 0.09 0.00 0.00 178.83 178.65 3fim h PHE 123 N 0.00 0.00 -0.73 0.06 0.04 -1.58 -3.03 116.94 111.69 3fim h PHE 123 Ca 0.18 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.01 3fim h PHE 123 Cb 0.75 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.84 3fim h PHE 123 CO 0.00 0.74 0.43 0.28 -0.60 0.00 0.00 178.31 179.17 3fim h VAL 124 N 0.00 1.01 -0.31 -0.55 2.07 -1.31 -0.45 116.25 116.71 3fim h VAL 124 Ca -0.07 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3fim h VAL 124 Cb 1.63 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3fim h VAL 124 CO 0.09 0.15 -0.22 0.03 0.02 0.00 0.00 177.57 177.63 3fim h ARG 125 N 0.80 0.60 -0.13 1.57 3.08 -1.54 -2.39 114.38 116.38 3fim h ARG 125 Ca 0.32 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3fim h ARG 125 Cb 0.15 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3fim h ARG 125 CO -0.17 0.78 -0.49 0.87 -1.07 0.00 0.00 179.97 179.89 3fim h LYS 126 N 0.53 0.34 0.00 0.04 1.57 -1.39 -3.21 116.57 114.46 3fim h LYS 126 Ca 0.08 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.48 3fim h LYS 126 Cb 0.67 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 3fim h LYS 126 CO 0.05 0.76 -0.94 -0.97 -0.57 0.00 0.00 179.45 177.77 3fim h ASN 127 N 0.27 0.00 -5.12 0.86 -0.73 -0.86 -2.54 115.58 107.46 3fim h ASN 127 Ca 0.01 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.04 3fim h ASN 127 Cb 0.96 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 39.38 3fim h ASN 127 CO 0.08 0.86 -0.65 -1.83 -0.37 0.00 0.00 177.43 175.52 3fim s GLU 128 N -2.77 0.51 -0.01 6.67 -1.05 -0.92 -0.59 118.70 120.54 3fim s GLU 128 Ca 0.01 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 3fim s GLU 128 Cb 0.09 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 3fim s GLU 128 CO 0.80 -0.10 -0.01 0.00 0.95 0.00 0.00 175.26 176.90 3fim s MET 129 N -2.81 0.15 -0.06 -4.83 0.23 0.52 -0.31 119.30 112.20 3fim s MET 129 Ca -0.03 -0.01 -0.30 0.00 -1.03 0.00 0.00 55.69 54.32 3fim s MET 129 Cb -0.00 -0.22 -0.02 0.00 -1.53 0.00 0.00 34.83 33.06 3fim s MET 129 CO -0.06 -0.02 1.02 0.08 -2.03 0.00 0.00 175.02 174.01 3fim s VAL 130 N 0.29 4.75 0.30 5.16 1.01 -0.95 -0.86 120.40 130.11 3fim s VAL 130 Ca -0.03 2.00 0.06 0.00 0.00 0.00 0.00 61.98 64.02 3fim s VAL 130 Cb -0.05 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3fim s VAL 130 CO -0.01 0.07 -0.04 0.68 0.00 0.00 0.00 175.10 175.80 3fim s VAL 131 N 1.60 1.65 0.51 2.92 -7.23 0.06 -4.93 120.40 114.99 3fim s VAL 131 Ca 0.51 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 58.34 3fim s VAL 131 Cb -0.20 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.12 3fim s VAL 131 CO 0.22 -0.22 1.34 -2.84 -0.31 0.00 0.00 175.10 173.29 3fim s PRO 132 N -3.74 3.38 0.62 4.82 0.02 -1.26 -4.43 135.00 134.41 3fim s PRO 132 Ca 0.31 2.20 -0.18 0.00 0.02 0.00 0.00 61.00 63.36 3fim s PRO 132 Cb 0.05 -2.39 -0.02 0.00 0.02 0.00 0.00 34.50 32.16 3fim s PRO 132 CO 0.13 -0.99 1.20 -1.25 -0.33 0.00 0.00 177.00 175.77 3fim s PRO 133 N -2.74 2.80 0.27 5.54 0.04 -1.26 -4.45 135.00 135.19 3fim s PRO 133 Ca 0.67 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3fim s PRO 133 Cb -0.39 -1.91 0.53 0.00 0.04 0.00 0.00 34.50 32.76 3fim s PRO 133 CO 0.48 -1.33 1.82 0.00 0.04 0.00 0.00 177.00 178.01 3fim h ALA 134 N 0.59 1.44 -0.00 8.56 0.00 -1.84 0.55 119.26 128.56 3fim h ALA 134 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3fim h ALA 134 Cb 1.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fim h ALA 134 CO 0.54 0.17 -0.02 -0.40 0.00 0.00 0.00 179.25 179.54 3fim n ASP 135 N -4.67 0.11 -2.28 0.00 5.75 -0.91 -4.81 116.55 109.74 3fim n ASP 135 Ca 0.18 -0.36 -0.20 0.00 -0.01 0.00 0.00 54.79 54.40 3fim n ASP 135 Cb 0.35 -0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 3fim n ASP 135 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3fim n ASN 136 N -1.17 -5.79 -4.68 -1.12 2.85 0.18 -4.98 115.26 100.55 3fim n ASN 136 Ca 0.16 0.01 -0.29 0.00 -0.11 0.00 0.00 54.58 54.34 3fim n ASN 136 Cb 0.23 -4.82 0.16 0.00 1.24 0.00 0.00 39.78 36.59 3fim n ASN 136 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 3fim s HIS 137 N -3.00 2.12 -0.30 1.20 -3.43 -1.26 -4.97 115.29 105.64 3fim s HIS 137 Ca 0.00 1.20 -0.29 0.00 -0.80 0.00 0.00 55.06 55.17 3fim s HIS 137 Cb 0.00 -3.19 0.01 0.00 -1.43 0.00 0.00 32.58 27.97 3fim s HIS 137 CO 0.00 -2.72 1.17 1.21 -2.00 0.00 0.00 174.74 172.40 3fim s ASN 138 N -3.30 6.85 0.00 7.38 3.84 -1.26 -4.83 114.94 123.62 3fim s ASN 138 Ca 0.65 1.16 0.21 0.00 0.21 0.00 0.00 52.86 55.09 3fim s ASN 138 Cb -0.19 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.54 3fim s ASN 138 CO 0.58 -0.94 1.48 0.35 -2.79 0.00 0.00 177.10 175.79 3fim n THR 139 N 5.94 0.81 -1.68 -5.21 -2.24 -1.26 -4.95 114.28 105.69 3fim n THR 139 Ca 0.13 -0.86 -0.48 0.00 -2.27 0.00 0.00 64.05 60.57 3fim n THR 139 Cb 0.47 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 3fim n THR 139 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3fim n SER 140 N 1.46 3.36 -0.06 3.42 2.88 -1.26 -1.32 113.62 122.11 3fim n SER 140 Ca 0.22 0.99 -0.01 0.00 -1.33 0.00 0.00 58.87 58.75 3fim n SER 140 Cb 0.57 -1.37 -0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3fim n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fim n GLY 141 N 4.22 0.48 0.00 0.46 0.00 -1.26 -4.90 105.19 104.20 3fim n GLY 141 Ca 0.22 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.98 3fim n GLY 141 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fim n GLU 142 N -2.70 1.07 -3.89 1.61 1.02 -0.43 -4.99 120.64 112.33 3fim n GLU 142 Ca -0.01 -0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 56.96 3fim n GLU 142 Cb 0.06 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3fim n GLU 142 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3fim s PHE 143 N -2.85 0.38 -0.34 -0.32 -0.00 -1.23 -4.50 117.98 109.12 3fim s PHE 143 Ca 0.00 -0.92 -0.01 0.00 -0.00 0.00 0.00 56.93 56.00 3fim s PHE 143 Cb 0.12 0.57 0.08 0.00 -0.00 0.00 0.00 43.02 43.79 3fim s PHE 143 CO 0.69 -1.44 0.07 0.42 -0.00 0.00 0.00 175.22 174.97 3fim s ILE 144 N -2.57 2.95 0.35 -4.49 1.01 -1.26 -4.93 121.20 112.26 3fim s ILE 144 Ca 0.20 -1.77 0.14 0.00 0.00 0.00 0.00 60.65 59.21 3fim s ILE 144 Cb -0.04 -2.88 0.35 0.00 0.01 0.00 0.00 42.46 39.90 3fim s ILE 144 CO 0.14 -0.38 1.75 -0.65 0.00 0.00 0.00 174.94 175.80 3fim h PRO 145 N 7.95 0.48 -0.04 2.79 0.11 -1.99 -2.67 132.00 138.64 3fim h PRO 145 Ca -0.16 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.94 3fim h PRO 145 Cb 1.05 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3fim h PRO 145 CO 0.58 0.32 0.07 0.00 -0.21 0.00 0.00 178.00 178.76 3fim h ALA 146 N 1.68 1.45 -0.04 -0.75 0.00 -1.99 -2.38 119.26 117.23 3fim h ALA 146 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3fim h ALA 146 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fim h ALA 146 CO -0.40 -0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.09 3fim n VAL 147 N -3.59 0.02 -4.35 0.00 0.24 -1.00 -4.93 118.33 104.72 3fim n VAL 147 Ca -0.02 -0.47 -0.23 0.00 -2.04 0.00 0.00 64.34 61.58 3fim n VAL 147 Cb 0.15 1.32 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 3fim n VAL 147 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3fim s HIS 148 N -1.98 2.57 0.74 6.34 3.76 -0.90 -4.91 115.29 120.91 3fim s HIS 148 Ca 0.30 -0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 54.85 3fim s HIS 148 Cb 0.20 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.80 3fim s HIS 148 CO 0.31 0.65 1.08 0.20 -0.85 0.00 0.00 174.74 176.12 3fim s GLY 149 N -3.59 1.69 0.00 -2.22 0.00 -1.26 -4.96 107.32 96.98 3fim s GLY 149 Ca 0.31 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3fim s GLY 149 CO 0.18 0.55 0.00 -1.30 0.00 0.00 0.00 173.10 172.53 3fim n THR 150 N -3.34 0.00 -0.34 0.90 -2.24 -1.24 -2.24 114.28 105.78 3fim n THR 150 Ca 0.09 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3fim n THR 150 Cb 0.53 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3fim n THR 150 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fim n ASN 151 N -1.07 0.23 -2.64 3.42 3.02 -1.25 -4.63 115.26 112.35 3fim n ASN 151 Ca 0.00 -0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 53.80 3fim n ASN 151 Cb 0.00 0.17 0.06 0.00 -0.61 0.00 0.00 39.78 39.41 3fim n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fim n GLY 152 N 0.17 -1.64 0.11 7.41 0.00 0.58 -4.87 105.19 106.95 3fim n GLY 152 Ca 0.00 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 3fim n GLY 152 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fim h SER 153 N -0.82 0.30 -3.23 1.61 0.02 -1.25 -3.32 113.55 106.86 3fim h SER 153 Ca -0.13 -0.81 -0.55 0.00 -0.84 0.00 0.00 61.79 59.46 3fim h SER 153 Cb 0.35 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3fim h SER 153 CO 0.09 1.07 0.58 -0.69 -1.14 0.00 0.00 176.83 176.74 3fim s VAL 154 N -2.98 4.61 -0.07 2.27 1.01 0.24 -4.79 120.40 120.69 3fim s VAL 154 Ca -0.15 1.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 3fim s VAL 154 Cb 0.01 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3fim s VAL 154 CO 0.76 0.03 1.23 -0.44 0.00 0.00 0.00 175.10 176.69 3fim s SER 155 N 1.19 7.01 0.15 3.32 0.01 -1.26 -0.36 113.70 123.76 3fim s SER 155 Ca 0.51 1.83 0.11 0.00 1.31 0.00 0.00 55.95 59.71 3fim s SER 155 Cb -0.21 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3fim s SER 155 CO 0.21 -0.63 -0.25 0.27 0.41 0.00 0.00 173.24 173.25 3fim s ILE 156 N 2.46 2.21 0.23 1.44 -4.36 -0.04 -2.60 121.20 120.55 3fim s ILE 156 Ca 0.57 -1.85 -0.17 0.00 -0.26 0.00 0.00 60.65 58.93 3fim s ILE 156 Cb -0.25 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.49 3fim s ILE 156 CO 0.21 -0.03 0.57 -0.94 0.24 0.00 0.00 174.94 174.99 3fim s SER 157 N -2.31 -0.22 0.84 4.36 1.04 0.13 -0.76 113.70 116.78 3fim s SER 157 Ca 0.16 -0.63 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 3fim s SER 157 Cb -0.09 0.62 0.09 0.00 0.10 0.00 0.00 66.02 66.74 3fim s SER 157 CO 0.07 -1.16 1.09 -0.76 0.98 0.00 0.00 173.24 173.47 3fim s LEU 158 N -2.92 2.53 0.22 2.42 1.02 -1.26 -1.46 118.68 119.23 3fim s LEU 158 Ca 0.13 1.49 -0.32 0.00 0.02 0.00 0.00 54.13 55.45 3fim s LEU 158 Cb -0.02 -4.03 -0.14 0.00 0.02 0.00 0.00 46.19 42.02 3fim s LEU 158 CO 0.03 -2.27 1.43 -2.65 0.02 0.00 0.00 176.35 172.91 3fim n PRO 159 N -3.64 2.02 0.00 1.29 -0.02 -1.25 -4.58 135.00 128.82 3fim n PRO 159 Ca 0.07 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 3fim n PRO 159 Cb 0.55 -2.40 0.45 0.00 -0.02 0.00 0.00 33.50 32.08 3fim n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fim n GLY 160 N 2.36 -0.95 3.02 -1.23 0.00 -1.26 -4.71 105.19 102.41 3fim n GLY 160 Ca 0.13 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3fim n GLY 160 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fim s PHE 161 N -2.66 -0.27 0.78 1.61 5.36 -1.26 -2.13 117.98 119.41 3fim s PHE 161 Ca 0.22 0.67 -0.12 0.00 -0.96 0.00 0.00 56.93 56.74 3fim s PHE 161 Cb 0.19 0.01 0.06 0.00 -0.34 0.00 0.00 43.02 42.94 3fim s PHE 161 CO 0.55 -0.20 1.12 -1.25 -1.46 0.00 0.00 175.22 173.98 3fim s PRO 162 N 1.12 2.25 0.05 10.12 0.04 -1.26 -4.79 135.00 142.53 3fim s PRO 162 Ca -0.08 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 61.34 3fim s PRO 162 Cb -0.10 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3fim s PRO 162 CO -0.07 -1.45 -0.01 0.95 0.04 0.00 0.00 177.00 176.45 3fim s THR 163 N -3.35 0.20 -1.17 1.26 -4.23 -1.26 -5.04 115.64 102.05 3fim s THR 163 Ca 0.60 -1.67 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 3fim s THR 163 Cb -0.12 -1.38 0.11 0.00 1.34 0.00 0.00 72.50 72.45 3fim s THR 163 CO 0.52 -0.92 1.25 -0.81 -0.54 0.00 0.00 174.62 174.11 3fim n PRO 164 N 0.26 0.05 0.10 3.99 -0.04 -1.26 -2.57 135.00 135.53 3fim n PRO 164 Ca -0.15 0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 3fim n PRO 164 Cb 0.60 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3fim n PRO 164 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3fim h LEU 165 N 0.00 0.00 0.28 1.53 4.07 -1.98 -3.40 115.31 115.82 3fim h LEU 165 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3fim h LEU 165 Cb 0.13 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 3fim h LEU 165 CO 0.00 0.76 -0.18 0.44 -1.08 0.00 0.00 178.44 178.38 3fim h ASP 166 N 0.00 -0.45 -0.16 -0.43 3.32 -1.92 0.96 116.42 117.74 3fim h ASP 166 Ca -0.01 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3fim h ASP 166 Cb 1.57 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 41.23 3fim h ASP 166 CO 0.10 -0.28 -0.12 0.44 -1.72 0.00 0.00 179.24 177.65 3fim h ASP 167 N -0.44 0.51 -0.21 6.45 3.32 -1.79 -1.93 116.42 122.33 3fim h ASP 167 Ca -0.03 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 3fim h ASP 167 Cb 0.37 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3fim h ASP 167 CO 0.02 0.67 -0.37 0.03 -1.72 0.00 0.00 179.24 177.87 3fim h ARG 168 N 0.49 0.74 0.21 3.56 3.08 -1.70 -0.59 114.38 120.18 3fim h ARG 168 Ca 0.09 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3fim h ARG 168 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3fim h ARG 168 CO 0.03 0.99 -0.10 0.28 -1.07 0.00 0.00 179.97 180.09 3fim h VAL 169 N 0.61 0.84 -0.80 2.04 2.07 -0.70 -1.94 116.25 118.38 3fim h VAL 169 Ca 0.06 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.38 3fim h VAL 169 Cb 0.91 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3fim h VAL 169 CO 0.08 0.07 0.45 -0.07 0.02 0.00 0.00 177.57 178.12 3fim h LEU 170 N -0.43 0.63 -1.15 2.57 3.38 -1.33 -1.98 115.31 117.00 3fim h LEU 170 Ca -0.03 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3fim h LEU 170 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fim h LEU 170 CO 0.05 0.36 -0.22 0.00 0.09 0.00 0.00 178.44 178.72 3fim h ALA 171 N 1.44 1.29 -0.23 1.53 0.00 -1.06 -2.65 119.26 119.59 3fim h ALA 171 Ca 0.38 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3fim h ALA 171 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fim h ALA 171 CO -0.25 0.47 -0.27 1.15 0.00 0.00 0.00 179.25 180.36 3fim h THR 172 N 0.29 1.27 0.00 0.00 2.02 -0.64 -1.06 112.91 114.78 3fim h THR 172 Ca 0.05 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 3fim h THR 172 Cb 0.55 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3fim h THR 172 CO 0.04 0.40 -0.05 0.71 0.37 0.00 0.00 175.52 176.99 3fim h THR 173 N 0.39 0.28 0.01 3.16 1.35 -1.01 0.22 112.91 117.31 3fim h THR 173 Ca 0.06 -0.34 -0.26 0.00 -0.55 0.00 0.00 66.41 65.32 3fim h THR 173 Cb 0.67 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 3fim h THR 173 CO 0.05 0.05 -1.41 0.00 -0.25 0.00 0.00 175.52 173.97 3fim n GLN 174 N -3.37 0.59 -0.37 4.72 6.02 -0.83 -3.68 117.38 120.45 3fim n GLN 174 Ca -0.02 0.53 -0.01 0.00 -0.01 0.00 0.00 57.00 57.49 3fim n GLN 174 Cb 0.19 -1.73 0.12 0.00 1.02 0.00 0.00 30.24 29.84 3fim n GLN 174 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3fim h GLU 175 N -0.89 1.28 -1.82 -1.09 4.81 -1.20 -3.24 114.58 112.43 3fim h GLU 175 Ca -0.38 -0.08 -0.59 0.00 -0.13 0.00 0.00 59.36 58.19 3fim h GLU 175 Cb 1.40 -0.29 -0.42 0.00 0.63 0.00 0.00 28.75 30.07 3fim h GLU 175 CO -0.19 0.85 -0.70 1.04 -0.73 0.00 0.00 179.01 179.27 3fim n GLN 176 N -4.41 3.32 0.21 1.92 6.02 0.77 -4.91 117.38 120.29 3fim n GLN 176 Ca 0.12 -4.63 0.13 0.00 -0.01 0.00 0.00 57.00 52.61 3fim n GLN 176 Cb 0.04 -2.23 0.29 0.00 1.02 0.00 0.00 30.24 29.35 3fim n GLN 176 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fim h SER 177 N 2.74 0.00 0.01 1.08 4.64 -1.63 0.54 113.55 120.94 3fim h SER 177 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3fim h SER 177 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3fim h SER 177 CO 0.83 0.00 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.44 3fim h GLU 178 N 0.00 -0.04 0.19 4.77 3.07 -1.91 -3.15 114.58 117.52 3fim h GLU 178 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.51 3fim h GLU 178 Cb 0.88 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.81 3fim h GLU 178 CO 0.00 -0.03 -1.71 1.49 -1.40 0.00 0.00 179.01 177.36 3fim h GLU 179 N -0.04 0.41 -1.23 2.33 4.81 -1.96 -3.42 114.58 115.48 3fim h GLU 179 Ca 0.00 -0.70 -0.53 0.00 -0.13 0.00 0.00 59.36 58.00 3fim h GLU 179 Cb 0.04 0.26 -0.42 0.00 0.63 0.00 0.00 28.75 29.26 3fim h GLU 179 CO -0.01 1.33 -0.83 1.19 -0.73 0.00 0.00 179.01 179.95 3fim n PHE 180 N -3.60 2.86 -1.33 0.92 3.72 0.17 -4.96 117.46 115.24 3fim n PHE 180 Ca -0.23 -2.83 -0.31 0.00 -0.05 0.00 0.00 57.45 54.03 3fim n PHE 180 Cb 1.08 -0.18 0.08 0.00 -0.94 0.00 0.00 39.48 39.52 3fim n PHE 180 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3fim s PHE 181 N -3.51 2.63 0.29 1.38 -0.12 -1.19 -4.18 117.98 113.28 3fim s PHE 181 Ca 0.45 1.54 -0.28 0.00 -0.05 0.00 0.00 56.93 58.59 3fim s PHE 181 Cb 0.41 -3.04 -0.09 0.00 -0.63 0.00 0.00 43.02 39.66 3fim s PHE 181 CO -0.10 -1.74 1.05 0.12 -0.05 0.00 0.00 175.22 174.50 3fim s PHE 182 N -2.86 3.62 -0.20 3.49 5.36 -1.26 -0.83 117.98 125.30 3fim s PHE 182 Ca 0.61 1.74 -0.02 0.00 -0.96 0.00 0.00 56.93 58.31 3fim s PHE 182 Cb -0.17 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 3fim s PHE 182 CO 0.54 -0.32 -0.11 1.21 -1.46 0.00 0.00 175.22 175.09 3fim s ASN 183 N -1.09 3.81 0.45 6.13 3.84 0.19 -4.68 114.94 123.58 3fim s ASN 183 Ca 0.46 -0.49 0.19 0.00 0.21 0.00 0.00 52.86 53.24 3fim s ASN 183 Cb -0.28 -1.63 1.05 0.00 -0.55 0.00 0.00 41.25 39.84 3fim s ASN 183 CO 0.36 0.00 1.94 1.55 -2.79 0.00 0.00 177.10 178.17 3fim h PRO 184 N 7.94 0.00 -1.29 0.43 0.13 -1.93 -3.37 132.00 133.91 3fim h PRO 184 Ca -0.42 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.86 3fim h PRO 184 Cb 1.16 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 3fim h PRO 184 CO 0.61 0.23 0.44 0.34 -0.23 0.00 0.00 178.00 179.40 3fim s ASP 185 N -6.60 -0.41 0.46 1.44 -1.08 -1.26 -3.54 116.67 105.68 3fim s ASP 185 Ca -0.03 0.63 0.31 0.00 -0.52 0.00 0.00 52.55 52.95 3fim s ASP 185 Cb 0.14 1.24 1.47 0.00 -1.46 0.00 0.00 42.92 44.31 3fim s ASP 185 CO 0.66 -0.10 1.94 0.24 0.52 0.00 0.00 175.17 178.44 3fim h MET 186 N 6.15 0.00 0.00 4.34 2.86 -1.86 -2.94 114.93 123.49 3fim h MET 186 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3fim h MET 186 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3fim h MET 186 CO 0.18 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.56 3fim n GLY 187 N -0.47 -0.88 0.11 8.32 0.00 -1.26 -1.48 105.19 109.54 3fim n GLY 187 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3fim n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fim n THR 188 N -1.66 0.96 -0.30 2.61 -2.24 -1.11 -4.87 114.28 107.67 3fim n THR 188 Ca 0.02 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 3fim n THR 188 Cb 0.12 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 3fim n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fim n GLY 189 N -0.33 0.85 3.01 3.38 0.00 -0.55 -4.86 105.19 106.69 3fim n GLY 189 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3fim n GLY 189 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fim s HIS 190 N -2.71 3.32 -0.02 1.61 3.76 -1.25 -0.80 115.29 119.20 3fim s HIS 190 Ca 0.00 -3.00 0.27 0.00 -0.15 0.00 0.00 55.06 52.18 3fim s HIS 190 Cb 0.00 -2.96 0.92 0.00 1.11 0.00 0.00 32.58 31.65 3fim s HIS 190 CO 0.00 -0.80 1.82 -1.00 -0.85 0.00 0.00 174.74 173.91 3fim h PRO 191 N 6.81 0.00 -6.96 8.40 0.13 -1.83 -3.44 132.00 135.12 3fim h PRO 191 Ca -0.06 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.56 3fim h PRO 191 Cb 0.93 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.12 3fim h PRO 191 CO 0.68 0.11 0.53 -0.51 -0.23 0.00 0.00 178.00 178.57 3fim s LEU 192 N -6.40 4.15 0.00 1.56 1.43 -1.26 -4.49 118.68 113.67 3fim s LEU 192 Ca 0.02 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 3fim s LEU 192 Cb 0.08 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.26 3fim s LEU 192 CO 0.61 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3fim n GLY 193 N 0.61 -1.07 3.44 -3.19 0.00 -0.28 -4.61 105.19 100.09 3fim n GLY 193 Ca 0.05 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 3fim n GLY 193 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fim s ILE 194 N -0.12 4.26 0.14 -0.61 1.01 -0.01 -0.91 121.20 124.96 3fim s ILE 194 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 60.55 3fim s ILE 194 Cb 0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3fim s ILE 194 CO 0.00 0.34 -0.19 -0.94 0.00 0.00 0.00 174.94 174.15 3fim s SER 195 N 1.60 2.65 0.25 3.58 1.04 -0.64 0.53 113.70 122.70 3fim s SER 195 Ca 0.06 -0.80 -0.31 0.00 0.48 0.00 0.00 55.95 55.39 3fim s SER 195 Cb -0.15 -0.15 -0.11 0.00 0.10 0.00 0.00 66.02 65.71 3fim s SER 195 CO 0.03 0.00 1.60 0.26 0.98 0.00 0.00 173.24 176.11 3fim s TRP 196 N -1.72 2.88 0.39 5.02 0.52 -1.26 -1.51 118.94 123.26 3fim s TRP 196 Ca 0.12 0.69 -0.27 0.00 0.02 0.00 0.00 56.10 56.67 3fim s TRP 196 Cb -0.07 -4.03 -0.11 0.00 -1.15 0.00 0.00 33.47 28.12 3fim s TRP 196 CO 0.06 -3.59 1.36 0.43 0.02 0.00 0.00 176.95 175.22 3fim n SER 197 N 2.91 3.06 -4.31 2.95 7.64 -0.10 -4.88 113.62 120.90 3fim n SER 197 Ca 0.11 1.17 -0.31 0.00 1.01 0.00 0.00 58.87 60.85 3fim n SER 197 Cb 0.37 -1.54 -0.16 0.00 -1.01 0.00 0.00 64.21 61.87 3fim n SER 197 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fim s ILE 198 N -1.15 2.05 0.02 0.44 1.01 -1.26 -3.85 121.20 118.46 3fim s ILE 198 Ca 0.57 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3fim s ILE 198 Cb -0.51 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 3fim s ILE 198 CO 0.61 0.58 -0.04 0.00 0.00 0.00 0.00 174.94 176.09 3fim s ALA 199 N -0.58 0.22 -1.17 9.38 0.00 -0.53 0.32 121.76 129.40 3fim s ALA 199 Ca 0.09 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 3fim s ALA 199 Cb -0.10 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3fim s ALA 199 CO -0.01 -0.08 1.96 -1.13 0.00 0.00 0.00 175.76 176.50 3fim n SER 200 N 1.92 3.58 -3.89 0.00 3.41 0.19 -0.69 113.62 118.12 3fim n SER 200 Ca -0.21 -2.78 -0.17 0.00 -0.26 0.00 0.00 58.87 55.45 3fim n SER 200 Cb 0.56 -1.55 -0.15 0.00 -0.26 0.00 0.00 64.21 62.80 3fim n SER 200 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3fim s VAL 201 N 5.77 0.35 -0.01 -3.33 1.01 -1.07 -0.74 120.40 122.37 3fim s VAL 201 Ca 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3fim s VAL 201 Cb 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.12 3fim s VAL 201 CO 0.06 0.15 0.02 -0.83 0.00 0.00 0.00 175.10 174.50 3fim s GLY 202 N 0.51 0.08 -1.48 4.51 0.00 -0.42 -3.66 107.32 106.87 3fim s GLY 202 Ca -0.06 0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 3fim s GLY 202 CO -0.01 0.47 1.04 -2.01 0.00 0.00 0.00 173.10 172.59 3fim n ASN 203 N 3.83 -5.16 0.00 1.64 5.15 -1.26 -1.97 115.26 117.48 3fim n ASN 203 Ca -0.23 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 3fim n ASN 203 Cb 0.53 -4.23 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 3fim n ASN 203 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fim n GLY 204 N -1.78 0.29 3.28 8.20 0.00 -1.26 -4.84 105.19 109.07 3fim n GLY 204 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3fim n GLY 204 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fim s GLN 205 N -0.94 1.15 0.04 1.61 -2.07 -0.83 -4.42 119.66 114.19 3fim s GLN 205 Ca 0.00 -1.51 -0.38 0.00 -1.82 0.00 0.00 55.36 51.65 3fim s GLN 205 Cb 0.00 -0.66 -0.17 0.00 -1.09 0.00 0.00 33.01 31.09 3fim s GLN 205 CO 0.00 0.04 1.35 -2.13 -1.32 0.00 0.00 175.29 173.23 3fim n ARG 206 N -0.26 1.00 -3.69 9.60 0.63 -0.40 -1.29 116.66 122.24 3fim n ARG 206 Ca -0.09 0.36 -0.39 0.00 -0.92 0.00 0.00 57.85 56.81 3fim n ARG 206 Cb 0.61 -1.99 -0.12 0.00 0.45 0.00 0.00 32.46 31.42 3fim n ARG 206 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3fim s SER 207 N 0.73 5.48 0.54 6.15 0.15 0.08 -4.76 113.70 122.07 3fim s SER 207 Ca 0.87 -1.17 0.03 0.00 0.70 0.00 0.00 55.95 56.38 3fim s SER 207 Cb -1.01 -1.93 0.02 0.00 -1.71 0.00 0.00 66.02 61.40 3fim s SER 207 CO 0.50 -0.38 0.23 -0.94 1.20 0.00 0.00 173.24 173.86 3fim s SER 208 N 1.55 4.42 0.43 5.45 1.04 -1.26 -4.72 113.70 120.61 3fim s SER 208 Ca 0.00 -1.46 0.23 0.00 0.48 0.00 0.00 55.95 55.20 3fim s SER 208 Cb -0.20 0.56 0.87 0.00 0.10 0.00 0.00 66.02 67.35 3fim s SER 208 CO 0.04 -1.04 1.80 0.77 0.98 0.00 0.00 173.24 175.79 3fim h SER 209 N 0.96 0.00 0.05 7.02 4.64 -1.82 -1.09 113.55 123.32 3fim h SER 209 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 3fim h SER 209 Cb 1.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3fim h SER 209 CO 0.64 0.25 -0.45 0.77 -0.87 0.00 0.00 176.83 177.17 3fim h SER 210 N 0.00 0.30 -0.76 4.97 4.64 -1.88 -0.72 113.55 120.10 3fim h SER 210 Ca -0.00 -0.89 0.08 0.00 -0.47 0.00 0.00 61.79 60.50 3fim h SER 210 Cb 0.78 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.71 3fim h SER 210 CO 0.03 1.16 0.43 0.71 -0.87 0.00 0.00 176.83 178.30 3fim h THR 211 N -0.51 0.95 0.13 2.95 1.35 -1.94 0.17 112.91 116.01 3fim h THR 211 Ca -0.07 -0.26 -0.33 0.00 -0.55 0.00 0.00 66.41 65.20 3fim h THR 211 Cb 1.28 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 3fim h THR 211 CO 0.09 0.14 -1.67 0.00 -0.25 0.00 0.00 175.52 173.82 3fim h ALA 212 N 1.40 0.30 0.00 6.62 0.00 -1.28 -3.39 119.26 122.91 3fim h ALA 212 Ca 0.35 -1.19 -0.22 0.00 0.00 0.00 0.00 54.91 53.85 3fim h ALA 212 Cb 0.26 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3fim h ALA 212 CO -0.21 1.17 -1.69 0.66 0.00 0.00 0.00 179.25 179.17 3fim n TYR 213 N -3.46 0.00 -0.02 0.00 4.01 -0.29 -4.73 117.16 112.66 3fim n TYR 213 Ca -0.21 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.38 3fim n TYR 213 Cb 1.05 -0.50 -0.10 0.00 -0.31 0.00 0.00 39.34 39.48 3fim n TYR 213 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3fim h LEU 214 N -0.53 0.39 0.27 7.72 3.38 -1.19 -3.19 115.31 122.17 3fim h LEU 214 Ca -0.34 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 56.93 3fim h LEU 214 Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3fim h LEU 214 CO -0.20 1.04 -0.23 0.03 0.09 0.00 0.00 178.44 179.17 3fim h ARG 215 N -0.22 -0.49 -0.57 1.13 3.08 -0.92 -2.24 114.38 114.15 3fim h ARG 215 Ca -0.04 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.21 3fim h ARG 215 Cb 1.06 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 3fim h ARG 215 CO 0.08 -0.33 0.51 -1.00 -1.07 0.00 0.00 179.97 178.15 3fim h PRO 216 N -0.51 0.00 -0.01 0.04 0.13 -1.76 -2.92 132.00 126.96 3fim h PRO 216 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3fim h PRO 216 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3fim h PRO 216 CO -0.02 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 177.59 3fim n ALA 217 N -2.48 2.89 0.02 -0.56 0.00 -0.88 -4.32 120.51 115.18 3fim n ALA 217 Ca 0.11 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 3fim n ALA 217 Cb 0.73 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 19.12 3fim n ALA 217 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3fim h GLN 218 N 1.68 0.51 0.00 0.00 3.07 -1.27 -1.49 115.11 117.60 3fim h GLN 218 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 58.65 58.43 3fim h GLN 218 Cb 0.51 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.10 3fim h GLN 218 CO 0.00 0.90 0.02 -1.13 0.09 0.00 0.00 178.83 178.71 3fim n SER 219 N -3.96 0.00 -4.69 0.06 3.41 -1.26 -4.83 113.62 102.34 3fim n SER 219 Ca -0.03 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.44 3fim n SER 219 Cb 0.58 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3fim n SER 219 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fim s ARG 220 N -2.55 4.43 0.45 4.33 0.52 -0.56 -4.93 118.95 120.64 3fim s ARG 220 Ca 0.00 1.49 0.31 0.00 -0.52 0.00 0.00 55.73 57.01 3fim s ARG 220 Cb 0.00 -3.52 1.43 0.00 0.52 0.00 0.00 34.95 33.38 3fim s ARG 220 CO 0.00 -0.30 1.93 -1.00 0.02 0.00 0.00 175.30 175.95 3fim h PRO 221 N 7.12 0.00 -0.22 3.54 0.13 -1.90 -2.86 132.00 137.82 3fim h PRO 221 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3fim h PRO 221 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3fim h PRO 221 CO 0.84 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.88 3fim n ASN 222 N -2.72 1.81 -4.35 1.44 6.94 -1.26 -4.81 115.26 112.31 3fim n ASN 222 Ca 0.00 -1.78 -0.33 0.00 -0.02 0.00 0.00 54.58 52.45 3fim n ASN 222 Cb 0.20 -0.14 -0.15 0.00 -2.36 0.00 0.00 39.78 37.33 3fim n ASN 222 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3fim s LEU 223 N -1.44 2.55 -0.05 -4.53 2.96 -1.08 -1.37 118.68 115.72 3fim s LEU 223 Ca 0.31 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3fim s LEU 223 Cb 0.17 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.32 3fim s LEU 223 CO 0.24 0.19 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.84 3fim s SER 224 N 0.20 1.16 -0.17 3.68 0.15 -0.46 -4.83 113.70 113.42 3fim s SER 224 Ca -0.10 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.38 3fim s SER 224 Cb -0.16 -0.53 0.03 0.00 -1.71 0.00 0.00 66.02 63.65 3fim s SER 224 CO 0.06 -0.02 -0.15 -0.69 1.20 0.00 0.00 173.24 173.64 3fim s VAL 225 N 0.75 1.73 -0.11 4.45 1.01 -1.26 -0.43 120.40 126.55 3fim s VAL 225 Ca -0.12 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3fim s VAL 225 Cb -0.14 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3fim s VAL 225 CO 0.01 0.42 -0.15 -0.76 0.00 0.00 0.00 175.10 174.62 3fim s LEU 226 N 1.41 2.64 0.43 3.92 1.43 0.36 -4.97 118.68 123.89 3fim s LEU 226 Ca 0.04 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3fim s LEU 226 Cb -0.14 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3fim s LEU 226 CO -0.11 0.21 0.36 0.27 0.23 0.00 0.00 176.35 177.31 3fim s ILE 227 N 0.09 2.56 -1.50 -0.59 -4.36 -1.26 -0.68 121.20 115.45 3fim s ILE 227 Ca -0.06 -1.39 -0.13 0.00 -0.26 0.00 0.00 60.65 58.81 3fim s ILE 227 Cb -0.15 -2.94 0.07 0.00 1.25 0.00 0.00 42.46 40.69 3fim s ILE 227 CO 0.05 0.00 1.01 0.59 0.24 0.00 0.00 174.94 176.83 3fim n ASN 228 N -1.54 -5.13 -3.67 4.36 5.03 -0.19 -4.87 115.26 109.24 3fim n ASN 228 Ca 0.03 -0.73 -0.29 0.00 0.87 0.00 0.00 54.58 54.46 3fim n ASN 228 Cb 0.62 -4.08 -0.12 0.00 -1.02 0.00 0.00 39.78 35.18 3fim n ASN 228 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fim s ALA 229 N -3.29 2.23 -0.26 5.41 0.00 0.33 -3.88 121.76 122.30 3fim s ALA 229 Ca 0.65 -2.74 -0.23 0.00 0.00 0.00 0.00 51.96 49.64 3fim s ALA 229 Cb -0.32 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 3fim s ALA 229 CO 0.80 -2.05 0.74 -1.14 0.00 0.00 0.00 175.76 174.11 3fim s GLN 230 N 0.03 4.11 -0.03 0.00 0.74 0.14 -3.18 119.66 121.47 3fim s GLN 230 Ca 0.22 0.72 -0.30 0.00 0.05 0.00 0.00 55.36 56.05 3fim s GLN 230 Cb -0.16 -3.66 -0.06 0.00 1.10 0.00 0.00 33.01 30.23 3fim s GLN 230 CO -0.06 -0.51 1.57 0.08 -0.55 0.00 0.00 175.29 175.82 3fim s VAL 231 N 2.73 3.58 -0.46 1.34 1.01 -1.26 -1.14 120.40 126.20 3fim s VAL 231 Ca 0.31 0.82 0.14 0.00 0.00 0.00 0.00 61.98 63.25 3fim s VAL 231 Cb -0.15 -3.53 -0.18 0.00 0.00 0.00 0.00 36.38 32.52 3fim s VAL 231 CO 0.09 -0.05 0.51 0.35 0.00 0.00 0.00 175.10 176.00 3fim n THR 232 N 5.18 0.00 -3.64 3.92 -2.24 -0.04 -4.98 114.28 112.48 3fim n THR 232 Ca 0.16 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 3fim n THR 232 Cb 0.43 0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 3fim n THR 232 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fim s LYS 233 N -2.56 0.72 -0.09 -0.78 2.20 -1.21 -4.83 119.74 113.21 3fim s LYS 233 Ca 0.02 1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 56.44 3fim s LYS 233 Cb 0.10 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 3fim s LYS 233 CO 0.59 -0.12 0.88 -0.51 -0.36 0.00 0.00 175.35 175.83 3fim s LEU 234 N 1.11 4.27 -0.16 5.43 1.43 -1.26 -2.08 118.68 127.43 3fim s LEU 234 Ca -0.06 1.39 -0.07 0.00 -1.03 0.00 0.00 54.13 54.37 3fim s LEU 234 Cb -0.05 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3fim s LEU 234 CO -0.12 -0.31 0.06 -0.69 0.23 0.00 0.00 176.35 175.52 3fim s VAL 235 N 1.52 4.80 -0.66 -1.59 1.01 0.00 -4.78 120.40 120.71 3fim s VAL 235 Ca 0.44 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 3fim s VAL 235 Cb -0.18 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3fim s VAL 235 CO 0.19 0.50 1.46 0.21 0.00 0.00 0.00 175.10 177.46 3fim s ASN 236 N 0.03 5.93 0.01 3.32 2.47 -1.26 -3.71 114.94 121.72 3fim s ASN 236 Ca 0.06 -0.04 0.23 0.00 0.42 0.00 0.00 52.86 53.53 3fim s ASN 236 Cb -0.12 -2.55 0.19 0.00 -1.45 0.00 0.00 41.25 37.32 3fim s ASN 236 CO 0.01 -1.94 1.18 -1.54 -3.72 0.00 0.00 177.10 171.09 3fim n SER 237 N 10.29 0.69 0.00 -4.21 3.41 0.14 -4.96 113.62 118.97 3fim n SER 237 Ca 0.10 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 3fim n SER 237 Cb 0.50 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 3fim n SER 237 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fim n GLY 238 N 1.48 -0.54 2.92 5.00 0.00 -1.19 -4.95 105.19 107.90 3fim n GLY 238 Ca 0.05 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 3fim n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fim s THR 239 N -3.42 0.99 0.01 2.61 2.01 -1.26 0.15 115.64 116.73 3fim s THR 239 Ca 0.00 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.71 3fim s THR 239 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3fim s THR 239 CO 0.00 0.35 -0.02 0.42 -0.69 0.00 0.00 174.62 174.68 3fim s THR 240 N 1.52 0.12 -1.45 -0.82 -4.23 -0.71 -4.82 115.64 105.24 3fim s THR 240 Ca 0.01 -0.58 -0.11 0.00 -1.18 0.00 0.00 61.69 59.83 3fim s THR 240 Cb -0.13 -0.21 0.08 0.00 1.34 0.00 0.00 72.50 73.58 3fim s THR 240 CO -0.06 -0.29 0.72 0.59 -0.54 0.00 0.00 174.62 175.04 3fim n ASN 241 N 2.15 -4.47 -0.23 3.99 3.02 -1.26 -2.03 115.26 116.45 3fim n ASN 241 Ca -0.19 -0.57 -0.03 0.00 -0.03 0.00 0.00 54.58 53.76 3fim n ASN 241 Cb 0.57 -3.62 -0.01 0.00 -0.61 0.00 0.00 39.78 36.11 3fim n ASN 241 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fim n GLY 242 N -1.44 0.52 3.21 7.41 0.00 -1.26 -5.03 105.19 108.61 3fim n GLY 242 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 3fim n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fim s LEU 243 N -0.67 2.44 0.19 0.99 1.43 -0.86 -5.10 118.68 117.10 3fim s LEU 243 Ca 0.00 -0.87 -0.33 0.00 -1.03 0.00 0.00 54.13 51.91 3fim s LEU 243 Cb 0.00 -0.37 -0.13 0.00 0.03 0.00 0.00 46.19 45.72 3fim s LEU 243 CO 0.00 -0.26 1.60 -0.81 0.23 0.00 0.00 176.35 177.11 3fim n PRO 244 N 0.35 2.35 -3.61 1.29 -0.04 -1.26 -1.74 135.00 132.33 3fim n PRO 244 Ca -0.14 0.84 -0.37 0.00 -0.04 0.00 0.00 63.50 63.79 3fim n PRO 244 Cb 0.58 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 3fim n PRO 244 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fim s ALA 245 N 0.79 3.71 -0.58 0.55 0.00 0.12 -0.56 121.76 125.79 3fim s ALA 245 Ca 0.75 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.37 3fim s ALA 245 Cb -0.62 -2.28 0.23 0.00 0.00 0.00 0.00 23.12 20.45 3fim s ALA 245 CO 0.39 0.38 0.61 1.19 0.00 0.00 0.00 175.76 178.33 3fim n PHE 246 N 2.47 2.24 -0.34 0.00 3.01 -0.65 0.24 117.46 124.43 3fim n PHE 246 Ca -0.15 -3.98 0.05 0.00 1.01 0.00 0.00 57.45 54.39 3fim n PHE 246 Cb 0.53 -0.45 0.14 0.00 -0.01 0.00 0.00 39.48 39.69 3fim n PHE 246 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3fim n ARG 247 N 1.38 2.81 -4.36 -1.08 1.74 -1.25 -4.36 116.66 111.54 3fim n ARG 247 Ca 0.26 -2.10 -0.26 0.00 -0.77 0.00 0.00 57.85 54.98 3fim n ARG 247 Cb 0.43 -1.33 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 3fim n ARG 247 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fim s VAL 249 N -1.44 0.58 -0.07 0.00 -7.23 -0.18 -0.82 120.40 111.25 3fim s VAL 249 Ca 0.14 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 3fim s VAL 249 Cb -0.09 -1.61 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 3fim s VAL 249 CO 0.07 -0.88 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.16 3fim s GLU 250 N -3.77 2.28 0.05 4.82 2.02 -0.88 -1.98 118.70 121.24 3fim s GLU 250 Ca 0.10 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.39 3fim s GLU 250 Cb 0.05 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 3fim s GLU 250 CO -0.06 0.22 -0.06 1.52 0.02 0.00 0.00 175.26 176.91 3fim s TYR 251 N 0.18 0.60 0.08 1.61 -0.85 -0.40 -0.87 117.35 117.70 3fim s TYR 251 Ca -0.10 -0.68 -0.08 0.00 -0.52 0.00 0.00 57.07 55.69 3fim s TYR 251 Cb -0.14 -0.37 -0.00 0.00 0.38 0.00 0.00 41.96 41.82 3fim s TYR 251 CO 0.05 -0.17 0.18 0.00 -1.52 0.00 0.00 175.55 174.09 3fim s ALA 252 N -2.23 -0.20 0.13 9.51 0.00 -0.29 -0.74 121.76 127.94 3fim s ALA 252 Ca -0.04 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 3fim s ALA 252 Cb -0.04 0.47 -0.07 0.00 0.00 0.00 0.00 23.12 23.48 3fim s ALA 252 CO -0.02 -0.50 1.38 1.49 0.00 0.00 0.00 175.76 178.11 3fim h GLU 253 N 2.80 0.73 -2.45 0.00 4.81 -1.86 0.39 114.58 119.00 3fim h GLU 253 Ca -0.34 -0.54 0.16 0.00 -0.13 0.00 0.00 59.36 58.51 3fim h GLU 253 Cb 1.20 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 3fim h GLU 253 CO 0.56 1.16 0.49 1.14 -0.73 0.00 0.00 179.01 181.63 3fim s GLN 254 N -3.86 1.31 0.30 1.92 -2.07 -1.26 -4.71 119.66 111.30 3fim s GLN 254 Ca -0.09 -0.77 -0.30 0.00 -1.82 0.00 0.00 55.36 52.38 3fim s GLN 254 Cb 0.10 0.42 -0.12 0.00 -1.09 0.00 0.00 33.01 32.31 3fim s GLN 254 CO 0.88 -0.61 1.52 -1.91 -1.32 0.00 0.00 175.29 173.86 3fim n GLU 255 N -0.54 2.55 0.00 9.60 2.13 -1.26 -1.36 120.64 131.76 3fim n GLU 255 Ca -0.05 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3fim n GLU 255 Cb 0.60 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.67 3fim n GLU 255 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fim n GLY 256 N 1.75 2.49 3.80 8.31 0.00 -1.26 -5.05 105.19 115.23 3fim n GLY 256 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3fim n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fim s ALA 257 N -2.21 2.49 0.49 4.61 0.00 -0.46 -5.00 121.76 121.68 3fim s ALA 257 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.80 3fim s ALA 257 Cb 0.00 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 3fim s ALA 257 CO 0.00 -1.44 1.17 -2.14 0.00 0.00 0.00 175.76 173.35 3fim s PRO 258 N -5.04 3.59 0.07 0.00 0.02 -1.26 -4.95 135.00 127.43 3fim s PRO 258 Ca 0.59 1.77 -0.20 0.00 0.02 0.00 0.00 61.00 63.19 3fim s PRO 258 Cb -0.15 -2.29 -0.07 0.00 0.02 0.00 0.00 34.50 32.02 3fim s PRO 258 CO 0.55 -0.69 0.58 0.95 -0.33 0.00 0.00 177.00 178.07 3fim s THR 259 N -1.58 4.74 0.06 0.99 -4.23 -1.26 -4.72 115.64 109.64 3fim s THR 259 Ca 0.67 1.24 -0.17 0.00 -1.18 0.00 0.00 61.69 62.25 3fim s THR 259 Cb -0.28 -3.91 -0.06 0.00 1.34 0.00 0.00 72.50 69.58 3fim s THR 259 CO 0.34 0.54 0.51 -0.89 -0.54 0.00 0.00 174.62 174.58 3fim s THR 260 N -0.99 4.85 -0.17 3.99 2.01 0.08 -4.88 115.64 120.54 3fim s THR 260 Ca 0.30 1.03 -0.05 0.00 0.31 0.00 0.00 61.69 63.28 3fim s THR 260 Cb -0.20 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3fim s THR 260 CO 0.19 0.51 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.74 3fim s THR 261 N -1.16 4.12 0.07 -0.82 2.01 -1.26 -1.28 115.64 117.32 3fim s THR 261 Ca 0.29 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.07 3fim s THR 261 Cb -0.18 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 3fim s THR 261 CO 0.17 0.48 -0.14 0.68 -0.69 0.00 0.00 174.62 175.12 3fim s VAL 262 N 0.43 1.13 0.09 3.82 -7.23 -0.84 -5.01 120.40 112.80 3fim s VAL 262 Ca -0.02 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 58.96 3fim s VAL 262 Cb -0.14 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3fim s VAL 262 CO 0.02 -0.18 -0.14 0.00 -0.31 0.00 0.00 175.10 174.49 3fim s ALA 264 N -1.14 3.78 0.12 0.00 0.00 -0.50 -4.00 121.76 120.01 3fim s ALA 264 Ca 0.19 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 3fim s ALA 264 Cb -0.11 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 3fim s ALA 264 CO 0.11 0.49 1.56 0.87 0.00 0.00 0.00 175.76 178.79 3fim h LYS 265 N 5.15 0.69 0.00 0.00 1.57 -0.65 -3.42 116.57 119.91 3fim h LYS 265 Ca -0.52 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.03 3fim h LYS 265 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3fim h LYS 265 CO 0.62 0.80 0.00 1.63 -0.57 0.00 0.00 179.45 181.93 3fim n LYS 266 N -4.44 0.00 -3.97 3.15 4.76 -0.20 -5.05 118.16 112.41 3fim n LYS 266 Ca -0.01 0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 3fim n LYS 266 Cb 0.30 -0.27 -0.11 0.00 -1.84 0.00 0.00 35.03 33.12 3fim n LYS 266 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3fim s GLU 267 N -0.33 0.38 -0.12 1.97 2.02 -1.19 -4.79 118.70 116.64 3fim s GLU 267 Ca 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 54.97 54.19 3fim s GLU 267 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.33 3fim s GLU 267 CO 0.00 -0.07 0.43 0.08 0.02 0.00 0.00 175.26 175.71 3fim s VAL 268 N -1.72 5.21 -0.29 2.63 1.01 -0.56 -2.68 120.40 123.99 3fim s VAL 268 Ca -0.13 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 3fim s VAL 268 Cb -0.08 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3fim s VAL 268 CO -0.01 0.35 0.04 -0.69 0.00 0.00 0.00 175.10 174.79 3fim s VAL 269 N 0.50 3.58 -0.20 2.92 1.01 0.32 -1.40 120.40 127.13 3fim s VAL 269 Ca 0.23 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 3fim s VAL 269 Cb -0.15 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 3fim s VAL 269 CO 0.09 0.04 0.93 -0.76 0.00 0.00 0.00 175.10 175.39 3fim s LEU 270 N 1.42 4.13 -0.29 3.92 1.43 0.79 -0.70 118.68 129.39 3fim s LEU 270 Ca 0.00 1.26 0.16 0.00 -1.03 0.00 0.00 54.13 54.53 3fim s LEU 270 Cb -0.18 -3.37 0.48 0.00 0.03 0.00 0.00 46.19 43.15 3fim s LEU 270 CO 0.01 -0.53 1.12 -1.20 0.23 0.00 0.00 176.35 175.97 3fim n SER 271 N 5.77 2.80 -0.22 2.29 7.64 -1.26 -1.01 113.62 129.64 3fim n SER 271 Ca 0.08 -2.74 0.14 0.00 1.01 0.00 0.00 58.87 57.36 3fim n SER 271 Cb 0.47 -0.44 0.59 0.00 -1.01 0.00 0.00 64.21 63.82 3fim n SER 271 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fim n ALA 272 N -0.57 2.76 0.00 -0.43 0.00 -1.26 -2.98 120.51 118.04 3fim n ALA 272 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fim n ALA 272 Cb 0.85 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3fim n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fim n GLY 273 N 1.23 -0.70 0.27 0.00 0.00 -1.26 -3.03 105.19 101.70 3fim n GLY 273 Ca 0.16 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.56 3fim n GLY 273 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fim h SER 274 N 0.00 0.00 0.00 1.61 0.02 -1.87 0.60 113.55 113.90 3fim h SER 274 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 3fim h SER 274 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3fim h SER 274 CO 0.00 0.07 -1.53 0.52 -1.14 0.00 0.00 176.83 174.75 3fim n VAL 275 N -4.02 1.52 -0.33 2.27 0.31 -1.26 -4.51 118.33 112.32 3fim n VAL 275 Ca -0.03 -0.10 0.02 0.00 -0.01 0.00 0.00 64.34 64.22 3fim n VAL 275 Cb 0.16 -2.03 0.19 0.00 -0.91 0.00 0.00 33.84 31.25 3fim n VAL 275 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3fim h GLY 276 N -1.00 1.35 0.40 2.92 0.00 -1.39 -3.15 103.07 102.20 3fim h GLY 276 Ca -0.41 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3fim h GLY 276 CO -0.25 0.38 -0.06 -0.84 0.00 0.00 0.00 176.54 175.77 3fim h THR 277 N 1.15 1.01 -0.99 4.70 2.02 -1.00 -2.87 112.91 116.94 3fim h THR 277 Ca 0.38 -1.16 0.05 0.00 0.77 0.00 0.00 66.41 66.45 3fim h THR 277 Cb 0.05 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 3fim h THR 277 CO -0.12 0.25 0.64 1.55 0.37 0.00 0.00 175.52 178.21 3fim h PRO 278 N -0.78 1.15 -0.38 6.66 0.13 -1.78 -1.95 132.00 135.06 3fim h PRO 278 Ca -0.02 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 3fim h PRO 278 Cb 0.54 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 3fim h PRO 278 CO 0.03 0.76 -0.16 -0.84 -0.23 0.00 0.00 178.00 177.56 3fim h ILE 279 N 1.19 1.26 -0.35 -3.56 3.07 -1.62 -0.16 117.51 117.34 3fim h ILE 279 Ca 0.41 -1.20 -0.07 0.00 1.55 0.00 0.00 64.86 65.55 3fim h ILE 279 Cb 0.10 1.14 -0.01 0.00 -0.27 0.00 0.00 36.82 37.79 3fim h ILE 279 CO -0.15 0.40 -0.06 0.25 -1.05 0.00 0.00 178.15 177.54 3fim h LEU 280 N 0.62 0.65 -0.19 0.16 5.85 -1.27 0.50 115.31 121.64 3fim h LEU 280 Ca 0.10 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3fim h LEU 280 Cb 0.62 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3fim h LEU 280 CO 0.04 0.85 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.89 3fim h LEU 281 N 0.45 -0.15 -0.45 2.25 3.38 -1.05 -1.96 115.31 117.77 3fim h LEU 281 Ca 0.09 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3fim h LEU 281 Cb 0.55 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3fim h LEU 281 CO 0.03 -0.05 0.10 1.56 0.09 0.00 0.00 178.44 180.17 3fim h GLN 282 N 0.01 0.24 -0.03 1.13 4.20 -0.74 -0.06 115.11 119.86 3fim h GLN 282 Ca 0.09 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3fim h GLN 282 Cb 0.13 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3fim h GLN 282 CO -0.18 0.16 0.03 -0.07 -0.67 0.00 0.00 178.83 178.10 3fim h LEU 283 N 0.24 0.00 -2.19 1.46 3.38 -0.69 -1.93 115.31 115.58 3fim h LEU 283 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3fim h LEU 283 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fim h LEU 283 CO -0.28 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.05 3fim n SER 284 N -3.75 3.27 0.00 -0.43 7.64 -0.75 -4.92 113.62 114.67 3fim n SER 284 Ca -0.02 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.89 3fim n SER 284 Cb 0.12 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3fim n SER 284 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fim n GLY 285 N 1.47 0.65 3.20 0.23 0.00 -0.72 -4.75 105.19 105.27 3fim n GLY 285 Ca 0.19 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3fim n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fim s ILE 286 N -2.00 3.49 -4.76 -0.61 1.01 -0.09 -0.45 121.20 117.80 3fim s ILE 286 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.16 3fim s ILE 286 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3fim s ILE 286 CO 0.00 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.20 3fim n GLY 287 N 4.72 -0.94 3.67 6.18 0.00 -0.78 -2.94 105.19 115.09 3fim n GLY 287 Ca -0.10 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3fim n GLY 287 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fim s ASP 288 N -4.00 6.74 0.13 1.61 -1.08 -1.14 -0.87 116.67 118.07 3fim s ASP 288 Ca 0.00 2.14 -0.18 0.00 -0.52 0.00 0.00 52.55 53.99 3fim s ASP 288 Cb 0.00 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 3fim s ASP 288 CO 0.00 -0.86 1.78 -0.08 0.52 0.00 0.00 175.17 176.53 3fim h GLU 289 N 8.93 0.39 -0.35 4.34 4.81 -1.92 -0.18 114.58 130.60 3fim h GLU 289 Ca -0.37 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3fim h GLU 289 Cb 1.17 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3fim h GLU 289 CO 0.95 0.27 0.19 -0.91 -0.73 0.00 0.00 179.01 178.78 3fim h ASN 290 N 0.39 0.30 -0.66 1.04 2.35 -1.98 -0.44 115.58 116.57 3fim h ASN 290 Ca 0.11 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3fim h ASN 290 Cb -0.02 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3fim h ASN 290 CO -0.02 0.22 0.16 0.44 -1.65 0.00 0.00 177.43 176.57 3fim h ASP 291 N 0.39 1.01 -0.54 5.81 3.32 -1.90 -2.04 116.42 122.47 3fim h ASP 291 Ca 0.14 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 3fim h ASP 291 Cb 0.03 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3fim h ASP 291 CO -0.08 0.98 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.27 3fim h LEU 292 N 0.98 1.01 0.00 1.55 3.38 -0.93 -2.97 115.31 118.33 3fim h LEU 292 Ca 0.21 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3fim h LEU 292 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3fim h LEU 292 CO 0.00 1.10 -0.43 0.77 0.09 0.00 0.00 178.44 179.97 3fim h SER 293 N 0.91 0.00 0.21 -0.43 4.64 -0.98 -1.23 113.55 116.68 3fim h SER 293 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3fim h SER 293 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3fim h SER 293 CO 0.04 0.31 0.00 0.77 -0.87 0.00 0.00 176.83 177.08 3fim h SER 294 N 0.00 0.00 -0.26 4.97 4.64 -1.21 -2.15 113.55 119.54 3fim h SER 294 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fim h SER 294 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3fim h SER 294 CO 0.04 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 3fim n VAL 295 N -3.05 1.11 -1.00 0.95 0.24 -1.02 -4.99 118.33 110.57 3fim n VAL 295 Ca -0.02 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 3fim n VAL 295 Cb 0.12 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 3fim n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fim n GLY 296 N 0.19 0.54 3.66 7.63 0.00 -0.81 -3.80 105.19 112.60 3fim n GLY 296 Ca 0.10 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 3fim n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fim s ILE 297 N -2.00 4.55 -0.04 -0.61 1.01 -0.49 -5.00 121.20 118.61 3fim s ILE 297 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 3fim s ILE 297 Cb 0.00 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 3fim s ILE 297 CO 0.00 0.54 0.95 -1.81 0.00 0.00 0.00 174.94 174.62 3fim s ASP 298 N -0.27 7.27 -0.08 3.58 1.01 -1.26 -3.46 116.67 123.46 3fim s ASP 298 Ca 0.07 1.55 -0.30 0.00 0.71 0.00 0.00 52.55 54.58 3fim s ASP 298 Cb -0.12 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 3fim s ASP 298 CO 0.02 -0.30 1.05 -0.89 0.21 0.00 0.00 175.17 175.26 3fim s THR 299 N 1.30 4.67 -0.23 -1.27 2.01 -1.26 -4.42 115.64 116.44 3fim s THR 299 Ca 0.49 1.94 -0.08 0.00 0.31 0.00 0.00 61.69 64.35 3fim s THR 299 Cb -0.20 -4.25 -0.18 0.00 0.01 0.00 0.00 72.50 67.88 3fim s THR 299 CO 0.23 0.03 -0.06 -0.38 -0.69 0.00 0.00 174.62 173.75 3fim n ILE 300 N 4.46 1.58 -3.99 1.82 5.41 0.41 -4.87 119.36 124.17 3fim n ILE 300 Ca 0.09 -0.46 -0.31 0.00 1.00 0.00 0.00 62.75 63.07 3fim n ILE 300 Cb 0.48 -1.70 -0.16 0.00 -0.71 0.00 0.00 39.64 37.55 3fim n ILE 300 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3fim s VAL 301 N -2.50 1.66 -0.67 1.39 1.01 -0.81 -5.05 120.40 115.43 3fim s VAL 301 Ca -0.32 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 3fim s VAL 301 Cb 0.10 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.75 3fim s VAL 301 CO 0.61 0.13 1.24 0.21 0.00 0.00 0.00 175.10 177.29 3fim s ASN 302 N 1.38 6.29 -0.28 3.32 2.47 -1.26 -1.87 114.94 124.99 3fim s ASN 302 Ca -0.02 -0.20 -0.04 0.00 0.42 0.00 0.00 52.86 53.02 3fim s ASN 302 Cb -0.17 -2.56 0.09 0.00 -1.45 0.00 0.00 41.25 37.17 3fim s ASN 302 CO -0.08 -1.67 0.12 0.21 -3.72 0.00 0.00 177.10 171.95 3fim s ASN 303 N 3.39 3.48 0.40 -4.21 3.84 -0.05 -4.89 114.94 116.90 3fim s ASN 303 Ca 0.38 -1.26 0.28 0.00 0.21 0.00 0.00 52.86 52.47 3fim s ASN 303 Cb -0.08 -0.43 1.36 0.00 -0.55 0.00 0.00 41.25 41.55 3fim s ASN 303 CO 0.20 -0.42 1.85 -0.65 -2.79 0.00 0.00 177.10 175.29 3fim h PRO 304 N 8.35 0.00 0.00 0.43 0.11 -1.94 -2.58 132.00 136.37 3fim h PRO 304 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3fim h PRO 304 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fim h PRO 304 CO 0.43 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.65 3fim n SER 305 N -2.53 0.70 -4.61 -2.05 7.64 -1.26 -4.56 113.62 106.95 3fim n SER 305 Ca -0.00 0.68 -0.43 0.00 1.01 0.00 0.00 58.87 60.13 3fim n SER 305 Cb 0.15 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 3fim n SER 305 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3fim s VAL 306 N -3.36 3.25 0.00 0.44 1.01 -0.98 -1.71 120.40 119.05 3fim s VAL 306 Ca 0.03 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3fim s VAL 306 Cb 0.09 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3fim s VAL 306 CO 0.38 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3fim n GLY 307 N 5.41 0.77 4.00 4.51 0.00 0.06 -4.75 105.19 115.20 3fim n GLY 307 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3fim n GLY 307 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fim s ARG 308 N -0.69 1.93 -1.55 1.61 0.52 -0.69 -0.14 118.95 119.94 3fim s ARG 308 Ca 0.00 -1.22 -0.05 0.00 -0.52 0.00 0.00 55.73 53.95 3fim s ARG 308 Cb 0.00 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 33.05 3fim s ARG 308 CO 0.00 -1.21 0.60 -1.71 0.02 0.00 0.00 175.30 173.00 3fim n ASN 309 N -2.62 -6.02 -4.66 0.23 5.15 -1.19 -3.87 115.26 102.28 3fim n ASN 309 Ca 0.14 -0.29 -0.43 0.00 -0.60 0.00 0.00 54.58 53.40 3fim n ASN 309 Cb 0.61 -4.87 -0.02 0.00 -0.53 0.00 0.00 39.78 34.97 3fim n ASN 309 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3fim s LEU 310 N -6.69 4.17 0.17 1.20 2.96 -0.95 -4.14 118.68 115.42 3fim s LEU 310 Ca 0.31 1.64 0.07 0.00 -0.22 0.00 0.00 54.13 55.93 3fim s LEU 310 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3fim s LEU 310 CO 0.38 -0.73 0.01 -0.44 -1.32 0.00 0.00 176.35 174.25 3fim s SER 311 N 1.79 4.84 0.26 3.68 0.01 -0.89 -0.81 113.70 122.58 3fim s SER 311 Ca 0.53 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 57.27 3fim s SER 311 Cb -0.21 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 64.97 3fim s SER 311 CO 0.14 0.09 0.55 -0.62 0.41 0.00 0.00 173.24 173.81 3fim s ASP 312 N -2.94 -0.10 -0.35 2.44 2.15 -1.26 -1.93 116.67 114.67 3fim s ASP 312 Ca 0.28 -0.87 -0.12 0.00 0.43 0.00 0.00 52.55 52.27 3fim s ASP 312 Cb -0.09 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 3fim s ASP 312 CO 0.19 -1.22 0.21 -1.00 -0.17 0.00 0.00 175.17 173.19 3fim s HIS 313 N -3.91 3.22 0.63 -5.34 3.76 -1.26 -4.78 115.29 107.61 3fim s HIS 313 Ca 0.19 -0.55 -0.16 0.00 -0.15 0.00 0.00 55.06 54.40 3fim s HIS 313 Cb -0.02 -2.45 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 3fim s HIS 313 CO 0.09 -0.49 1.10 -0.48 -0.85 0.00 0.00 174.74 174.11 3fim s LEU 314 N 1.64 3.45 -0.09 0.89 0.05 -1.26 -1.54 118.68 121.83 3fim s LEU 314 Ca 0.05 1.99 0.02 0.00 0.05 0.00 0.00 54.13 56.23 3fim s LEU 314 Cb -0.18 -4.55 -0.02 0.00 -2.05 0.00 0.00 46.19 39.39 3fim s LEU 314 CO 0.08 -1.51 -0.14 -0.22 -0.55 0.00 0.00 176.35 174.02 3fim s LEU 315 N -4.67 2.72 -0.22 1.48 0.20 -0.90 -1.81 118.68 115.48 3fim s LEU 315 Ca 0.67 -0.27 -0.00 0.00 0.69 0.00 0.00 54.13 55.22 3fim s LEU 315 Cb -0.20 -1.58 0.02 0.00 -0.43 0.00 0.00 46.19 44.00 3fim s LEU 315 CO 0.39 0.25 -0.11 -0.22 -0.29 0.00 0.00 176.35 176.37 3fim s LEU 316 N -0.16 2.83 0.30 -0.68 2.96 0.13 -0.51 118.68 123.55 3fim s LEU 316 Ca -0.01 -0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 53.07 3fim s LEU 316 Cb -0.13 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 3fim s LEU 316 CO 0.03 -0.08 0.54 -2.16 -1.32 0.00 0.00 176.35 173.37 3fim s PRO 317 N 1.30 3.59 -0.30 0.98 0.04 -1.26 -0.38 135.00 138.97 3fim s PRO 317 Ca 0.01 -0.09 -0.10 0.00 0.04 0.00 0.00 61.00 60.86 3fim s PRO 317 Cb -0.16 -2.66 0.15 0.00 0.04 0.00 0.00 34.50 31.88 3fim s PRO 317 CO -0.07 0.21 0.77 0.00 0.04 0.00 0.00 177.00 177.95 3fim s ALA 318 N -2.13 -2.37 0.12 8.56 0.00 -1.14 -4.97 121.76 119.83 3fim s ALA 318 Ca 0.43 2.12 -0.03 0.00 0.00 0.00 0.00 51.96 54.47 3fim s ALA 318 Cb -0.10 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 3fim s ALA 318 CO 0.31 -1.04 0.33 0.00 0.00 0.00 0.00 175.76 175.37 3fim s ALA 319 N 2.76 3.85 -0.03 0.00 0.00 -1.26 -1.14 121.76 125.94 3fim s ALA 319 Ca -0.00 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3fim s ALA 319 Cb -0.11 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.98 3fim s ALA 319 CO -0.18 0.72 -0.05 -0.06 0.00 0.00 0.00 175.76 176.18 3fim s PHE 320 N -1.62 0.69 0.40 0.00 0.08 -0.41 -0.35 117.98 116.77 3fim s PHE 320 Ca 0.39 -0.17 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 3fim s PHE 320 Cb -0.12 -0.56 -0.10 0.00 -0.57 0.00 0.00 43.02 41.67 3fim s PHE 320 CO 0.26 -0.12 1.43 -0.06 -0.10 0.00 0.00 175.22 176.63 3fim s PHE 321 N 0.49 2.61 0.06 0.36 0.08 -0.05 -1.58 117.98 119.95 3fim s PHE 321 Ca -0.06 1.25 0.04 0.00 0.12 0.00 0.00 56.93 58.27 3fim s PHE 321 Cb -0.10 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.40 3fim s PHE 321 CO 0.00 -2.78 -0.11 0.14 -0.10 0.00 0.00 175.22 172.37 3fim s VAL 322 N -1.16 0.85 -1.13 -0.44 -7.23 -0.35 -0.94 120.40 110.00 3fim s VAL 322 Ca 0.56 -1.27 -0.17 0.00 -1.81 0.00 0.00 61.98 59.28 3fim s VAL 322 Cb -0.44 -0.94 0.12 0.00 0.56 0.00 0.00 36.38 35.68 3fim s VAL 322 CO 0.58 -0.35 1.42 0.21 -0.31 0.00 0.00 175.10 176.66 3fim s ASN 323 N -1.80 6.82 -0.22 4.85 2.47 0.13 -4.60 114.94 122.59 3fim s ASN 323 Ca -0.04 -2.40 -0.27 0.00 0.42 0.00 0.00 52.86 50.58 3fim s ASN 323 Cb -0.09 -2.46 0.08 0.00 -1.45 0.00 0.00 41.25 37.33 3fim s ASN 323 CO 0.01 -1.03 0.77 -0.55 -3.72 0.00 0.00 177.10 172.58 3fim s SER 324 N 3.66 -0.67 -0.24 -4.21 0.15 -1.26 -4.80 113.70 106.33 3fim s SER 324 Ca 0.43 1.15 0.14 0.00 0.70 0.00 0.00 55.95 58.37 3fim s SER 324 Cb -0.01 1.12 0.71 0.00 -1.71 0.00 0.00 66.02 66.13 3fim s SER 324 CO -0.02 -0.32 1.66 -0.46 1.20 0.00 0.00 173.24 175.30 3fim n ASN 325 N 2.14 4.88 -0.28 5.45 0.23 -1.26 -4.59 115.26 121.83 3fim n ASN 325 Ca -0.15 -3.06 0.09 0.00 -0.53 0.00 0.00 54.58 50.93 3fim n ASN 325 Cb 0.56 -0.66 0.16 0.00 -2.08 0.00 0.00 39.78 37.75 3fim n ASN 325 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fim n GLN 326 N 0.04 1.89 -1.95 -3.83 6.02 -1.26 -5.02 117.38 113.28 3fim n GLN 326 Ca 0.29 -2.52 -0.29 0.00 -0.01 0.00 0.00 57.00 54.47 3fim n GLN 326 Cb 1.15 -1.53 0.06 0.00 1.02 0.00 0.00 30.24 30.95 3fim n GLN 326 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3fim s THR 327 N -2.62 2.97 -2.46 5.09 -4.23 -1.26 -4.72 115.64 108.40 3fim s THR 327 Ca 0.31 0.25 0.27 0.00 -1.18 0.00 0.00 61.69 61.35 3fim s THR 327 Cb 0.26 -3.30 0.55 0.00 1.34 0.00 0.00 72.50 71.35 3fim s THR 327 CO 0.05 -0.39 1.73 0.49 -0.54 0.00 0.00 174.62 175.96 3fim n PHE 328 N -3.07 0.02 -0.21 3.99 3.72 0.39 -4.42 117.46 117.89 3fim n PHE 328 Ca 0.07 -0.01 -0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3fim n PHE 328 Cb 0.59 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.22 3fim n PHE 328 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3fim h ASP 329 N 2.29 0.43 0.97 4.37 3.32 -1.92 -2.56 116.42 123.33 3fim h ASP 329 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fim h ASP 329 Cb 0.49 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3fim h ASP 329 CO 0.00 0.28 -0.02 0.78 -1.72 0.00 0.00 179.24 178.55 3fim h ASN 330 N 0.58 0.00 -0.95 6.45 2.35 -1.93 -2.40 115.58 119.68 3fim h ASN 330 Ca 0.29 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.09 3fim h ASN 330 Cb 0.23 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 3fim h ASN 330 CO -0.21 0.02 0.61 0.40 -1.65 0.00 0.00 177.43 176.60 3fim h ILE 331 N 0.00 1.10 0.00 2.81 2.04 -1.74 0.34 117.51 122.06 3fim h ILE 331 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3fim h ILE 331 Cb 0.52 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3fim h ILE 331 CO 0.00 0.21 0.00 0.49 0.00 0.00 0.00 178.15 178.85 3fim n PHE 332 N -4.53 0.00 -0.01 1.37 3.72 -0.91 -4.16 117.46 112.95 3fim n PHE 332 Ca 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.53 3fim n PHE 332 Cb 0.15 -0.41 -0.01 0.00 -0.94 0.00 0.00 39.48 38.27 3fim n PHE 332 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3fim n ARG 333 N -1.41 3.51 -3.80 -1.08 1.74 -0.68 -4.98 116.66 109.96 3fim n ARG 333 Ca 0.10 -0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.81 3fim n ARG 333 Cb 0.29 -1.04 -0.12 0.00 -1.02 0.00 0.00 32.46 30.57 3fim n ARG 333 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fim s ASP 334 N -3.12 5.18 0.29 0.55 2.15 0.11 -5.00 116.67 116.82 3fim s ASP 334 Ca -0.01 -1.45 0.03 0.00 0.43 0.00 0.00 52.55 51.55 3fim s ASP 334 Cb 0.00 -1.81 0.63 0.00 -0.30 0.00 0.00 42.92 41.44 3fim s ASP 334 CO 0.06 -0.38 1.82 0.28 -0.17 0.00 0.00 175.17 176.78 3fim h SER 335 N 8.11 0.87 -0.58 -0.34 0.02 -1.84 -1.82 113.55 117.97 3fim h SER 335 Ca -0.20 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3fim h SER 335 Cb 1.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 3fim h SER 335 CO 0.62 0.42 0.34 0.28 -1.14 0.00 0.00 176.83 177.35 3fim h SER 336 N 0.91 0.72 -0.04 3.07 0.02 -1.95 -1.41 113.55 114.87 3fim h SER 336 Ca 0.52 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.38 3fim h SER 336 Cb 0.63 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3fim h SER 336 CO -0.30 0.57 -0.18 -0.08 -1.14 0.00 0.00 176.83 175.70 3fim h GLU 337 N 0.83 0.19 -0.48 3.45 4.81 -1.68 -2.45 114.58 119.25 3fim h GLU 337 Ca 0.21 -0.15 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3fim h GLU 337 Cb -0.00 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 3fim h GLU 337 CO -0.04 0.80 -0.12 0.35 -0.73 0.00 0.00 179.01 179.27 3fim h PHE 338 N -0.37 -0.26 -0.24 0.92 3.57 -1.27 -2.24 116.94 117.05 3fim h PHE 338 Ca -0.01 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3fim h PHE 338 Cb 0.83 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3fim h PHE 338 CO 0.14 -0.21 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.89 3fim h ASN 339 N -0.00 0.42 -0.59 0.41 2.35 -1.23 0.96 115.58 117.90 3fim h ASN 339 Ca 0.23 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3fim h ASN 339 Cb 0.36 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3fim h ASN 339 CO -0.50 0.63 0.11 0.58 -1.65 0.00 0.00 177.43 176.60 3fim h VAL 340 N 0.38 1.26 -0.04 2.81 2.07 -1.07 -1.32 116.25 120.33 3fim h VAL 340 Ca 0.06 -0.97 -0.21 0.00 0.82 0.00 0.00 66.70 66.40 3fim h VAL 340 Cb 0.58 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3fim h VAL 340 CO 0.04 0.36 -0.86 0.44 0.02 0.00 0.00 177.57 177.56 3fim h ASP 341 N 0.87 0.57 -0.22 0.57 3.32 -0.92 -2.49 116.42 118.12 3fim h ASP 341 Ca 0.18 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.84 3fim h ASP 341 Cb 0.40 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3fim h ASP 341 CO 0.01 1.20 -0.02 0.25 -1.72 0.00 0.00 179.24 178.97 3fim h LEU 342 N 0.28 -0.12 -0.79 1.55 5.85 -0.84 -0.66 115.31 120.57 3fim h LEU 342 Ca -0.06 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3fim h LEU 342 Cb 1.48 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.55 3fim h LEU 342 CO 0.15 -0.03 0.47 0.44 -0.34 0.00 0.00 178.44 179.13 3fim h ASP 343 N 0.05 0.71 -0.47 1.25 3.32 -1.11 -0.51 116.42 119.66 3fim h ASP 343 Ca 0.10 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3fim h ASP 343 Cb 0.14 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3fim h ASP 343 CO -0.19 0.45 -0.03 -0.61 -1.72 0.00 0.00 179.24 177.13 3fim h GLN 344 N 0.84 0.85 -0.25 3.56 4.15 -1.36 -2.43 115.11 120.48 3fim h GLN 344 Ca 0.36 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3fim h GLN 344 Cb 0.22 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3fim h GLN 344 CO -0.19 0.92 0.11 2.35 -1.93 0.00 0.00 178.83 180.08 3fim h TRP 345 N 0.70 0.37 -0.58 3.99 7.01 -0.69 -1.28 115.95 125.48 3fim h TRP 345 Ca 0.13 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.14 3fim h TRP 345 Cb 0.55 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 3fim h TRP 345 CO 0.04 0.38 0.33 1.15 -2.79 0.00 0.00 178.44 177.55 3fim h THR 346 N 0.26 1.01 0.00 2.65 2.02 -1.10 0.32 112.91 118.07 3fim h THR 346 Ca 0.08 -0.22 -0.24 0.00 0.77 0.00 0.00 66.41 66.81 3fim h THR 346 Cb 0.16 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3fim h THR 346 CO -0.01 0.12 -1.25 0.78 0.37 0.00 0.00 175.52 175.52 3fim h ASN 347 N 0.64 0.01 0.00 4.18 2.35 -1.40 -3.41 115.58 117.94 3fim h ASN 347 Ca 0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3fim h ASN 347 Cb 0.09 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3fim h ASN 347 CO -0.13 1.01 0.00 0.35 -1.65 0.00 0.00 177.43 177.01 3fim n THR 348 N -3.25 0.00 -3.79 2.81 -2.24 -0.49 -5.02 114.28 102.31 3fim n THR 348 Ca -0.06 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 3fim n THR 348 Cb 0.98 1.27 0.02 0.00 -2.10 0.00 0.00 70.33 70.50 3fim n THR 348 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fim n ARG 349 N -0.18 -4.98 -4.48 -0.78 5.12 0.11 -5.00 116.66 106.48 3fim n ARG 349 Ca 0.00 0.58 -0.23 0.00 -1.93 0.00 0.00 57.85 56.27 3fim n ARG 349 Cb 0.07 -5.44 -0.10 0.00 -1.16 0.00 0.00 32.46 25.83 3fim n ARG 349 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fim s THR 350 N -3.23 1.11 0.00 0.55 -4.23 -1.26 -4.27 115.64 104.32 3fim s THR 350 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3fim s THR 350 Cb -0.31 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3fim s THR 350 CO 0.75 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 3fim n GLY 351 N -0.77 -1.73 0.40 3.99 0.00 -1.26 -3.43 105.19 102.40 3fim n GLY 351 Ca -0.04 -2.02 0.22 0.00 0.00 0.00 0.00 46.02 44.18 3fim n GLY 351 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fim h PRO 352 N 0.00 0.00 0.00 1.61 0.11 -1.95 -1.68 132.00 130.09 3fim h PRO 352 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fim h PRO 352 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3fim h PRO 352 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3fim n LEU 353 N -4.31 0.44 -0.17 2.35 4.77 -1.26 -1.18 117.00 117.64 3fim n LEU 353 Ca 0.12 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.81 3fim n LEU 353 Cb 0.70 -0.48 0.50 0.00 -2.33 0.00 0.00 43.42 41.81 3fim n LEU 353 CO 0.37 -0.30 0.77 0.35 -1.33 0.00 0.00 177.39 177.25 3fim n THR 354 N -1.95 0.00 -2.07 -5.08 -2.24 -0.63 -0.97 114.28 101.34 3fim n THR 354 Ca 0.04 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.39 3fim n THR 354 Cb 0.29 0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.66 3fim n THR 354 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fim s ALA 355 N -2.50 2.62 0.51 6.98 0.00 -0.32 -4.36 121.76 124.69 3fim s ALA 355 Ca 0.26 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 3fim s ALA 355 Cb 0.20 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3fim s ALA 355 CO 0.50 -0.94 0.76 -0.51 0.00 0.00 0.00 175.76 175.56 3fim s LEU 356 N -4.22 3.46 0.34 0.00 1.43 -1.26 -3.05 118.68 115.38 3fim s LEU 356 Ca 0.70 0.36 0.10 0.00 -1.03 0.00 0.00 54.13 54.26 3fim s LEU 356 Cb -0.22 -3.22 0.87 0.00 0.03 0.00 0.00 46.19 43.66 3fim s LEU 356 CO 0.33 -0.88 1.79 -0.29 0.23 0.00 0.00 176.35 177.52 3fim h ILE 357 N 0.17 0.66 -2.48 -0.59 6.09 -1.91 -3.44 117.51 116.01 3fim h ILE 357 Ca -0.45 -0.21 -0.09 0.00 -1.37 0.00 0.00 64.86 62.73 3fim h ILE 357 Cb 1.26 -0.02 -0.23 0.00 0.47 0.00 0.00 36.82 38.30 3fim h ILE 357 CO 0.58 0.11 -0.12 0.00 -3.07 0.00 0.00 178.15 175.65 3fim s ALA 358 N -5.71 -1.29 -0.73 0.18 0.00 -1.26 -4.28 121.76 108.66 3fim s ALA 358 Ca -0.10 1.51 0.24 0.00 0.00 0.00 0.00 51.96 53.61 3fim s ALA 358 Cb 0.25 -0.88 0.32 0.00 0.00 0.00 0.00 23.12 22.80 3fim s ALA 358 CO 0.80 -0.25 1.28 0.09 0.00 0.00 0.00 175.76 177.67 3fim n ASN 359 N 3.00 0.62 -3.91 0.00 4.13 -1.26 -4.72 115.26 113.13 3fim n ASN 359 Ca -0.15 -0.06 -0.10 0.00 1.68 0.00 0.00 54.58 55.95 3fim n ASN 359 Cb 0.56 0.33 -0.10 0.00 -1.54 0.00 0.00 39.78 39.03 3fim n ASN 359 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3fim s HIS 360 N -3.13 0.12 -0.02 3.10 3.76 -1.26 -0.92 115.29 116.95 3fim s HIS 360 Ca 0.07 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 3fim s HIS 360 Cb 0.15 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.76 3fim s HIS 360 CO 0.73 -0.26 0.00 -0.51 -0.85 0.00 0.00 174.74 173.85 3fim s LEU 361 N -1.47 1.44 -0.18 0.89 1.43 -0.57 -3.55 118.68 116.68 3fim s LEU 361 Ca -0.14 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3fim s LEU 361 Cb -0.08 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.99 3fim s LEU 361 CO 0.00 -0.07 -0.00 0.00 0.23 0.00 0.00 176.35 176.52 3fim s ALA 362 N 0.65 3.08 -0.18 4.21 0.00 0.29 -1.62 121.76 128.19 3fim s ALA 362 Ca -0.06 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3fim s ALA 362 Cb -0.09 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3fim s ALA 362 CO -0.01 0.04 -0.12 -1.58 0.00 0.00 0.00 175.76 174.08 3fim s TRP 363 N 0.66 2.85 0.08 0.00 0.52 -0.09 -0.55 118.94 122.41 3fim s TRP 363 Ca -0.00 -1.12 0.03 0.00 0.02 0.00 0.00 56.10 55.02 3fim s TRP 363 Cb -0.14 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 3fim s TRP 363 CO 0.02 -0.56 -0.09 -0.51 0.02 0.00 0.00 176.95 175.83 3fim s LEU 364 N 1.13 2.36 0.12 2.99 1.43 0.02 -1.12 118.68 125.61 3fim s LEU 364 Ca 0.01 -0.73 0.10 0.00 -1.03 0.00 0.00 54.13 52.47 3fim s LEU 364 Cb -0.14 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 3fim s LEU 364 CO -0.04 -0.26 -0.24 -0.13 0.23 0.00 0.00 176.35 175.91 3fim s ARG 365 N -2.44 1.29 0.65 1.70 0.52 -1.26 -0.27 118.95 119.13 3fim s ARG 365 Ca 0.00 -1.28 -0.18 0.00 -0.52 0.00 0.00 55.73 53.75 3fim s ARG 365 Cb -0.05 -1.66 -0.01 0.00 0.52 0.00 0.00 34.95 33.75 3fim s ARG 365 CO -0.00 0.39 1.29 -0.51 0.02 0.00 0.00 175.30 176.49 3fim s LEU 366 N -2.05 3.58 0.36 2.53 1.43 -1.26 -4.97 118.68 118.29 3fim s LEU 366 Ca 0.11 2.63 -0.26 0.00 -1.03 0.00 0.00 54.13 55.58 3fim s LEU 366 Cb -0.10 -4.62 -0.12 0.00 0.03 0.00 0.00 46.19 41.38 3fim s LEU 366 CO 0.06 -2.00 1.06 -2.65 0.23 0.00 0.00 176.35 173.04 3fim n PRO 367 N -1.90 1.50 -0.28 1.29 -0.02 -1.26 -4.88 135.00 129.44 3fim n PRO 367 Ca 0.16 0.53 0.27 0.00 -2.02 0.00 0.00 63.50 62.44 3fim n PRO 367 Cb 0.48 -2.03 0.63 0.00 -0.02 0.00 0.00 33.50 32.56 3fim n PRO 367 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3fim h SER 368 N 1.88 0.21 -0.69 2.55 0.02 -2.05 -2.10 113.55 113.37 3fim h SER 368 Ca -0.43 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3fim h SER 368 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3fim h SER 368 CO 0.59 0.05 0.00 -0.46 -1.14 0.00 0.00 176.83 175.87 3fim n ASN 369 N -4.40 4.53 -4.56 3.07 6.94 -1.26 -5.00 115.26 114.58 3fim n ASN 369 Ca 0.23 -2.29 -0.56 0.00 -0.02 0.00 0.00 54.58 51.95 3fim n ASN 369 Cb 0.98 -0.56 -0.07 0.00 -2.36 0.00 0.00 39.78 37.78 3fim n ASN 369 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3fim n SER 370 N 1.36 0.96 0.10 0.53 2.88 -0.79 -4.87 113.62 113.78 3fim n SER 370 Ca 0.26 1.14 0.20 0.00 -1.33 0.00 0.00 58.87 59.14 3fim n SER 370 Cb 0.80 -1.06 0.74 0.00 -0.75 0.00 0.00 64.21 63.94 3fim n SER 370 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3fim h SER 371 N 4.02 0.00 0.32 -3.46 4.64 -1.95 -2.11 113.55 115.01 3fim h SER 371 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 3fim h SER 371 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3fim h SER 371 CO 0.74 0.00 -0.10 -0.29 -0.87 0.00 0.00 176.83 176.30 3fim h ILE 372 N 0.00 0.56 0.00 0.95 6.09 -1.97 -1.80 117.51 121.33 3fim h ILE 372 Ca 0.19 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3fim h ILE 372 Cb 1.11 1.30 0.00 0.00 0.47 0.00 0.00 36.82 39.70 3fim h ILE 372 CO -0.00 0.10 0.00 0.49 -3.07 0.00 0.00 178.15 175.67 3fim n PHE 373 N -3.67 0.08 0.28 2.19 3.72 -0.79 -1.65 117.46 117.61 3fim n PHE 373 Ca -0.02 0.02 0.17 0.00 -0.05 0.00 0.00 57.45 57.57 3fim n PHE 373 Cb 0.22 -0.54 0.70 0.00 -0.94 0.00 0.00 39.48 38.92 3fim n PHE 373 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3fim h GLN 374 N 0.00 0.00 0.00 -1.08 4.20 -1.50 -3.35 115.11 113.39 3fim h GLN 374 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fim h GLN 374 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3fim h GLN 374 CO 0.00 0.03 0.00 0.25 -0.67 0.00 0.00 178.83 178.44 3fim n THR 375 N -3.16 0.00 -5.20 -0.54 -2.24 -1.08 -5.04 114.28 97.02 3fim n THR 375 Ca 0.00 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 3fim n THR 375 Cb 0.30 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.47 3fim n THR 375 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3fim s PHE 376 N -0.45 2.51 0.63 4.78 0.08 -0.66 -5.13 117.98 119.74 3fim s PHE 376 Ca 0.00 -0.78 -0.17 0.00 0.12 0.00 0.00 56.93 56.10 3fim s PHE 376 Cb 0.00 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 3fim s PHE 376 CO 0.00 -0.25 1.19 -1.25 -0.10 0.00 0.00 175.22 174.81 3fim s PRO 377 N -0.02 2.78 -0.01 0.24 0.04 -1.26 -4.45 135.00 132.31 3fim s PRO 377 Ca -0.07 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3fim s PRO 377 Cb -0.15 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 3fim s PRO 377 CO 0.05 -1.34 1.97 0.34 0.04 0.00 0.00 177.00 178.06 3fim s ASP 378 N -1.83 6.32 0.00 6.66 2.15 -1.26 -4.90 116.67 123.81 3fim s ASP 378 Ca 0.75 2.50 0.31 0.00 0.43 0.00 0.00 52.55 56.54 3fim s ASP 378 Cb -0.28 -2.53 1.76 0.00 -0.30 0.00 0.00 42.92 41.57 3fim s ASP 378 CO 0.37 -1.18 2.15 -0.81 -0.17 0.00 0.00 175.17 175.52 3fim n PRO 379 N 7.69 1.05 -1.74 4.34 -0.04 -1.26 -4.91 135.00 140.12 3fim n PRO 379 Ca 0.21 -0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 3fim n PRO 379 Cb 0.42 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 3fim n PRO 379 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fim s ALA 380 N -2.04 2.54 0.57 0.55 0.00 -1.26 -4.86 121.76 117.25 3fim s ALA 380 Ca 0.45 1.28 0.30 0.00 0.00 0.00 0.00 51.96 53.99 3fim s ALA 380 Cb 0.22 -3.57 1.45 0.00 0.00 0.00 0.00 23.12 21.22 3fim s ALA 380 CO 0.37 -1.54 1.85 0.00 0.00 0.00 0.00 175.76 176.44 3fim h ALA 381 N 0.87 2.55 -1.95 0.00 0.00 -1.91 -3.46 119.26 115.36 3fim h ALA 381 Ca -0.51 -0.02 0.42 0.00 0.00 0.00 0.00 54.91 54.79 3fim h ALA 381 Cb 1.33 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 3fim h ALA 381 CO 0.55 -0.98 1.03 0.20 0.00 0.00 0.00 179.25 180.04 3fim s GLY 382 N -3.89 -0.23 0.31 0.00 0.00 -1.26 -4.79 107.32 97.46 3fim s GLY 382 Ca -0.04 0.20 0.24 0.00 0.00 0.00 0.00 44.72 45.12 3fim s GLY 382 CO 0.65 6.81 1.72 -0.56 0.00 0.00 0.00 173.10 181.72 3fim h PRO 383 N 2.00 0.00 -0.70 2.90 0.13 -2.00 -2.74 132.00 131.58 3fim h PRO 383 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3fim h PRO 383 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3fim h PRO 383 CO 0.29 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.15 3fim n ASN 384 N -2.32 3.94 -4.89 1.44 3.02 -1.26 -4.97 115.26 110.22 3fim n ASN 384 Ca 0.00 -2.03 -0.20 0.00 -0.03 0.00 0.00 54.58 52.32 3fim n ASN 384 Cb 0.14 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 3fim n ASN 384 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fim s SER 385 N -1.00 5.19 0.33 6.41 0.01 -1.04 -4.28 113.70 119.33 3fim s SER 385 Ca 0.47 -0.64 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 3fim s SER 385 Cb 0.25 -0.68 -0.06 0.00 0.21 0.00 0.00 66.02 65.74 3fim s SER 385 CO 0.31 -0.59 0.65 0.00 0.41 0.00 0.00 173.24 174.02 3fim s ALA 386 N -2.42 3.49 -0.21 1.44 0.00 -1.26 -4.82 121.76 117.98 3fim s ALA 386 Ca 0.47 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3fim s ALA 386 Cb -0.05 -2.51 -0.21 0.00 0.00 0.00 0.00 23.12 20.36 3fim s ALA 386 CO 0.28 0.16 -0.01 0.72 0.00 0.00 0.00 175.76 176.92 3fim n HIS 387 N -0.99 0.32 -3.99 0.00 8.25 0.62 -4.21 115.22 115.23 3fim n HIS 387 Ca 0.00 0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.44 3fim n HIS 387 Cb 0.54 -1.05 -0.07 0.00 1.12 0.00 0.00 29.99 30.54 3fim n HIS 387 CO 0.00 0.00 0.00 1.67 0.64 0.00 0.00 176.34 178.65 3fim s TRP 388 N -2.53 0.44 0.14 4.41 -2.14 -0.88 -1.57 118.94 116.80 3fim s TRP 388 Ca -0.27 -0.79 0.09 0.00 2.66 0.00 0.00 56.10 57.79 3fim s TRP 388 Cb 0.08 -0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.40 3fim s TRP 388 CO 0.68 -0.80 -0.21 -2.00 -2.66 0.00 0.00 176.95 171.96 3fim s GLU 389 N -4.00 1.25 -0.05 3.25 2.12 -0.01 -0.80 118.70 120.46 3fim s GLU 389 Ca 0.21 -1.31 0.03 0.00 0.36 0.00 0.00 54.97 54.26 3fim s GLU 389 Cb 0.02 -1.46 0.01 0.00 0.26 0.00 0.00 34.13 32.95 3fim s GLU 389 CO 0.04 0.32 -0.13 0.99 -0.54 0.00 0.00 175.26 175.94 3fim s THR 390 N -1.53 1.17 -0.12 -1.70 2.01 0.28 -1.08 115.64 114.67 3fim s THR 390 Ca 0.12 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.60 3fim s THR 390 Cb -0.08 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.40 3fim s THR 390 CO 0.06 0.35 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.53 3fim s ILE 391 N 0.36 1.74 -0.33 1.82 1.01 0.31 -0.54 121.20 125.56 3fim s ILE 391 Ca -0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3fim s ILE 391 Cb -0.13 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3fim s ILE 391 CO 0.03 0.49 0.15 -0.36 0.00 0.00 0.00 174.94 175.25 3fim s PHE 392 N 0.91 3.20 -0.10 3.97 0.08 -1.23 -1.48 117.98 123.33 3fim s PHE 392 Ca -0.07 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.14 3fim s PHE 392 Cb -0.15 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 3fim s PHE 392 CO -0.02 -0.56 -0.09 -1.12 -0.10 0.00 0.00 175.22 173.33 3fim s SER 393 N 1.56 4.38 0.00 1.36 0.01 -0.69 -4.01 113.70 116.31 3fim s SER 393 Ca 0.03 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 3fim s SER 393 Cb -0.18 -1.37 -0.06 0.00 0.21 0.00 0.00 66.02 64.63 3fim s SER 393 CO 0.05 0.26 1.87 -3.20 0.41 0.00 0.00 173.24 172.63 3fim n ASN 394 N 2.89 3.96 -3.65 2.44 5.15 -1.26 -2.18 115.26 122.61 3fim n ASN 394 Ca -0.18 -2.10 0.00 0.00 -0.60 0.00 0.00 54.58 51.71 3fim n ASN 394 Cb 0.53 -0.90 0.01 0.00 -0.53 0.00 0.00 39.78 38.88 3fim n ASN 394 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fim s GLN 395 N 0.79 0.67 0.19 1.20 -2.07 -1.10 -0.46 119.66 118.88 3fim s GLN 395 Ca 0.14 -0.41 -0.33 0.00 -1.82 0.00 0.00 55.36 52.94 3fim s GLN 395 Cb 0.07 0.20 -0.13 0.00 -1.09 0.00 0.00 33.01 32.06 3fim s GLN 395 CO 0.00 -0.31 1.65 1.87 -1.32 0.00 0.00 175.29 177.18 3fim n TRP 396 N -0.68 2.53 -3.65 9.60 -0.00 -1.26 -2.90 117.44 121.08 3fim n TRP 396 Ca -0.03 0.16 -0.21 0.00 -0.00 0.00 0.00 57.50 57.42 3fim n TRP 396 Cb 0.60 -2.61 -0.17 0.00 -0.00 0.00 0.00 31.31 29.13 3fim n TRP 396 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 3fim s PHE 397 N 0.99 0.06 -0.30 5.87 5.36 -1.26 -5.01 117.98 123.70 3fim s PHE 397 Ca 0.76 0.13 -0.07 0.00 -0.96 0.00 0.00 56.93 56.80 3fim s PHE 397 Cb -0.59 -0.51 0.15 0.00 -0.34 0.00 0.00 43.02 41.73 3fim s PHE 397 CO 0.36 -0.31 0.62 -1.58 -1.46 0.00 0.00 175.22 172.85 3fim s HIS 398 N 2.18 -1.42 0.53 10.12 2.46 -1.26 -4.47 115.29 123.42 3fim s HIS 398 Ca 0.04 2.08 0.19 0.00 0.47 0.00 0.00 55.06 57.83 3fim s HIS 398 Cb -0.13 0.70 1.33 0.00 -0.13 0.00 0.00 32.58 34.35 3fim s HIS 398 CO -0.05 -0.74 2.13 -1.35 -2.47 0.00 0.00 174.74 172.26 3fim h PRO 399 N 8.01 0.00 -0.00 2.88 0.11 -1.96 -3.16 132.00 137.88 3fim h PRO 399 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3fim h PRO 399 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fim h PRO 399 CO 0.16 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 177.58 3fim n ALA 400 N -2.54 3.13 -3.62 -0.75 0.00 -1.26 -4.95 120.51 110.52 3fim n ALA 400 Ca -0.01 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.75 3fim n ALA 400 Cb 0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 19.45 19.10 3fim n ALA 400 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fim s ILE 401 N -1.73 2.45 0.60 0.00 1.01 -1.20 -5.11 121.20 117.22 3fim s ILE 401 Ca 0.06 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 3fim s ILE 401 Cb 0.08 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3fim s ILE 401 CO 0.35 0.52 1.33 -2.84 0.00 0.00 0.00 174.94 174.30 3fim s PRO 402 N 0.93 2.82 0.12 2.79 0.02 -1.26 -4.56 135.00 135.87 3fim s PRO 402 Ca -0.03 2.15 -0.34 0.00 0.02 0.00 0.00 61.00 62.79 3fim s PRO 402 Cb -0.15 -2.03 -0.14 0.00 0.02 0.00 0.00 34.50 32.20 3fim s PRO 402 CO -0.03 -1.42 1.59 -2.13 -0.33 0.00 0.00 177.00 174.68 3fim n ARG 403 N -1.51 2.05 -1.24 5.54 0.63 -1.26 -4.96 116.66 115.92 3fim n ARG 403 Ca 0.13 0.74 -0.34 0.00 -0.92 0.00 0.00 57.85 57.46 3fim n ARG 403 Cb 0.47 -2.50 0.11 0.00 0.45 0.00 0.00 32.46 30.99 3fim n ARG 403 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3fim n PRO 404 N 3.69 0.37 0.26 -0.14 -0.02 -1.26 -4.94 135.00 132.96 3fim n PRO 404 Ca 0.18 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3fim n PRO 404 Cb 0.28 -2.44 0.60 0.00 -0.02 0.00 0.00 33.50 31.91 3fim n PRO 404 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3fim h ASP 405 N -0.60 0.00 -4.07 2.55 3.32 -2.03 -3.45 116.42 112.14 3fim h ASP 405 Ca -0.47 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.21 3fim h ASP 405 Cb 1.31 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.69 3fim h ASP 405 CO 0.47 0.04 -0.74 0.42 -1.72 0.00 0.00 179.24 177.72 3fim s THR 406 N -3.62 1.20 0.00 0.35 -4.23 -1.26 -5.12 115.64 102.95 3fim s THR 406 Ca 0.02 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3fim s THR 406 Cb 0.09 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.33 3fim s THR 406 CO 0.57 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3fim n GLY 407 N 0.30 2.37 3.53 3.99 0.00 -1.26 -5.06 105.19 109.05 3fim n GLY 407 Ca -0.14 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 3fim n GLY 407 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fim s SER 408 N 0.00 4.35 0.07 1.61 0.01 -1.26 -4.97 113.70 113.51 3fim s SER 408 Ca 0.00 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.18 3fim s SER 408 Cb 0.00 -1.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 3fim s SER 408 CO 0.00 0.34 -0.10 -0.36 0.41 0.00 0.00 173.24 173.54 3fim s PHE 409 N -0.71 0.92 0.25 2.43 0.08 -1.26 -1.21 117.98 118.47 3fim s PHE 409 Ca 0.11 -0.56 0.10 0.00 0.12 0.00 0.00 56.93 56.70 3fim s PHE 409 Cb -0.11 -0.52 -0.05 0.00 -0.57 0.00 0.00 43.02 41.77 3fim s PHE 409 CO 0.01 -0.03 -0.10 0.00 -0.10 0.00 0.00 175.22 174.99 3fim s MET 410 N -2.11 1.99 0.15 0.44 0.23 -0.62 -2.71 119.30 116.67 3fim s MET 410 Ca -0.02 -1.52 0.07 0.00 -1.03 0.00 0.00 55.69 53.19 3fim s MET 410 Cb -0.07 -2.01 -0.04 0.00 -1.53 0.00 0.00 34.83 31.18 3fim s MET 410 CO 0.00 0.37 -0.15 -1.12 -2.03 0.00 0.00 175.02 172.09 3fim s SER 411 N -3.40 2.23 -0.28 -1.18 0.01 -0.93 -1.29 113.70 108.87 3fim s SER 411 Ca 0.29 -0.88 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 3fim s SER 411 Cb -0.06 -0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.16 3fim s SER 411 CO 0.17 -0.14 0.06 -0.69 0.41 0.00 0.00 173.24 173.04 3fim s VAL 412 N -2.37 1.04 -0.15 3.43 1.01 -0.30 -1.70 120.40 121.37 3fim s VAL 412 Ca 0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 3fim s VAL 412 Cb -0.04 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3fim s VAL 412 CO 0.04 -0.49 -0.02 -0.89 0.00 0.00 0.00 175.10 173.74 3fim s THR 413 N 1.56 4.09 0.04 3.92 2.01 -0.55 -2.89 115.64 123.83 3fim s THR 413 Ca 0.05 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.78 3fim s THR 413 Cb -0.18 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3fim s THR 413 CO -0.18 0.50 0.07 0.20 -0.69 0.00 0.00 174.62 174.53 3fim s ASN 414 N 0.20 5.56 -0.04 3.53 -0.87 0.49 -0.53 114.94 123.28 3fim s ASN 414 Ca -0.01 0.05 0.06 0.00 -1.57 0.00 0.00 52.86 51.39 3fim s ASN 414 Cb -0.13 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.25 39.56 3fim s ASN 414 CO 0.02 0.21 -0.23 0.00 -2.57 0.00 0.00 177.10 174.53 3fim s ALA 415 N -1.30 1.98 -0.50 0.60 0.00 -0.24 0.20 121.76 122.49 3fim s ALA 415 Ca 0.26 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 3fim s ALA 415 Cb -0.12 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.47 3fim s ALA 415 CO 0.18 0.43 0.88 -1.17 0.00 0.00 0.00 175.76 176.08 3fim s LEU 416 N -0.32 4.17 0.06 0.00 2.96 -0.75 -0.83 118.68 123.97 3fim s LEU 416 Ca 0.02 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 3fim s LEU 416 Cb -0.11 -2.92 -0.23 0.00 0.50 0.00 0.00 46.19 43.42 3fim s LEU 416 CO 0.01 -1.08 1.06 0.40 -1.32 0.00 0.00 176.35 175.42 3fim h ILE 417 N 6.01 1.41 -2.25 6.68 1.08 -1.60 -3.35 117.51 125.50 3fim h ILE 417 Ca -0.25 -3.14 -0.59 0.00 -0.39 0.00 0.00 64.86 60.49 3fim h ILE 417 Cb 1.08 2.74 -0.42 0.00 -3.07 0.00 0.00 36.82 37.14 3fim h ILE 417 CO 1.03 0.83 -0.64 -1.54 -0.69 0.00 0.00 178.15 177.14 3fim n SER 418 N -3.30 4.12 -4.76 1.72 3.41 -1.18 -4.77 113.62 108.86 3fim n SER 418 Ca -0.07 -3.58 -0.38 0.00 -0.26 0.00 0.00 58.87 54.58 3fim n SER 418 Cb 0.99 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 3fim n SER 418 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3fim s PRO 419 N -3.11 3.44 0.07 4.33 0.04 -1.26 -4.74 135.00 133.76 3fim s PRO 419 Ca 0.46 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 3fim s PRO 419 Cb 0.24 -2.31 -0.28 0.00 0.04 0.00 0.00 34.50 32.19 3fim s PRO 419 CO -0.10 -0.87 1.11 0.28 0.04 0.00 0.00 177.00 177.47 3fim h VAL 420 N 1.63 1.47 -3.65 -0.36 2.07 -1.95 -3.48 116.25 111.97 3fim h VAL 420 Ca -0.50 -3.06 -0.57 0.00 0.82 0.00 0.00 66.70 63.40 3fim h VAL 420 Cb 1.27 2.91 0.15 0.00 -1.52 0.00 0.00 31.29 34.11 3fim h VAL 420 CO 0.59 0.89 0.28 0.00 0.02 0.00 0.00 177.57 179.34 3fim n ALA 421 N -2.54 0.59 -2.86 1.67 0.00 -1.26 -5.06 120.51 111.07 3fim n ALA 421 Ca -0.09 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3fim n ALA 421 Cb 1.02 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 3fim n ALA 421 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fim s ARG 422 N -2.73 0.17 0.00 0.00 1.81 -1.26 -4.83 118.95 112.11 3fim s ARG 422 Ca 0.73 -0.16 0.00 0.00 -1.72 0.00 0.00 55.73 54.59 3fim s ARG 422 Cb -0.43 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 33.97 3fim s ARG 422 CO 0.48 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 3fim n GLY 423 N 2.79 6.86 3.27 -3.53 0.00 0.01 -4.68 105.19 109.91 3fim n GLY 423 Ca -0.14 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 3fim n GLY 423 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3fim s ASP 424 N 1.00 -0.11 -0.13 1.61 1.47 -0.43 -2.23 116.67 117.86 3fim s ASP 424 Ca 0.00 -0.40 0.01 0.00 1.18 0.00 0.00 52.55 53.35 3fim s ASP 424 Cb 0.00 0.41 -0.01 0.00 -0.34 0.00 0.00 42.92 42.99 3fim s ASP 424 CO 0.00 -0.78 -0.17 -0.63 0.68 0.00 0.00 175.17 174.27 3fim s ILE 425 N -3.62 2.59 0.06 2.11 1.01 0.80 -0.45 121.20 123.71 3fim s ILE 425 Ca 0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3fim s ILE 425 Cb 0.02 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3fim s ILE 425 CO -0.10 0.53 -0.04 -0.54 0.00 0.00 0.00 174.94 174.79 3fim s LYS 426 N 0.52 0.65 0.25 2.79 1.02 -0.59 -4.52 119.74 119.86 3fim s LYS 426 Ca -0.11 -1.21 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 3fim s LYS 426 Cb -0.16 0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 37.13 3fim s LYS 426 CO 0.04 -0.08 1.10 -0.51 -0.92 0.00 0.00 175.35 174.99 3fim s LEU 427 N -2.84 4.54 -0.05 3.17 1.43 -1.26 -0.38 118.68 123.30 3fim s LEU 427 Ca 0.07 2.21 0.10 0.00 -1.03 0.00 0.00 54.13 55.48 3fim s LEU 427 Cb 0.06 -3.62 -0.23 0.00 0.03 0.00 0.00 46.19 42.42 3fim s LEU 427 CO -0.08 -0.16 0.65 0.00 0.23 0.00 0.00 176.35 176.99 3fim h ALA 428 N 4.25 0.73 -2.81 4.21 0.00 -1.93 -3.46 119.26 120.25 3fim h ALA 428 Ca -0.46 -1.45 -0.13 0.00 0.00 0.00 0.00 54.91 52.88 3fim h ALA 428 Cb 1.21 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 3fim h ALA 428 CO 0.69 1.55 -0.22 0.95 0.00 0.00 0.00 179.25 182.22 3fim s THR 429 N -2.60 0.00 -2.14 0.00 -4.23 -1.26 -4.95 115.64 100.46 3fim s THR 429 Ca -0.06 -1.54 0.18 0.00 -1.18 0.00 0.00 61.69 59.08 3fim s THR 429 Cb 0.08 -2.35 0.44 0.00 1.34 0.00 0.00 72.50 72.01 3fim s THR 429 CO 0.82 0.00 1.41 -1.54 -0.54 0.00 0.00 174.62 174.77 3fim n SER 430 N -0.57 2.54 -4.63 3.99 3.41 -1.25 -4.85 113.62 112.27 3fim n SER 430 Ca -0.01 -1.93 -0.43 0.00 -0.26 0.00 0.00 58.87 56.24 3fim n SER 430 Cb 0.63 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 3fim n SER 430 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3fim s ASN 431 N -1.21 6.81 0.51 4.04 3.84 -1.26 -4.93 114.94 122.74 3fim s ASN 431 Ca 0.34 0.91 0.35 0.00 0.21 0.00 0.00 52.86 54.66 3fim s ASN 431 Cb 0.18 -2.54 1.78 0.00 -0.55 0.00 0.00 41.25 40.12 3fim s ASN 431 CO 0.25 -1.02 2.05 -0.65 -2.79 0.00 0.00 177.10 174.94 3fim h PRO 432 N 8.61 0.00 -0.01 0.43 0.11 -1.89 -1.47 132.00 137.78 3fim h PRO 432 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3fim h PRO 432 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fim h PRO 432 CO 1.06 0.00 -0.15 1.19 -0.21 0.00 0.00 178.00 179.89 3fim n PHE 433 N -2.77 0.00 -2.90 0.65 3.72 -1.26 -4.91 117.46 109.99 3fim n PHE 433 Ca -0.02 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 3fim n PHE 433 Cb 0.11 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.49 3fim n PHE 433 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3fim s ASP 434 N -2.38 6.65 0.50 4.37 1.01 -0.56 -5.06 116.67 121.20 3fim s ASP 434 Ca 0.29 1.27 -0.20 0.00 0.71 0.00 0.00 52.55 54.63 3fim s ASP 434 Cb 0.20 -2.38 -0.08 0.00 1.01 0.00 0.00 42.92 41.67 3fim s ASP 434 CO 0.46 -0.35 1.04 -0.54 0.21 0.00 0.00 175.17 176.00 3fim s LYS 435 N -3.52 3.74 0.76 8.23 -0.14 -1.26 -5.01 119.74 122.53 3fim s LYS 435 Ca 0.54 1.34 -0.10 0.00 -1.36 0.00 0.00 55.97 56.39 3fim s LYS 435 Cb -0.10 -2.09 0.06 0.00 -1.68 0.00 0.00 37.83 34.02 3fim s LYS 435 CO 0.25 -0.48 1.11 -1.25 -0.76 0.00 0.00 175.35 174.22 3fim s PRO 436 N -3.34 2.23 -0.44 -1.68 0.04 -1.26 -4.46 135.00 126.08 3fim s PRO 436 Ca 0.67 0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 3fim s PRO 436 Cb -0.16 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.38 3fim s PRO 436 CO 0.22 -1.37 0.55 -0.51 0.04 0.00 0.00 177.00 175.93 3fim s LEU 437 N -5.43 4.76 -0.30 -3.56 1.43 0.49 -4.83 118.68 111.24 3fim s LEU 437 Ca 0.60 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3fim s LEU 437 Cb -0.11 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.62 3fim s LEU 437 CO 0.48 -0.71 0.03 -0.63 0.23 0.00 0.00 176.35 175.76 3fim s ILE 438 N 2.47 3.42 -0.51 -0.59 1.01 -1.26 -1.55 121.20 124.19 3fim s ILE 438 Ca 0.16 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3fim s ILE 438 Cb -0.16 -2.85 0.15 0.00 0.01 0.00 0.00 42.46 39.60 3fim s ILE 438 CO 0.15 -0.00 0.31 0.21 0.00 0.00 0.00 174.94 175.61 3fim s ASN 439 N 1.37 3.75 0.30 3.58 2.47 0.40 -1.02 114.94 125.80 3fim s ASN 439 Ca -0.01 -3.02 0.26 0.00 0.42 0.00 0.00 52.86 50.51 3fim s ASN 439 Cb -0.18 -1.20 0.93 0.00 -1.45 0.00 0.00 41.25 39.35 3fim s ASN 439 CO 0.00 -0.21 1.76 -0.65 -3.72 0.00 0.00 177.10 174.28 3fim h PRO 440 N 6.26 0.00 -5.23 0.43 0.11 -1.94 -1.13 132.00 130.51 3fim h PRO 440 Ca 0.05 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.81 3fim h PRO 440 Cb 0.88 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.11 3fim h PRO 440 CO 0.56 0.00 -0.60 1.04 -0.21 0.00 0.00 178.00 178.79 3fim n GLN 441 N -2.44 -6.97 -1.64 1.05 6.02 -1.26 -3.41 117.38 108.73 3fim n GLN 441 Ca 0.03 0.73 -0.47 0.00 -0.01 0.00 0.00 57.00 57.29 3fim n GLN 441 Cb 0.33 -5.48 -0.04 0.00 1.02 0.00 0.00 30.24 26.08 3fim n GLN 441 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fim n TYR 442 N -4.70 1.95 -2.54 1.08 4.01 -1.26 -2.77 117.16 112.92 3fim n TYR 442 Ca 0.01 0.46 -0.21 0.00 -0.16 0.00 0.00 57.90 58.00 3fim n TYR 442 Cb 0.55 -2.43 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 3fim n TYR 442 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3fim n LEU 443 N 2.48 -2.12 -0.53 7.72 4.77 -1.26 -3.99 117.00 124.08 3fim n LEU 443 Ca 0.14 -0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3fim n LEU 443 Cb 0.28 -2.88 0.43 0.00 -2.33 0.00 0.00 43.42 38.92 3fim n LEU 443 CO 0.62 -0.10 0.81 -1.54 -1.33 0.00 0.00 177.39 175.86 3fim n SER 444 N -2.00 1.60 -4.37 -1.43 3.41 -1.11 -4.62 113.62 105.10 3fim n SER 444 Ca -0.21 -1.63 -0.19 0.00 -0.26 0.00 0.00 58.87 56.58 3fim n SER 444 Cb 0.67 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 3fim n SER 444 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3fim s THR 445 N -1.87 1.80 0.17 6.66 -4.23 -1.26 -5.03 115.64 111.88 3fim s THR 445 Ca 0.35 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 3fim s THR 445 Cb 0.19 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 3fim s THR 445 CO 0.29 -0.55 1.50 -0.08 -0.54 0.00 0.00 174.62 175.25 3fim h GLU 446 N 2.50 0.75 -0.68 3.99 4.57 -2.01 -3.03 114.58 120.69 3fim h GLU 446 Ca -0.38 -0.42 0.10 0.00 -1.18 0.00 0.00 59.36 57.47 3fim h GLU 446 Cb 1.23 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 3fim h GLU 446 CO 0.62 1.04 0.31 0.35 -1.18 0.00 0.00 179.01 180.15 3fim h PHE 447 N 0.61 0.55 0.11 0.92 3.57 -1.96 -0.60 116.94 120.14 3fim h PHE 447 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3fim h PHE 447 Cb 1.01 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3fim h PHE 447 CO 0.05 0.18 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.82 3fim h ASP 448 N 0.53 -0.13 -0.53 0.41 3.32 -1.93 -0.90 116.42 117.20 3fim h ASP 448 Ca 0.34 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3fim h ASP 448 Cb 0.38 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3fim h ASP 448 CO -0.29 0.24 0.16 -0.29 -1.72 0.00 0.00 179.24 177.34 3fim h ILE 449 N -0.51 1.23 -0.28 0.35 6.09 -1.48 -2.70 117.51 120.21 3fim h ILE 449 Ca -0.02 -0.80 0.04 0.00 -1.37 0.00 0.00 64.86 62.72 3fim h ILE 449 Cb 0.41 0.75 -0.04 0.00 0.47 0.00 0.00 36.82 38.42 3fim h ILE 449 CO 0.03 0.29 0.04 0.15 -3.07 0.00 0.00 178.15 175.60 3fim h PHE 450 N 0.73 0.07 -0.99 2.19 3.57 -1.08 -1.28 116.94 120.15 3fim h PHE 450 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3fim h PHE 450 Cb 0.29 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3fim h PHE 450 CO 0.02 0.01 0.66 1.15 -2.23 0.00 0.00 178.31 177.91 3fim h THR 451 N 0.15 1.24 -0.10 4.41 2.02 -1.11 -2.45 112.91 117.07 3fim h THR 451 Ca 0.13 -0.46 -0.12 0.00 0.77 0.00 0.00 66.41 66.74 3fim h THR 451 Cb 0.15 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 3fim h THR 451 CO -0.19 0.24 -0.47 0.24 0.37 0.00 0.00 175.52 175.71 3fim h MET 452 N 1.33 0.25 -0.54 6.66 2.86 -1.01 0.06 114.93 124.53 3fim h MET 452 Ca 0.37 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 3fim h MET 452 Cb -0.13 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3fim h MET 452 CO -0.09 0.67 0.25 0.82 1.06 0.00 0.00 176.91 179.62 3fim h ILE 453 N 0.20 1.21 -0.55 -1.22 2.04 -0.98 -2.04 117.51 116.16 3fim h ILE 453 Ca 0.01 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3fim h ILE 453 Cb 0.91 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3fim h ILE 453 CO 0.07 0.24 0.06 1.56 0.00 0.00 0.00 178.15 180.08 3fim h GLN 454 N 0.73 0.94 -0.74 2.37 1.08 -1.15 -2.42 115.11 115.92 3fim h GLN 454 Ca 0.18 -0.27 0.13 0.00 -1.45 0.00 0.00 58.65 57.24 3fim h GLN 454 Cb 0.14 -0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 27.39 3fim h GLN 454 CO -0.02 0.92 0.32 0.00 -0.95 0.00 0.00 178.83 179.10 3fim h ALA 455 N 0.98 1.04 -0.35 3.87 0.00 -0.73 -0.95 119.26 123.12 3fim h ALA 455 Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3fim h ALA 455 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fim h ALA 455 CO 0.02 -0.15 0.11 0.28 0.00 0.00 0.00 179.25 179.50 3fim h VAL 456 N 0.50 1.21 -0.58 0.00 2.07 -1.10 -0.67 116.25 117.67 3fim h VAL 456 Ca 0.39 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3fim h VAL 456 Cb 0.54 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3fim h VAL 456 CO -0.36 0.23 0.33 0.11 0.02 0.00 0.00 177.57 177.91 3fim h LYS 457 N 0.41 0.62 0.12 1.57 1.57 -1.11 -1.38 116.57 118.38 3fim h LYS 457 Ca 0.11 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3fim h LYS 457 Cb 0.25 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3fim h LYS 457 CO -0.00 0.41 -0.37 1.03 -0.57 0.00 0.00 179.45 179.95 3fim h SER 458 N 0.64 -1.09 -0.80 0.86 0.87 -1.00 -0.63 113.55 112.40 3fim h SER 458 Ca 0.25 0.12 0.16 0.00 -1.23 0.00 0.00 61.79 61.09 3fim h SER 458 Cb 0.10 0.41 -0.15 0.00 -0.44 0.00 0.00 62.40 62.32 3fim h SER 458 CO -0.14 -0.45 -0.22 0.78 -0.53 0.00 0.00 176.83 176.27 3fim h ASN 459 N -0.60 -0.82 -0.37 6.23 2.35 -0.83 -0.02 115.58 121.52 3fim h ASN 459 Ca 0.03 0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 3fim h ASN 459 Cb 0.63 0.52 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 3fim h ASN 459 CO -0.22 -0.27 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.19 3fim h LEU 460 N -0.01 0.73 -0.49 1.61 3.38 -0.91 -1.35 115.31 118.28 3fim h LEU 460 Ca 0.38 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3fim h LEU 460 Cb 0.59 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3fim h LEU 460 CO -0.83 0.82 0.07 0.03 0.09 0.00 0.00 178.44 178.62 3fim h ARG 461 N 0.71 0.81 0.04 1.13 3.08 -0.62 -2.23 114.38 117.30 3fim h ARG 461 Ca 0.13 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3fim h ARG 461 Cb 0.48 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3fim h ARG 461 CO 0.02 0.82 -0.15 0.35 -1.07 0.00 0.00 179.97 179.94 3fim h PHE 462 N 0.68 -0.38 0.00 3.04 3.57 -0.76 -2.31 116.94 120.78 3fim h PHE 462 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3fim h PHE 462 Cb 0.41 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.31 3fim h PHE 462 CO 0.03 -0.22 0.00 1.28 -2.23 0.00 0.00 178.31 177.17 3fim n LEU 463 N -5.28 0.00 -0.68 0.59 4.77 -0.53 -2.44 117.00 113.44 3fim n LEU 463 Ca -0.06 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.35 3fim n LEU 463 Cb 0.20 -0.31 0.35 0.00 -2.33 0.00 0.00 43.42 41.32 3fim n LEU 463 CO 0.27 -0.13 0.77 -1.54 -1.33 0.00 0.00 177.39 175.43 3fim n SER 464 N -1.31 2.06 -4.76 -1.43 3.41 -0.84 -4.74 113.62 106.01 3fim n SER 464 Ca 0.08 -1.74 -0.33 0.00 -0.26 0.00 0.00 58.87 56.61 3fim n SER 464 Cb 0.15 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 64.05 3fim n SER 464 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fim s GLY 465 N -1.67 2.19 0.32 5.00 0.00 -1.02 -4.94 107.32 107.20 3fim s GLY 465 Ca 0.34 0.61 0.10 0.00 0.00 0.00 0.00 44.72 45.77 3fim s GLY 465 CO 0.29 0.97 1.70 -1.61 0.00 0.00 0.00 173.10 174.45 3fim h GLN 466 N -0.03 0.45 -0.20 2.90 5.75 -1.92 -1.37 115.11 120.70 3fim h GLN 466 Ca -0.47 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.06 3fim h GLN 466 Cb 1.26 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 3fim h GLN 466 CO 0.53 0.29 0.19 0.00 -2.65 0.00 0.00 178.83 177.20 3fim h ALA 467 N 1.77 1.91 -0.01 3.38 0.00 -1.92 -0.78 119.26 123.61 3fim h ALA 467 Ca 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3fim h ALA 467 Cb 1.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fim h ALA 467 CO -0.53 -0.29 -0.75 0.91 0.00 0.00 0.00 179.25 178.58 3fim n TRP 468 N -3.97 0.00 -0.30 0.00 7.02 -0.52 -4.64 117.44 115.03 3fim n TRP 468 Ca 0.02 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.55 3fim n TRP 468 Cb 0.32 -0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.40 3fim n TRP 468 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3fim h ALA 469 N 3.41 1.23 -0.48 6.99 0.00 -1.08 -0.57 119.26 128.76 3fim h ALA 469 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fim h ALA 469 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3fim h ALA 469 CO 0.00 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 178.87 3fim n ASP 470 N -4.79 3.19 0.04 0.00 5.75 -1.26 -4.70 116.55 114.77 3fim n ASP 470 Ca 0.15 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 3fim n ASP 470 Cb 0.35 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3fim n ASP 470 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3fim n PHE 471 N 0.85 -0.49 -1.76 2.11 7.35 -0.30 -4.67 117.46 120.55 3fim n PHE 471 Ca 0.18 0.09 -0.42 0.00 -0.76 0.00 0.00 57.45 56.53 3fim n PHE 471 Cb 0.57 0.22 -0.03 0.00 0.35 0.00 0.00 39.48 40.59 3fim n PHE 471 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3fim s VAL 472 N -1.46 2.51 -0.20 -2.13 1.01 -0.75 0.20 120.40 119.58 3fim s VAL 472 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 3fim s VAL 472 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 3fim s VAL 472 CO 0.00 0.00 -0.26 -0.38 0.00 0.00 0.00 175.10 174.47 3fim n ILE 473 N 4.53 1.49 -3.58 2.22 5.41 -0.12 -4.87 119.36 124.45 3fim n ILE 473 Ca 0.17 0.01 -0.07 0.00 1.00 0.00 0.00 62.75 63.85 3fim n ILE 473 Cb 0.38 -2.21 -0.03 0.00 -0.71 0.00 0.00 39.64 37.07 3fim n ILE 473 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fim s ARG 474 N -2.62 0.48 0.53 0.38 1.70 -1.23 -5.02 118.95 113.17 3fim s ARG 474 Ca -0.29 -0.04 -0.21 0.00 -0.47 0.00 0.00 55.73 54.72 3fim s ARG 474 Cb 0.07 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 3fim s ARG 474 CO 0.42 -0.18 1.27 -1.25 -1.08 0.00 0.00 175.30 174.48 3fim s PRO 475 N -1.86 3.27 0.22 3.89 0.04 -1.26 -0.87 135.00 138.43 3fim s PRO 475 Ca 0.04 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.03 3fim s PRO 475 Cb -0.01 -2.23 0.26 0.00 0.04 0.00 0.00 34.50 32.56 3fim s PRO 475 CO -0.04 -1.02 1.84 0.35 0.04 0.00 0.00 177.00 178.18 3fim h PHE 476 N 1.51 0.87 -3.63 0.56 3.57 -1.04 -3.41 116.94 115.37 3fim h PHE 476 Ca -0.50 0.03 -0.62 0.00 3.53 0.00 0.00 57.97 60.40 3fim h PHE 476 Cb 1.29 -0.28 -0.13 0.00 2.79 0.00 0.00 35.95 39.61 3fim h PHE 476 CO 0.48 0.47 -0.10 0.34 -2.23 0.00 0.00 178.31 177.27 3fim s ASP 477 N -5.74 6.37 0.25 0.41 -1.08 -1.26 -4.99 116.67 110.63 3fim s ASP 477 Ca -0.13 0.44 0.20 0.00 -0.52 0.00 0.00 52.55 52.54 3fim s ASP 477 Cb 0.17 -2.26 0.97 0.00 -1.46 0.00 0.00 42.92 40.34 3fim s ASP 477 CO 0.78 -0.25 1.61 -0.81 0.52 0.00 0.00 175.17 177.02 3fim n PRO 478 N 5.44 0.14 0.12 4.34 -0.04 -1.26 -1.75 135.00 141.99 3fim n PRO 478 Ca -0.06 0.53 0.10 0.00 -0.04 0.00 0.00 63.50 64.04 3fim n PRO 478 Cb 0.50 -1.86 0.47 0.00 -0.04 0.00 0.00 33.50 32.57 3fim n PRO 478 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fim n ARG 479 N -2.14 0.14 -0.26 0.54 1.74 -1.26 -2.01 116.66 113.41 3fim n ARG 479 Ca 0.00 0.49 0.08 0.00 -0.77 0.00 0.00 57.85 57.65 3fim n ARG 479 Cb 0.11 -1.84 0.22 0.00 -1.02 0.00 0.00 32.46 29.92 3fim n ARG 479 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fim n LEU 480 N -2.12 2.70 0.02 0.55 4.77 -0.72 -4.26 117.00 117.94 3fim n LEU 480 Ca 0.01 -1.35 -0.16 0.00 -0.03 0.00 0.00 56.01 54.47 3fim n LEU 480 Cb 0.13 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 3fim n LEU 480 CO 0.14 0.66 0.22 0.03 -1.33 0.00 0.00 177.39 177.11 3fim h ARG 481 N 2.90 0.67 -4.85 3.23 3.08 -1.59 -3.44 114.38 114.37 3fim h ARG 481 Ca 0.00 -0.61 -0.68 0.00 0.07 0.00 0.00 59.98 58.77 3fim h ARG 481 Cb 0.69 0.15 -0.33 0.00 0.08 0.00 0.00 29.97 30.56 3fim h ARG 481 CO 0.01 1.21 -0.73 0.34 -1.07 0.00 0.00 179.97 179.73 3fim s ASP 482 N -7.13 4.54 0.00 7.04 -1.08 -1.26 -4.99 116.67 113.77 3fim s ASP 482 Ca -0.09 -1.05 0.21 0.00 -0.52 0.00 0.00 52.55 51.10 3fim s ASP 482 Cb 0.08 -1.67 1.06 0.00 -1.46 0.00 0.00 42.92 40.93 3fim s ASP 482 CO 0.90 -0.18 1.68 -0.81 0.52 0.00 0.00 175.17 177.28 3fim n PRO 483 N 4.64 0.27 0.00 4.34 -0.04 -1.26 -2.73 135.00 140.22 3fim n PRO 483 Ca -0.15 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.53 3fim n PRO 483 Cb 0.45 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.77 3fim n PRO 483 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3fim n THR 484 N -1.31 0.00 -3.41 0.52 -2.24 -1.26 -4.77 114.28 101.82 3fim n THR 484 Ca 0.10 -0.26 -0.45 0.00 -2.27 0.00 0.00 64.05 61.17 3fim n THR 484 Cb 0.18 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 3fim n THR 484 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fim s ASP 485 N -2.19 6.59 0.39 3.42 2.15 -1.10 -4.90 116.67 121.02 3fim s ASP 485 Ca 0.30 -2.93 0.09 0.00 0.43 0.00 0.00 52.55 50.45 3fim s ASP 485 Cb 0.20 -2.14 0.79 0.00 -0.30 0.00 0.00 42.92 41.47 3fim s ASP 485 CO 0.41 -0.47 1.92 0.44 -0.17 0.00 0.00 175.17 177.30 3fim h ASP 486 N 7.38 0.24 -0.14 -0.34 5.19 -1.88 -2.25 116.42 124.62 3fim h ASP 486 Ca 0.11 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3fim h ASP 486 Cb 0.99 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 3fim h ASP 486 CO 0.79 0.38 0.05 0.00 -3.12 0.00 0.00 179.24 177.34 3fim h ALA 487 N 1.65 0.18 -0.59 3.45 0.00 -1.99 -0.03 119.26 121.93 3fim h ALA 487 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3fim h ALA 487 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3fim h ALA 487 CO 0.02 -0.22 0.17 0.00 0.00 0.00 0.00 179.25 179.22 3fim h ALA 488 N 0.88 0.77 -0.04 0.00 0.00 -1.84 -1.18 119.26 117.85 3fim h ALA 488 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3fim h ALA 488 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fim h ALA 488 CO -0.00 0.45 0.01 0.82 0.00 0.00 0.00 179.25 180.53 3fim h ILE 489 N 0.84 1.17 -0.98 0.00 2.04 -1.42 -1.86 117.51 117.30 3fim h ILE 489 Ca 0.19 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3fim h ILE 489 Cb 0.30 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3fim h ILE 489 CO -0.00 0.14 0.64 -0.08 0.00 0.00 0.00 178.15 178.84 3fim h GLU 490 N -0.14 1.23 -0.58 2.37 4.81 -0.92 -1.12 114.58 120.23 3fim h GLU 490 Ca 0.01 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3fim h GLU 490 Cb 0.21 -0.28 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 3fim h GLU 490 CO -0.00 0.82 0.27 1.03 -0.73 0.00 0.00 179.01 180.40 3fim h SER 491 N 1.27 0.35 -0.51 1.04 0.87 -1.12 -2.19 113.55 113.26 3fim h SER 491 Ca 0.38 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 61.01 3fim h SER 491 Cb -0.05 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3fim h SER 491 CO -0.11 0.23 0.30 0.22 -0.53 0.00 0.00 176.83 176.94 3fim h TYR 492 N 0.50 0.56 -0.40 2.24 3.20 -0.81 -1.85 116.97 120.41 3fim h TYR 492 Ca 0.27 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.10 3fim h TYR 492 Cb 0.24 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3fim h TYR 492 CO -0.12 0.32 0.02 0.82 -1.64 0.00 0.00 178.16 177.56 3fim h ILE 493 N 0.60 1.25 0.00 1.81 2.04 -0.96 -1.19 117.51 121.07 3fim h ILE 493 Ca 0.21 -0.97 -0.16 0.00 1.00 0.00 0.00 64.86 64.94 3fim h ILE 493 Cb 0.03 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3fim h ILE 493 CO -0.10 0.33 -0.78 0.03 0.00 0.00 0.00 178.15 177.63 3fim h ARG 494 N 0.53 0.00 0.00 2.37 3.08 -1.24 0.14 114.38 119.26 3fim h ARG 494 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3fim h ARG 494 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3fim h ARG 494 CO 0.02 0.78 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.12 3fim h ASP 495 N 0.00 0.00 0.00 7.04 3.32 -1.26 -3.35 116.42 122.17 3fim h ASP 495 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fim h ASP 495 Cb 1.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.01 3fim h ASP 495 CO 0.10 0.13 -1.18 0.59 -1.72 0.00 0.00 179.24 177.16 3fim n ASN 496 N -3.16 4.10 -4.77 6.45 3.02 -0.46 -5.06 115.26 115.39 3fim n ASN 496 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.23 3fim n ASN 496 Cb 0.52 1.17 0.03 0.00 -0.61 0.00 0.00 39.78 40.90 3fim n ASN 496 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fim s ALA 497 N -2.27 2.57 0.00 5.41 0.00 0.46 -4.51 121.76 123.41 3fim s ALA 497 Ca -0.01 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3fim s ALA 497 Cb 0.03 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3fim s ALA 497 CO 0.16 -1.06 0.00 -1.71 0.00 0.00 0.00 175.76 173.16 3fim n ASN 498 N -1.77 1.20 -4.12 0.00 2.85 0.34 -4.98 115.26 108.78 3fim n ASN 498 Ca 0.12 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.44 3fim n ASN 498 Cb 0.51 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.42 3fim n ASN 498 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3fim s THR 499 N 1.50 0.76 -1.25 -0.44 -1.32 -1.26 -2.12 115.64 111.51 3fim s THR 499 Ca 0.00 -1.30 0.16 0.00 -1.21 0.00 0.00 61.69 59.35 3fim s THR 499 Cb 0.00 -0.93 0.50 0.00 -1.51 0.00 0.00 72.50 70.55 3fim s THR 499 CO 0.00 -0.41 1.42 0.00 -2.21 0.00 0.00 174.62 173.42 3fim n ILE 500 N 1.15 1.21 -2.03 5.08 3.06 -0.59 -4.53 119.36 122.70 3fim n ILE 500 Ca -0.20 -1.09 0.00 0.00 -2.50 0.00 0.00 62.75 58.95 3fim n ILE 500 Cb 0.55 0.39 0.00 0.00 0.54 0.00 0.00 39.64 41.13 3fim n ILE 500 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3fim n PHE 501 N 0.92 0.00 -2.54 9.51 3.72 -1.26 -5.01 117.46 122.80 3fim n PHE 501 Ca 0.19 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.36 3fim n PHE 501 Cb 0.59 -0.93 0.01 0.00 -0.94 0.00 0.00 39.48 38.21 3fim n PHE 501 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3fim n HIS 502 N -3.20 2.81 -2.11 1.38 8.25 -1.26 -4.95 115.22 116.14 3fim n HIS 502 Ca 0.00 -3.06 -0.40 0.00 -0.26 0.00 0.00 57.72 54.00 3fim n HIS 502 Cb 0.46 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 3fim n HIS 502 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3fim s PRO 503 N -3.42 4.29 0.23 -0.41 0.04 -1.26 -4.23 135.00 130.25 3fim s PRO 503 Ca 0.42 2.20 -0.00 0.00 0.04 0.00 0.00 61.00 63.66 3fim s PRO 503 Cb 0.41 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 3fim s PRO 503 CO -0.13 -0.23 0.18 0.14 0.04 0.00 0.00 177.00 177.00 3fim s VAL 504 N -1.17 0.00 0.00 -0.36 -7.23 -0.81 -4.70 120.40 106.13 3fim s VAL 504 Ca 0.50 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3fim s VAL 504 Cb -0.39 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3fim s VAL 504 CO 0.52 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.92 3fim n GLY 505 N -0.35 1.53 0.00 2.32 0.00 -0.82 -2.11 105.19 105.76 3fim n GLY 505 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3fim n GLY 505 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fim n THR 506 N -1.89 0.53 -2.77 2.61 -2.24 -1.12 -2.79 114.28 106.61 3fim n THR 506 Ca 0.00 0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 3fim n THR 506 Cb 0.00 -0.83 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 3fim n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fim n ALA 507 N -1.34 3.23 -1.66 6.98 0.00 0.14 -0.76 120.51 127.10 3fim n ALA 507 Ca 0.08 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.80 3fim n ALA 507 Cb 0.16 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 3fim n ALA 507 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3fim n SER 508 N -0.01 2.22 -4.81 0.00 7.64 -1.10 -3.89 113.62 113.68 3fim n SER 508 Ca 0.15 1.16 -0.35 0.00 1.01 0.00 0.00 58.87 60.84 3fim n SER 508 Cb 0.77 -1.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 3fim n SER 508 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fim s MET 509 N -1.90 4.35 0.26 1.43 0.23 -0.53 -0.05 119.30 123.10 3fim s MET 509 Ca 0.58 1.14 -0.10 0.00 -1.03 0.00 0.00 55.69 56.28 3fim s MET 509 Cb -0.58 -2.52 -0.01 0.00 -1.53 0.00 0.00 34.83 30.20 3fim s MET 509 CO 0.60 0.15 0.44 -1.54 -2.03 0.00 0.00 175.02 172.64 3fim s SER 510 N -1.91 0.07 0.62 -1.18 1.04 -0.66 -4.78 113.70 106.89 3fim s SER 510 Ca 0.55 -1.07 -0.19 0.00 0.48 0.00 0.00 55.95 55.72 3fim s SER 510 Cb -0.14 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3fim s SER 510 CO 0.18 -1.13 1.29 -2.65 0.98 0.00 0.00 173.24 171.92 3fim n PRO 511 N -0.39 1.26 -1.63 4.02 -0.02 -1.26 -3.11 135.00 133.87 3fim n PRO 511 Ca -0.01 0.48 -0.48 0.00 -2.02 0.00 0.00 63.50 61.48 3fim n PRO 511 Cb 0.62 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 3fim n PRO 511 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fim n ARG 512 N -1.60 1.68 0.00 -0.52 1.74 -1.26 -1.02 116.66 115.68 3fim n ARG 512 Ca 0.14 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 3fim n ARG 512 Cb 0.47 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 3fim n ARG 512 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fim n GLY 513 N 2.56 2.59 3.67 -0.13 0.00 -1.26 -5.03 105.19 107.60 3fim n GLY 513 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3fim n GLY 513 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fim s ALA 514 N -2.54 1.37 -2.46 4.61 0.00 -0.19 -4.92 121.76 117.64 3fim s ALA 514 Ca 0.00 0.48 0.23 0.00 0.00 0.00 0.00 51.96 52.67 3fim s ALA 514 Cb 0.00 -3.41 0.39 0.00 0.00 0.00 0.00 23.12 20.10 3fim s ALA 514 CO 0.00 -2.76 1.37 -1.13 0.00 0.00 0.00 175.76 173.24 3fim n SER 515 N -4.22 3.39 -4.56 0.00 3.41 -1.26 -4.85 113.62 105.52 3fim n SER 515 Ca 0.11 -1.98 -0.26 0.00 -0.26 0.00 0.00 58.87 56.47 3fim n SER 515 Cb 0.52 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 3fim n SER 515 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3fim s TRP 516 N -1.51 2.40 0.00 7.33 1.48 -1.26 -5.00 118.94 122.38 3fim s TRP 516 Ca 0.37 -0.60 0.00 0.00 -1.06 0.00 0.00 56.10 54.81 3fim s TRP 516 Cb 0.22 -1.51 0.00 0.00 -1.16 0.00 0.00 33.47 31.02 3fim s TRP 516 CO 0.31 0.49 0.00 0.41 -4.06 0.00 0.00 176.95 174.10 3fim n GLY 517 N -0.84 2.08 0.05 3.67 0.00 -1.26 -4.75 105.19 104.14 3fim n GLY 517 Ca -0.05 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 3fim n GLY 517 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fim n VAL 518 N 1.91 0.64 -4.30 1.61 0.31 0.93 -4.76 118.33 114.67 3fim n VAL 518 Ca 0.00 -0.46 -0.18 0.00 -0.01 0.00 0.00 64.34 63.69 3fim n VAL 518 Cb 0.00 -0.49 -0.11 0.00 -0.91 0.00 0.00 33.84 32.33 3fim n VAL 518 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3fim s VAL 519 N -2.41 1.55 0.96 2.52 -7.23 -1.02 -1.36 120.40 113.41 3fim s VAL 519 Ca -0.06 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.96 3fim s VAL 519 Cb 0.04 -1.84 0.17 0.00 0.56 0.00 0.00 36.38 35.32 3fim s VAL 519 CO 0.49 -0.52 1.22 -1.81 -0.31 0.00 0.00 175.10 174.17 3fim s ASP 520 N -2.94 3.16 0.57 4.85 1.01 0.10 -1.65 116.67 121.77 3fim s ASP 520 Ca 0.17 0.57 0.37 0.00 0.71 0.00 0.00 52.55 54.37 3fim s ASP 520 Cb -0.02 -0.85 1.77 0.00 1.01 0.00 0.00 42.92 44.83 3fim s ASP 520 CO 0.05 -2.73 2.11 -0.65 0.21 0.00 0.00 175.17 174.16 3fim h PRO 521 N -1.63 0.00 -0.25 8.23 0.11 -1.87 -1.09 132.00 135.50 3fim h PRO 521 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fim h PRO 521 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3fim h PRO 521 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3fim n ASP 522 N -3.00 1.72 0.00 -2.05 5.68 -1.26 -4.94 116.55 112.71 3fim n ASP 522 Ca -0.01 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 3fim n ASP 522 Cb 0.19 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3fim n ASP 522 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fim n LEU 523 N 0.39 0.00 -4.73 -2.12 4.77 -0.41 -4.88 117.00 110.01 3fim n LEU 523 Ca 0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 3fim n LEU 523 Cb 0.31 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 3fim n LEU 523 CO 0.11 0.00 0.68 -0.54 -1.33 0.00 0.00 177.39 176.31 3fim s LYS 524 N -1.19 4.69 0.17 3.23 1.02 -1.26 -1.52 119.74 124.88 3fim s LYS 524 Ca 0.00 1.49 -0.32 0.00 0.02 0.00 0.00 55.97 57.17 3fim s LYS 524 Cb 0.00 -3.36 -0.11 0.00 -0.52 0.00 0.00 37.83 33.84 3fim s LYS 524 CO 0.00 0.21 1.78 0.28 -0.92 0.00 0.00 175.35 176.70 3fim n VAL 525 N 2.65 0.18 -2.39 3.17 0.31 -0.80 0.01 118.33 121.46 3fim n VAL 525 Ca 0.02 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 3fim n VAL 525 Cb 0.49 -2.06 -0.04 0.00 -0.91 0.00 0.00 33.84 31.32 3fim n VAL 525 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3fim s LYS 526 N 1.92 4.51 0.00 5.55 1.02 -0.46 -3.42 119.74 128.85 3fim s LYS 526 Ca 0.78 1.88 0.00 0.00 0.02 0.00 0.00 55.97 58.65 3fim s LYS 526 Cb -0.49 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 3fim s LYS 526 CO 0.34 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 3fim n GLY 527 N 1.02 0.65 2.99 -3.33 0.00 -1.26 -4.99 105.19 100.27 3fim n GLY 527 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3fim n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fim s VAL 528 N -2.59 0.12 -0.01 1.61 1.01 -1.22 -4.21 120.40 115.11 3fim s VAL 528 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3fim s VAL 528 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3fim s VAL 528 CO 0.00 -0.55 -0.06 -0.62 0.00 0.00 0.00 175.10 173.87 3fim s ASP 529 N -1.60 4.67 0.00 3.32 2.15 0.27 -4.74 116.67 120.73 3fim s ASP 529 Ca -0.14 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.74 3fim s ASP 529 Cb -0.08 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 3fim s ASP 529 CO -0.02 0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.89 3fim n GLY 530 N 1.70 0.67 3.22 2.66 0.00 -1.26 -1.64 105.19 110.54 3fim n GLY 530 Ca -0.16 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3fim n GLY 530 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fim s LEU 531 N 0.00 2.05 -0.01 0.99 2.96 -1.26 -1.50 118.68 121.91 3fim s LEU 531 Ca 0.00 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3fim s LEU 531 Cb 0.00 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.34 3fim s LEU 531 CO 0.00 0.19 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.55 3fim s ARG 532 N 0.15 0.58 -0.20 1.98 6.06 -0.49 -1.90 118.95 125.12 3fim s ARG 532 Ca -0.12 -0.24 -0.02 0.00 -2.50 0.00 0.00 55.73 52.85 3fim s ARG 532 Cb -0.16 -0.56 0.00 0.00 0.06 0.00 0.00 34.95 34.29 3fim s ARG 532 CO 0.06 0.14 -0.10 0.42 -2.50 0.00 0.00 175.30 173.32 3fim s ILE 533 N -0.11 2.88 -0.37 4.11 1.01 -0.58 -0.15 121.20 128.00 3fim s ILE 533 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3fim s ILE 533 Cb -0.03 -2.28 0.12 0.00 0.01 0.00 0.00 42.46 40.28 3fim s ILE 533 CO -0.00 0.47 0.18 -0.69 0.00 0.00 0.00 174.94 174.90 3fim s VAL 534 N 1.35 0.88 0.02 2.92 1.01 -0.18 -4.84 120.40 121.56 3fim s VAL 534 Ca 0.05 -1.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.02 3fim s VAL 534 Cb -0.14 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3fim s VAL 534 CO -0.06 -0.84 0.41 -0.90 0.00 0.00 0.00 175.10 173.71 3fim n ASP 535 N 4.15 -0.48 0.32 3.32 5.68 -1.26 -4.30 116.55 123.97 3fim n ASP 535 Ca 0.05 -1.17 0.20 0.00 -0.50 0.00 0.00 54.79 53.37 3fim n ASP 535 Cb 0.38 0.76 1.07 0.00 -1.14 0.00 0.00 41.12 42.19 3fim n ASP 535 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3fim h GLY 536 N 0.68 0.00 2.00 6.12 0.00 -1.91 -3.14 103.07 106.82 3fim h GLY 536 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3fim h GLY 536 CO 0.11 0.00 -0.12 1.48 0.00 0.00 0.00 176.54 178.01 3fim h SER 537 N 0.00 0.00 1.41 0.19 4.64 -1.87 -2.86 113.55 115.06 3fim h SER 537 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3fim h SER 537 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3fim h SER 537 CO -0.00 0.12 -0.08 2.30 -0.87 0.00 0.00 176.83 178.30 3fim n ILE 538 N -3.45 0.58 -2.40 0.95 -6.64 -1.19 -0.69 119.36 106.53 3fim n ILE 538 Ca -0.01 -0.29 -0.43 0.00 -1.77 0.00 0.00 62.75 60.25 3fim n ILE 538 Cb 0.28 -0.53 -0.02 0.00 -1.44 0.00 0.00 39.64 37.93 3fim n ILE 538 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 3fim s LEU 539 N -4.53 4.19 0.00 7.28 1.43 -1.08 -1.45 118.68 124.51 3fim s LEU 539 Ca 0.10 1.72 0.30 0.00 -1.03 0.00 0.00 54.13 55.22 3fim s LEU 539 Cb 0.12 -3.54 1.48 0.00 0.03 0.00 0.00 46.19 44.29 3fim s LEU 539 CO 0.62 -0.78 2.01 -0.81 0.23 0.00 0.00 176.35 177.62 3fim n PRO 540 N 6.65 0.75 -3.84 1.29 -0.04 -1.26 -1.95 135.00 136.60 3fim n PRO 540 Ca 0.14 -0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 3fim n PRO 540 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 3fim n PRO 540 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3fim s PHE 541 N -2.35 -0.07 0.10 0.54 0.08 -1.26 -4.91 117.98 110.11 3fim s PHE 541 Ca 0.34 0.16 -0.34 0.00 0.12 0.00 0.00 56.93 57.22 3fim s PHE 541 Cb 0.21 0.01 -0.13 0.00 -0.57 0.00 0.00 43.02 42.53 3fim s PHE 541 CO 0.44 -0.18 1.68 0.00 -0.10 0.00 0.00 175.22 177.06 3fim n ALA 542 N 2.29 1.40 -1.92 5.36 0.00 -1.26 -4.98 120.51 121.40 3fim n ALA 542 Ca -0.17 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.38 3fim n ALA 542 Cb 0.57 -2.42 0.08 0.00 0.00 0.00 0.00 19.45 17.68 3fim n ALA 542 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fim s PRO 543 N 1.86 2.11 -1.57 0.00 0.04 -1.26 -4.95 135.00 131.23 3fim s PRO 543 Ca 0.82 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 3fim s PRO 543 Cb -0.65 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 3fim s PRO 543 CO 0.41 -1.41 2.77 0.09 0.04 0.00 0.00 177.00 178.89 3fim n ASN 544 N -3.13 7.65 -3.65 6.66 3.02 -1.26 -4.82 115.26 119.72 3fim n ASN 544 Ca 0.08 -2.66 -0.03 0.00 -0.03 0.00 0.00 54.58 51.94 3fim n ASN 544 Cb 0.61 -1.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.14 3fim n ASN 544 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fim s ALA 545 N 2.20 -2.22 0.38 5.41 0.00 -1.26 -3.72 121.76 122.55 3fim s ALA 545 Ca 0.64 1.69 -0.26 0.00 0.00 0.00 0.00 51.96 54.03 3fim s ALA 545 Cb 0.17 -1.76 -0.11 0.00 0.00 0.00 0.00 23.12 21.42 3fim s ALA 545 CO -0.07 -0.11 1.18 0.72 0.00 0.00 0.00 175.76 177.49 3fim n HIS 546 N 1.53 1.86 1.30 0.00 8.25 -1.26 -4.96 115.22 121.94 3fim n HIS 546 Ca -0.10 0.56 0.14 0.00 -0.26 0.00 0.00 57.72 58.06 3fim n HIS 546 Cb 0.57 -2.34 0.60 0.00 1.12 0.00 0.00 29.99 29.94 3fim n HIS 546 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fim n THR 547 N -0.03 0.00 -0.30 1.59 -2.24 -1.26 -3.68 114.28 108.35 3fim n THR 547 Ca 0.07 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 3fim n THR 547 Cb 0.37 -0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.48 3fim n THR 547 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3fim h GLN 548 N 0.31 1.13 0.69 -0.78 3.07 -1.90 -1.86 115.11 115.77 3fim h GLN 548 Ca 0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 58.65 58.60 3fim h GLN 548 Cb 0.38 -0.23 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 3fim h GLN 548 CO 0.00 0.80 -0.41 0.78 0.09 0.00 0.00 178.83 180.09 3fim h GLY 549 N 1.13 -1.13 1.01 0.06 0.00 -1.67 -0.25 103.07 102.23 3fim h GLY 549 Ca 0.29 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 3fim h GLY 549 CO -0.05 -0.40 0.50 -2.55 0.00 0.00 0.00 176.54 174.04 3fim h PRO 550 N -1.04 1.15 -0.83 4.80 0.11 -1.70 -3.05 132.00 131.45 3fim h PRO 550 Ca -0.09 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 3fim h PRO 550 Cb 0.83 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.66 3fim h PRO 550 CO 0.10 0.82 0.51 0.82 -0.21 0.00 0.00 178.00 180.03 3fim h ILE 551 N 1.16 1.22 -0.77 4.15 2.04 -1.14 -1.58 117.51 122.58 3fim h ILE 551 Ca 0.30 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3fim h ILE 551 Cb -0.03 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 3fim h ILE 551 CO -0.05 0.23 0.48 1.88 0.00 0.00 0.00 178.15 180.68 3fim h TYR 552 N 1.13 1.01 -0.80 1.37 0.05 -0.98 0.65 116.97 119.40 3fim h TYR 552 Ca 0.30 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 59.04 3fim h TYR 552 Cb -0.07 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.30 3fim h TYR 552 CO 0.00 0.66 0.33 -0.07 -1.05 0.00 0.00 178.16 178.04 3fim h LEU 553 N 1.06 1.09 -0.18 3.88 3.38 -1.29 0.54 115.31 123.79 3fim h LEU 553 Ca 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3fim h LEU 553 Cb -0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3fim h LEU 553 CO -0.05 0.96 0.07 0.58 0.09 0.00 0.00 178.44 180.09 3fim h VAL 554 N 1.16 1.15 -0.36 1.22 2.07 -0.81 0.91 116.25 121.60 3fim h VAL 554 Ca 0.27 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.40 3fim h VAL 554 Cb 0.20 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 3fim h VAL 554 CO -0.02 0.15 -0.14 1.23 0.02 0.00 0.00 177.57 178.80 3fim h GLY 555 N 0.14 0.17 0.65 2.17 0.00 -0.72 0.20 103.07 105.67 3fim h GLY 555 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3fim h GLY 555 CO -0.01 -0.17 -0.30 0.50 0.00 0.00 0.00 176.54 176.56 3fim h LYS 556 N -0.07 -0.60 -0.93 4.80 1.79 -0.76 -1.82 116.57 118.97 3fim h LYS 556 Ca 0.18 0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 3fim h LYS 556 Cb 0.34 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 3fim h LYS 556 CO -0.41 -0.40 0.57 0.37 -1.08 0.00 0.00 179.45 178.50 3fim h GLN 557 N -0.63 1.25 -0.77 3.15 4.15 -0.76 -2.95 115.11 118.55 3fim h GLN 557 Ca -0.01 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3fim h GLN 557 Cb 0.58 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3fim h GLN 557 CO -0.07 0.86 0.46 0.78 -1.93 0.00 0.00 178.83 178.94 3fim h GLY 558 N 1.27 1.12 0.95 2.39 0.00 -0.61 0.24 103.07 108.43 3fim h GLY 558 Ca 0.33 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.21 3fim h GLY 558 CO -0.06 0.46 0.40 0.00 0.00 0.00 0.00 176.54 177.33 3fim h ALA 559 N 1.25 0.80 -0.45 3.60 0.00 -1.20 -0.50 119.26 122.76 3fim h ALA 559 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fim h ALA 559 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3fim h ALA 559 CO -0.05 0.18 0.23 -0.44 0.00 0.00 0.00 179.25 179.17 3fim h ASP 560 N 0.81 0.58 -0.74 0.00 5.19 -1.05 -0.92 116.42 120.29 3fim h ASP 560 Ca 0.24 -0.12 0.07 0.00 -0.62 0.00 0.00 57.03 56.61 3fim h ASP 560 Cb -0.05 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.25 3fim h ASP 560 CO -0.07 0.53 0.41 -0.07 -3.12 0.00 0.00 179.24 176.92 3fim h LEU 561 N 0.59 0.60 -0.17 1.55 3.38 -0.25 -0.49 115.31 120.52 3fim h LEU 561 Ca 0.16 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3fim h LEU 561 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3fim h LEU 561 CO -0.02 0.37 0.04 0.40 0.09 0.00 0.00 178.44 179.32 3fim h ILE 562 N 0.73 1.20 -0.58 1.22 2.04 -0.90 -2.90 117.51 118.33 3fim h ILE 562 Ca 0.34 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3fim h ILE 562 Cb 0.26 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3fim h ILE 562 CO -0.21 0.20 0.39 0.11 0.00 0.00 0.00 178.15 178.63 3fim h LYS 563 N 0.08 0.67 0.00 2.37 1.57 -0.75 -2.80 116.57 117.71 3fim h LYS 563 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3fim h LYS 563 Cb 0.27 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3fim h LYS 563 CO 0.00 0.44 -0.03 0.00 -0.57 0.00 0.00 179.45 179.29 3fim h ALA 564 N 1.66 1.04 -0.67 3.86 0.00 -0.88 -1.82 119.26 122.46 3fim h ALA 564 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fim h ALA 564 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fim h ALA 564 CO -0.06 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.97 3fim n ASP 565 N -3.19 3.85 0.00 0.00 8.00 -1.06 -5.10 116.55 119.05 3fim n ASP 565 Ca -0.01 -2.10 0.12 0.00 0.71 0.00 0.00 54.79 53.51 3fim n ASP 565 Cb 0.23 -0.48 0.71 0.00 -0.02 0.00 0.00 41.12 41.55 3fim n ASP 565 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81