#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrg s GLU 2 N 0.00 4.32 -0.37 0.00 2.56 -1.26 -4.75 118.70 119.20 1jrg s GLU 2 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 54.97 55.59 1jrg s GLU 2 Cb 0.00 -3.08 0.02 0.00 2.00 0.00 0.00 34.13 33.07 1jrg s GLU 2 CO 0.00 0.51 1.14 -1.17 -0.56 0.00 0.00 175.26 175.18 1jrg s LEU 3 N -1.54 3.82 -0.01 2.70 2.96 -1.26 -4.86 118.68 120.50 1jrg s LEU 3 Ca 0.37 0.89 0.11 0.00 -0.22 0.00 0.00 54.13 55.28 1jrg s LEU 3 Cb -0.19 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.81 1jrg s LEU 3 CO 0.22 -1.04 0.36 1.33 -1.32 0.00 0.00 176.35 175.89 1jrg n VAL 4 N 6.26 0.00 -3.10 1.68 0.24 -1.26 -4.94 118.33 117.22 1jrg n VAL 4 Ca 0.13 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 1jrg n VAL 4 Cb 0.48 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 1jrg n VAL 4 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jrg s SER 5 N -2.62 6.53 0.54 -1.34 0.15 -1.26 -4.93 113.70 110.77 1jrg s SER 5 Ca 0.00 0.52 0.28 0.00 0.70 0.00 0.00 55.95 57.45 1jrg s SER 5 Cb 0.08 -2.34 1.56 0.00 -1.71 0.00 0.00 66.02 63.60 1jrg s SER 5 CO 0.45 -0.47 2.12 0.44 1.20 0.00 0.00 173.24 176.99 1jrg h ASP 6 N 8.11 0.00 -0.02 5.45 3.32 -2.00 -2.71 116.42 128.58 1jrg h ASP 6 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1jrg h ASP 6 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1jrg h ASP 6 CO 0.80 0.09 -0.28 0.29 -1.72 0.00 0.00 179.24 178.42 1jrg n LYS 7 N -3.68 1.59 -0.34 3.56 4.76 -1.26 -4.65 118.16 118.14 1jrg n LYS 7 Ca -0.02 -1.23 0.20 0.00 -2.87 0.00 0.00 58.31 54.39 1jrg n LYS 7 Cb 0.20 -1.41 0.42 0.00 -1.84 0.00 0.00 35.03 32.39 1jrg n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jrg h ALA 8 N 3.77 1.84 -0.58 7.82 0.00 -1.89 -2.32 119.26 127.90 1jrg h ALA 8 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jrg h ALA 8 Cb 0.76 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jrg h ALA 8 CO 0.00 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.12 1jrg n LEU 9 N -4.97 3.22 -4.80 0.00 4.77 -1.26 -4.78 117.00 109.18 1jrg n LEU 9 Ca 0.29 -1.61 -0.39 0.00 -0.03 0.00 0.00 56.01 54.27 1jrg n LEU 9 Cb 0.84 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1jrg n LEU 9 CO 0.13 0.77 0.32 -1.83 -1.33 0.00 0.00 177.39 175.45 1jrg s GLU 10 N -1.28 4.30 0.66 3.23 -1.05 -0.88 -4.77 118.70 118.90 1jrg s GLU 10 Ca 0.39 0.84 -0.01 0.00 -0.15 0.00 0.00 54.97 56.04 1jrg s GLU 10 Cb 0.21 -3.25 0.08 0.00 -0.44 0.00 0.00 34.13 30.73 1jrg s GLU 10 CO 0.26 0.61 0.92 -1.54 0.95 0.00 0.00 175.26 176.46 1jrg s SER 11 N -1.07 4.74 0.80 0.83 1.04 -1.26 -4.98 113.70 113.79 1jrg s SER 11 Ca 0.31 -0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.52 1jrg s SER 11 Cb -0.20 -0.53 0.05 0.00 0.10 0.00 0.00 66.02 65.44 1jrg s SER 11 CO 0.21 -1.57 0.98 0.00 0.98 0.00 0.00 173.24 173.84 1jrg n ALA 12 N -2.69 -0.56 -1.52 5.32 0.00 -0.45 -4.96 120.51 115.65 1jrg n ALA 12 Ca 0.11 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 1jrg n ALA 12 Cb 0.60 -2.12 0.05 0.00 0.00 0.00 0.00 19.45 17.98 1jrg n ALA 12 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1jrg s PRO 13 N -3.74 2.82 0.11 0.00 0.02 -1.26 -4.87 135.00 128.07 1jrg s PRO 13 Ca 0.70 1.37 0.15 0.00 0.02 0.00 0.00 61.00 63.25 1jrg s PRO 13 Cb -0.30 -1.95 0.66 0.00 0.02 0.00 0.00 34.50 32.92 1jrg s PRO 13 CO 0.54 -1.23 1.46 0.25 -0.33 0.00 0.00 177.00 177.68 1jrg n THR 14 N -2.42 1.16 -3.24 0.99 -2.24 -1.26 -4.55 114.28 102.73 1jrg n THR 14 Ca 0.10 0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 61.85 1jrg n THR 14 Cb 0.52 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 1jrg n THR 14 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jrg s VAL 15 N -3.15 5.12 0.00 2.28 1.01 -1.26 -4.79 120.40 119.61 1jrg s VAL 15 Ca 0.04 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1jrg s VAL 15 Cb 0.07 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1jrg s VAL 15 CO 0.24 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1jrg n GLY 16 N 3.10 2.84 0.28 4.51 0.00 -1.26 -4.81 105.19 109.85 1jrg n GLY 16 Ca -0.06 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1jrg n GLY 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1jrg h TRP 17 N 0.00 0.00 0.00 1.61 4.06 -1.89 -2.14 115.95 117.59 1jrg h TRP 17 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jrg h TRP 17 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1jrg h TRP 17 CO 0.00 0.02 0.00 0.00 -3.56 0.00 0.00 178.44 174.90 1jrg n ALA 18 N -2.39 1.36 -0.84 1.49 0.00 -1.25 -1.71 120.51 117.18 1jrg n ALA 18 Ca -0.03 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1jrg n ALA 18 Cb 0.11 -1.22 0.25 0.00 0.00 0.00 0.00 19.45 18.59 1jrg n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jrg n SER 19 N -1.82 3.77 -4.69 0.00 7.64 -0.80 -3.32 113.62 114.41 1jrg n SER 19 Ca 0.01 -2.82 -0.35 0.00 1.01 0.00 0.00 58.87 56.72 1jrg n SER 19 Cb 0.11 -0.49 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 1jrg n SER 19 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1jrg s GLN 20 N -2.48 3.33 -1.20 1.43 -1.52 -0.69 -4.43 119.66 114.11 1jrg s GLN 20 Ca 0.39 -0.36 -0.03 0.00 -1.95 0.00 0.00 55.36 53.41 1jrg s GLN 20 Cb 0.30 -2.96 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1jrg s GLN 20 CO 0.10 0.59 1.02 -1.71 -0.25 0.00 0.00 175.29 175.04 1jrg n ASN 21 N 2.53 -3.57 0.00 5.90 5.15 -1.26 -4.82 115.26 119.19 1jrg n ASN 21 Ca -0.18 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 1jrg n ASN 21 Cb 0.53 -4.87 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 1jrg n ASN 21 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jrg n GLY 22 N -1.43 3.17 3.91 8.20 0.00 -1.26 -5.09 105.19 112.70 1jrg n GLY 22 Ca -0.17 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 1jrg n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jrg s PHE 23 N -2.67 3.48 -0.42 1.61 0.40 -1.26 -4.20 117.98 114.93 1jrg s PHE 23 Ca 0.00 0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 56.80 1jrg s PHE 23 Cb 0.00 -2.04 0.08 0.00 0.51 0.00 0.00 43.02 41.57 1jrg s PHE 23 CO 0.00 0.17 0.25 0.99 0.70 0.00 0.00 175.22 177.34 1jrg s THR 24 N -2.12 4.19 -0.54 0.64 2.01 -1.21 -4.89 115.64 113.73 1jrg s THR 24 Ca 0.43 -1.41 0.11 0.00 0.31 0.00 0.00 61.69 61.13 1jrg s THR 24 Cb -0.11 -3.57 -0.12 0.00 0.01 0.00 0.00 72.50 68.71 1jrg s THR 24 CO 0.31 -0.50 0.48 0.35 -0.69 0.00 0.00 174.62 174.57 1jrg n THR 25 N 4.90 0.00 0.00 -0.82 -2.24 -1.26 -1.34 114.28 113.52 1jrg n THR 25 Ca -0.10 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1jrg n THR 25 Cb 0.43 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1jrg n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrg n GLY 26 N 1.26 3.61 1.46 3.38 0.00 -1.26 -2.10 105.19 111.54 1jrg n GLY 26 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1jrg n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrg n GLY 27 N 0.00 4.38 0.19 -0.02 0.00 -1.23 -3.92 105.19 104.59 1jrg n GLY 27 Ca 0.00 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 45.02 1jrg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg h ALA 28 N 1.53 1.05 -0.61 4.61 0.00 -1.70 0.65 119.26 124.79 1jrg h ALA 28 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jrg h ALA 28 Cb 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1jrg h ALA 28 CO 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1jrg n ALA 29 N -1.78 2.84 -1.74 0.00 0.00 -1.26 -4.96 120.51 113.61 1jrg n ALA 29 Ca -0.02 -1.33 -0.38 0.00 0.00 0.00 0.00 53.44 51.71 1jrg n ALA 29 Cb 0.10 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.59 1jrg n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jrg n ALA 30 N 1.14 1.49 -1.98 0.00 0.00 0.22 -4.87 120.51 116.51 1jrg n ALA 30 Ca 0.23 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.54 1jrg n ALA 30 Cb 0.73 -2.34 0.05 0.00 0.00 0.00 0.00 19.45 17.89 1jrg n ALA 30 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jrg s THR 31 N -1.30 2.62 0.32 0.00 -4.23 -1.26 -4.95 115.64 106.84 1jrg s THR 31 Ca 0.73 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.94 1jrg s THR 31 Cb -0.42 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 70.65 1jrg s THR 31 CO 0.48 -0.07 1.85 0.28 -0.54 0.00 0.00 174.62 176.62 1jrg h SER 32 N -0.33 0.79 0.39 3.99 0.02 -1.96 -0.71 113.55 115.74 1jrg h SER 32 Ca -0.44 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1jrg h SER 32 Cb 1.30 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1jrg h SER 32 CO 0.58 0.40 0.00 0.47 -1.14 0.00 0.00 176.83 177.14 1jrg n ASP 33 N -4.60 0.00 -1.54 3.07 8.00 -1.26 -3.09 116.55 117.14 1jrg n ASP 33 Ca 0.18 0.26 -0.13 0.00 0.71 0.00 0.00 54.79 55.81 1jrg n ASP 33 Cb 0.42 -0.38 0.09 0.00 -0.02 0.00 0.00 41.12 41.23 1jrg n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jrg n ASN 34 N -1.38 3.77 -4.11 -2.24 3.02 -0.27 -4.85 115.26 109.19 1jrg n ASN 34 Ca 0.06 -3.78 -0.33 0.00 -0.03 0.00 0.00 54.58 50.50 1jrg n ASN 34 Cb 0.15 -0.41 -0.16 0.00 -0.61 0.00 0.00 39.78 38.75 1jrg n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jrg s ILE 35 N -4.10 2.02 0.30 2.41 1.01 -1.18 -0.88 121.20 120.78 1jrg s ILE 35 Ca 0.46 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 60.26 1jrg s ILE 35 Cb 0.40 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 1jrg s ILE 35 CO 0.00 0.52 -0.09 -0.31 0.00 0.00 0.00 174.94 175.06 1jrg s TYR 36 N 1.30 2.12 -0.14 3.97 1.51 0.10 0.72 117.35 126.93 1jrg s TYR 36 Ca 0.05 -0.59 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1jrg s TYR 36 Cb -0.13 -1.17 0.05 0.00 -0.11 0.00 0.00 41.96 40.59 1jrg s TYR 36 CO -0.13 0.42 0.02 0.42 -1.11 0.00 0.00 175.55 175.18 1jrg s ILE 37 N -2.83 0.46 -0.03 2.71 1.01 -1.26 -1.00 121.20 120.26 1jrg s ILE 37 Ca 0.30 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1jrg s ILE 37 Cb 0.02 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1jrg s ILE 37 CO 0.13 -0.01 -0.15 0.68 0.00 0.00 0.00 174.94 175.59 1jrg s VAL 38 N 1.91 2.97 0.00 2.92 -7.23 -0.48 -4.97 120.40 115.52 1jrg s VAL 38 Ca 0.02 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1jrg s VAL 38 Cb -0.15 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1jrg s VAL 38 CO -0.07 0.53 0.04 0.35 -0.31 0.00 0.00 175.10 175.63 1jrg n THR 39 N 2.11 0.00 -3.91 5.32 -2.24 -1.26 -1.31 114.28 113.00 1jrg n THR 39 Ca -0.17 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 1jrg n THR 39 Cb 0.52 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 1jrg n THR 39 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jrg s ASN 40 N -0.80 -0.04 0.39 3.42 2.20 -1.26 -4.59 114.94 114.26 1jrg s ASN 40 Ca 0.00 -0.77 0.11 0.00 -0.94 0.00 0.00 52.86 51.26 1jrg s ASN 40 Cb 0.00 0.48 0.91 0.00 -2.00 0.00 0.00 41.25 40.64 1jrg s ASN 40 CO 0.00 -0.95 1.92 -0.29 -2.94 0.00 0.00 177.10 174.85 1jrg h ILE 41 N 2.44 0.87 -0.01 0.54 6.09 -1.93 -0.75 117.51 124.77 1jrg h ILE 41 Ca -0.31 -0.20 -0.13 0.00 -1.37 0.00 0.00 64.86 62.86 1jrg h ILE 41 Cb 1.24 0.25 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 1jrg h ILE 41 CO 0.45 0.10 -0.59 -1.28 -3.07 0.00 0.00 178.15 173.76 1jrg h SER 42 N 0.57 0.02 0.67 2.19 0.87 -1.97 0.16 113.55 116.06 1jrg h SER 42 Ca 0.36 -0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 60.69 1jrg h SER 42 Cb 0.63 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1jrg h SER 42 CO -0.13 0.61 -0.99 -0.33 -0.53 0.00 0.00 176.83 175.46 1jrg h GLU 43 N 0.01 0.18 -0.18 2.24 5.08 -1.74 -1.84 114.58 118.33 1jrg h GLU 43 Ca -0.01 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1jrg h GLU 43 Cb 1.04 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1jrg h GLU 43 CO 0.08 1.02 -0.14 0.35 -1.00 0.00 0.00 179.01 179.32 1jrg h PHE 44 N 0.08 0.50 -0.42 4.33 3.57 -0.82 -2.08 116.94 122.09 1jrg h PHE 44 Ca -0.06 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.19 1jrg h PHE 44 Cb 1.66 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.28 1jrg h PHE 44 CO 0.03 0.76 -0.18 1.79 -2.23 0.00 0.00 178.31 178.48 1jrg h THR 45 N 0.09 1.27 -0.69 4.41 1.35 -0.74 -1.45 112.91 117.14 1jrg h THR 45 Ca 0.03 -1.29 -0.05 0.00 -0.55 0.00 0.00 66.41 64.55 1jrg h THR 45 Cb 0.66 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 1jrg h THR 45 CO 0.04 0.44 0.22 0.28 -0.25 0.00 0.00 175.52 176.25 1jrg h SER 46 N 0.72 1.01 -0.34 5.36 0.02 -1.33 -2.58 113.55 116.42 1jrg h SER 46 Ca 0.11 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1jrg h SER 46 Cb 0.69 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1jrg h SER 46 CO 0.05 0.94 -0.04 0.00 -1.14 0.00 0.00 176.83 176.64 1jrg h ALA 47 N 1.10 0.46 0.00 3.77 0.00 -1.19 -2.89 119.26 120.52 1jrg h ALA 47 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jrg h ALA 47 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jrg h ALA 47 CO -0.01 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1jrg n LEU 48 N -4.47 0.32 0.00 0.00 4.77 -0.56 -1.95 117.00 115.11 1jrg n LEU 48 Ca -0.02 0.61 0.02 0.00 -0.03 0.00 0.00 56.01 56.59 1jrg n LEU 48 Cb 0.31 -0.61 0.10 0.00 -2.33 0.00 0.00 43.42 40.88 1jrg n LEU 48 CO 0.40 -0.59 0.49 -1.20 -1.33 0.00 0.00 177.39 175.16 1jrg n SER 49 N -1.89 0.00 0.00 -1.43 7.64 -0.99 -3.17 113.62 113.78 1jrg n SER 49 Ca 0.01 -1.57 0.13 0.00 1.01 0.00 0.00 58.87 58.45 1jrg n SER 49 Cb 0.10 0.00 0.76 0.00 -1.01 0.00 0.00 64.21 64.06 1jrg n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jrg n ALA 50 N -0.56 2.45 -0.98 -0.43 0.00 -0.82 -4.97 120.51 115.19 1jrg n ALA 50 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jrg n ALA 50 Cb 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1jrg n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrg n GLY 51 N 0.66 3.17 0.00 0.00 0.00 -1.19 -2.26 105.19 105.57 1jrg n GLY 51 Ca 0.19 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1jrg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg n ALA 52 N 9.80 2.45 -1.75 4.61 0.00 -1.26 -4.17 120.51 130.18 1jrg n ALA 52 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1jrg n ALA 52 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 1jrg n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jrg n GLU 53 N -1.42 2.64 -1.69 0.00 4.07 -0.96 -4.42 120.64 118.86 1jrg n GLU 53 Ca 0.09 0.93 -0.43 0.00 -0.06 0.00 0.00 57.16 57.69 1jrg n GLU 53 Cb 0.31 -2.68 -0.03 0.00 -0.06 0.00 0.00 31.44 28.97 1jrg n GLU 53 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jrg n ALA 54 N 1.40 2.09 -2.92 4.31 0.00 -1.26 -4.78 120.51 119.35 1jrg n ALA 54 Ca 0.06 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 1jrg n ALA 54 Cb 0.37 -2.52 -0.11 0.00 0.00 0.00 0.00 19.45 17.19 1jrg n ALA 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jrg s LYS 55 N 2.08 0.36 -0.25 0.00 -2.85 -0.86 -4.22 119.74 114.01 1jrg s LYS 55 Ca 0.80 -0.64 0.02 0.00 -1.00 0.00 0.00 55.97 55.16 1jrg s LYS 55 Cb -0.54 0.13 0.05 0.00 -2.06 0.00 0.00 37.83 35.41 1jrg s LYS 55 CO 0.37 -0.06 -0.12 0.42 0.10 0.00 0.00 175.35 176.06 1jrg s ILE 56 N -1.66 2.18 -0.36 3.79 -1.09 -0.06 -1.99 121.20 122.01 1jrg s ILE 56 Ca -0.14 -1.48 -0.06 0.00 -2.23 0.00 0.00 60.65 56.74 1jrg s ILE 56 Cb -0.08 -2.21 0.06 0.00 -1.58 0.00 0.00 42.46 38.64 1jrg s ILE 56 CO -0.01 0.08 0.13 -0.63 -1.23 0.00 0.00 174.94 173.28 1jrg s ILE 57 N 1.15 3.72 -0.23 2.92 1.01 0.31 0.00 121.20 130.07 1jrg s ILE 57 Ca -0.06 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.10 1jrg s ILE 57 Cb -0.19 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1jrg s ILE 57 CO -0.06 -0.28 0.51 -1.10 0.00 0.00 0.00 174.94 174.00 1jrg s GLN 58 N 1.36 4.13 -0.26 2.79 -0.21 -0.17 -1.13 119.66 126.16 1jrg s GLN 58 Ca -0.00 0.35 -0.22 0.00 0.02 0.00 0.00 55.36 55.51 1jrg s GLN 58 Cb -0.21 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.19 1jrg s GLN 58 CO 0.01 -0.25 0.71 0.42 -2.12 0.00 0.00 175.29 174.07 1jrg s ILE 59 N 1.96 4.91 -0.37 1.08 -1.09 -0.37 -1.38 121.20 125.93 1jrg s ILE 59 Ca 0.22 1.24 -0.10 0.00 -2.23 0.00 0.00 60.65 59.78 1jrg s ILE 59 Cb -0.15 -4.03 0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1jrg s ILE 59 CO 0.09 -0.06 0.19 -0.75 -1.23 0.00 0.00 174.94 173.18 1jrg s LYS 60 N 2.69 2.74 3.83 2.79 2.47 -0.43 -0.98 119.74 132.85 1jrg s LYS 60 Ca 0.30 -1.16 0.00 0.00 -1.56 0.00 0.00 55.97 53.55 1jrg s LYS 60 Cb -0.15 -3.67 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 1jrg s LYS 60 CO 0.09 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.28 1jrg n GLY 61 N 4.94 0.50 3.79 5.54 0.00 -1.26 -4.40 105.19 114.30 1jrg n GLY 61 Ca -0.12 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 1jrg n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrg s THR 62 N 0.00 5.43 -0.37 2.61 2.01 -1.26 -1.16 115.64 122.91 1jrg s THR 62 Ca 0.00 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.17 1jrg s THR 62 Cb 0.00 -3.46 0.06 0.00 0.01 0.00 0.00 72.50 69.11 1jrg s THR 62 CO 0.00 0.51 0.16 -0.63 -0.69 0.00 0.00 174.62 173.97 1jrg s ILE 63 N -0.22 3.90 -0.53 1.82 -1.09 0.57 -4.66 121.20 120.99 1jrg s ILE 63 Ca 0.12 -1.29 -0.22 0.00 -2.23 0.00 0.00 60.65 57.04 1jrg s ILE 63 Cb -0.12 -3.30 0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1jrg s ILE 63 CO 0.01 -0.32 0.79 -0.62 -1.23 0.00 0.00 174.94 173.57 1jrg s ASP 64 N 1.66 6.28 0.63 3.58 2.15 -1.26 -1.82 116.67 127.89 1jrg s ASP 64 Ca 0.01 -0.66 0.36 0.00 0.43 0.00 0.00 52.55 52.69 1jrg s ASP 64 Cb -0.21 -2.36 2.03 0.00 -0.30 0.00 0.00 42.92 42.08 1jrg s ASP 64 CO 0.02 -1.07 2.26 0.40 -0.17 0.00 0.00 175.17 176.61 1jrg h ILE 65 N 5.94 0.28 -0.01 4.11 1.08 -1.38 -0.23 117.51 127.30 1jrg h ILE 65 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1jrg h ILE 65 Cb 1.08 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1jrg h ILE 65 CO 1.03 0.00 -0.02 -1.54 -0.69 0.00 0.00 178.15 176.93 1jrg n SER 66 N -3.48 0.73 -2.37 1.72 3.41 -1.26 -4.74 113.62 107.63 1jrg n SER 66 Ca -0.02 -1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 57.31 1jrg n SER 66 Cb 0.13 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1jrg n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrg n GLY 67 N 1.12 -0.39 2.43 5.00 0.00 -0.10 -0.45 105.19 112.80 1jrg n GLY 67 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1jrg n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrg n GLY 68 N -0.78 1.91 3.25 -0.02 0.00 -1.26 -5.00 105.19 103.30 1jrg n GLY 68 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1jrg n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrg s THR 69 N -3.08 4.02 0.66 2.61 2.01 0.40 -5.08 115.64 117.18 1jrg s THR 69 Ca 0.00 -1.46 -0.17 0.00 0.31 0.00 0.00 61.69 60.37 1jrg s THR 69 Cb 0.00 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 1jrg s THR 69 CO 0.00 -0.49 0.97 -0.81 -0.69 0.00 0.00 174.62 173.60 1jrg n PRO 70 N 4.86 0.72 -2.47 4.92 -0.04 -1.26 -4.82 135.00 136.91 1jrg n PRO 70 Ca -0.09 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 1jrg n PRO 70 Cb 0.43 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1jrg n PRO 70 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jrg s TYR 71 N -1.64 3.47 0.18 0.54 1.51 -1.26 -4.93 117.35 115.22 1jrg s TYR 71 Ca 0.75 1.36 0.05 0.00 -1.01 0.00 0.00 57.07 58.23 1jrg s TYR 71 Cb -0.38 -3.37 0.05 0.00 -0.11 0.00 0.00 41.96 38.14 1jrg s TYR 71 CO 0.48 -1.08 1.42 1.79 -1.11 0.00 0.00 175.55 177.04 1jrg h THR 72 N 4.55 1.52 -2.69 -0.71 1.35 -1.92 -3.48 112.91 111.53 1jrg h THR 72 Ca -0.42 -2.62 0.10 0.00 -0.55 0.00 0.00 66.41 62.92 1jrg h THR 72 Cb 1.22 2.44 -0.03 0.00 -1.73 0.00 0.00 68.15 70.04 1jrg h THR 72 CO 0.80 0.76 0.43 1.51 -0.25 0.00 0.00 175.52 178.77 1jrg s ASP 73 N -6.87 -0.06 0.18 5.36 1.47 -1.26 -5.01 116.67 110.47 1jrg s ASP 73 Ca -0.02 -0.76 -0.21 0.00 1.18 0.00 0.00 52.55 52.74 1jrg s ASP 73 Cb 0.11 0.63 0.11 0.00 -0.34 0.00 0.00 42.92 43.43 1jrg s ASP 73 CO 0.81 -1.23 1.59 0.15 0.68 0.00 0.00 175.17 177.16 1jrg h PHE 74 N 2.00 -0.95 -0.55 2.11 3.57 -1.86 -0.62 116.94 120.65 1jrg h PHE 74 Ca -0.27 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.39 1jrg h PHE 74 Cb 1.23 0.50 -0.11 0.00 2.79 0.00 0.00 35.95 40.37 1jrg h PHE 74 CO 1.04 -0.38 -0.39 0.00 -2.23 0.00 0.00 178.31 176.35 1jrg h ALA 75 N 0.95 -0.23 -0.84 2.41 0.00 -1.96 0.14 119.26 119.74 1jrg h ALA 75 Ca 0.22 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1jrg h ALA 75 Cb 0.55 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1jrg h ALA 75 CO -0.67 -0.77 0.41 0.22 0.00 0.00 0.00 179.25 178.44 1jrg h ASP 76 N -0.22 1.09 0.25 0.00 3.58 -1.66 -2.06 116.42 117.39 1jrg h ASP 76 Ca 0.19 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 1jrg h ASP 76 Cb 0.56 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1jrg h ASP 76 CO -0.66 0.91 -0.34 -0.61 -2.88 0.00 0.00 179.24 175.66 1jrg h GLN 77 N 1.20 0.15 -0.05 0.28 4.15 -0.11 -2.46 115.11 118.26 1jrg h GLN 77 Ca 0.29 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.48 1jrg h GLN 77 Cb 0.11 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1jrg h GLN 77 CO -0.04 0.48 -0.71 -0.22 -1.93 0.00 0.00 178.83 176.40 1jrg h LYS 78 N 0.13 0.28 0.00 1.69 3.64 -0.11 -2.44 116.57 119.76 1jrg h LYS 78 Ca 0.02 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1jrg h LYS 78 Cb 0.67 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1jrg h LYS 78 CO 0.05 0.88 -0.56 0.00 -2.27 0.00 0.00 179.45 177.55 1jrg n ALA 79 N -2.48 3.19 0.00 5.00 0.00 -0.84 -4.43 120.51 120.95 1jrg n ALA 79 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1jrg n ALA 79 Cb 0.69 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1jrg n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jrg n ARG 80 N -1.81 2.36 0.00 0.00 1.74 -0.94 -4.86 116.66 113.16 1jrg n ARG 80 Ca 0.04 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1jrg n ARG 80 Cb 0.39 -0.99 0.06 0.00 -1.02 0.00 0.00 32.46 30.90 1jrg n ARG 80 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jrg n SER 81 N -1.77 0.82 -4.36 0.55 3.41 -0.92 -4.79 113.62 106.57 1jrg n SER 81 Ca 0.00 -0.69 -0.46 0.00 -0.26 0.00 0.00 58.87 57.46 1jrg n SER 81 Cb 0.29 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 1jrg n SER 81 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jrg s GLN 82 N -2.97 3.54 -0.21 4.33 -1.52 -1.26 -0.53 119.66 121.04 1jrg s GLN 82 Ca 0.10 -2.21 -0.23 0.00 -1.95 0.00 0.00 55.36 51.07 1jrg s GLN 82 Cb 0.17 -4.52 -0.01 0.00 -0.22 0.00 0.00 33.01 28.43 1jrg s GLN 82 CO 0.78 -1.41 0.76 0.42 -0.25 0.00 0.00 175.29 175.59 1jrg s ILE 83 N 0.92 4.91 -0.06 1.08 -1.09 -0.16 -4.88 121.20 121.92 1jrg s ILE 83 Ca 0.20 1.45 -0.19 0.00 -2.23 0.00 0.00 60.65 59.88 1jrg s ILE 83 Cb -0.11 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1jrg s ILE 83 CO -0.08 0.01 0.52 0.20 -1.23 0.00 0.00 174.94 174.36 1jrg s ASN 84 N 1.27 6.82 -0.29 3.58 0.01 -1.26 0.35 114.94 125.42 1jrg s ASN 84 Ca 0.33 0.97 -0.12 0.00 -0.71 0.00 0.00 52.86 53.33 1jrg s ASN 84 Cb -0.16 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1jrg s ASN 84 CO 0.10 0.08 0.25 -0.63 -1.51 0.00 0.00 177.10 175.39 1jrg s ILE 85 N 0.09 5.27 1.13 0.60 -1.09 0.35 -4.92 121.20 122.62 1jrg s ILE 85 Ca 0.28 0.19 -0.19 0.00 -2.23 0.00 0.00 60.65 58.70 1jrg s ILE 85 Cb -0.17 -3.61 0.26 0.00 -1.58 0.00 0.00 42.46 37.37 1jrg s ILE 85 CO 0.13 0.17 1.20 -2.16 -1.23 0.00 0.00 174.94 173.05 1jrg s PRO 86 N 1.84 -0.67 0.64 2.79 0.04 -1.26 -4.44 135.00 133.93 1jrg s PRO 86 Ca 0.09 -0.27 -0.16 0.00 0.04 0.00 0.00 61.00 60.70 1jrg s PRO 86 Cb -0.16 -1.68 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1jrg s PRO 86 CO 0.11 -3.31 1.14 0.00 0.04 0.00 0.00 177.00 174.97 1jrg s ALA 87 N -3.37 2.47 -1.27 8.56 0.00 -1.26 -3.85 121.76 123.04 1jrg s ALA 87 Ca 0.73 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 1jrg s ALA 87 Cb -0.06 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1jrg s ALA 87 CO 0.55 -1.24 0.76 0.09 0.00 0.00 0.00 175.76 175.92 1jrg n ASN 88 N -2.13 -1.58 -4.24 0.00 3.02 -0.66 -4.40 115.26 105.26 1jrg n ASN 88 Ca 0.11 -0.79 -0.28 0.00 -0.03 0.00 0.00 54.58 53.60 1jrg n ASN 88 Cb 0.51 -4.27 -0.16 0.00 -0.61 0.00 0.00 39.78 35.25 1jrg n ASN 88 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jrg s THR 89 N -3.60 1.74 -0.25 3.41 2.01 -1.08 -2.03 115.64 115.84 1jrg s THR 89 Ca 0.03 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1jrg s THR 89 Cb -0.01 -1.45 0.06 0.00 0.01 0.00 0.00 72.50 71.12 1jrg s THR 89 CO 0.80 0.47 -0.07 -0.89 -0.69 0.00 0.00 174.62 174.24 1jrg s THR 90 N -0.53 1.80 -0.26 -0.82 2.01 -0.84 -0.74 115.64 116.26 1jrg s THR 90 Ca 0.08 -1.43 -0.12 0.00 0.31 0.00 0.00 61.69 60.54 1jrg s THR 90 Cb -0.08 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 1jrg s THR 90 CO -0.01 -0.09 0.21 -0.69 -0.69 0.00 0.00 174.62 173.35 1jrg s VAL 91 N 1.26 5.31 -0.05 3.82 1.01 0.46 -0.53 120.40 131.68 1jrg s VAL 91 Ca -0.06 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1jrg s VAL 91 Cb -0.19 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1jrg s VAL 91 CO -0.06 0.28 0.08 -0.51 0.00 0.00 0.00 175.10 174.89 1jrg s ILE 92 N 1.47 -0.13 0.50 2.22 -1.16 -0.28 -0.17 121.20 123.65 1jrg s ILE 92 Ca 0.09 0.39 -0.19 0.00 -0.51 0.00 0.00 60.65 60.43 1jrg s ILE 92 Cb -0.15 -0.17 -0.08 0.00 0.61 0.00 0.00 42.46 42.67 1jrg s ILE 92 CO 0.08 0.16 1.03 -0.83 -2.81 0.00 0.00 174.94 172.57 1jrg s GLY 93 N 2.07 2.41 0.14 1.50 0.00 0.53 -1.24 107.32 112.72 1jrg s GLY 93 Ca 0.03 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.31 1jrg s GLY 93 CO -0.04 0.84 0.18 1.08 0.00 0.00 0.00 173.10 175.17 1jrg s LEU 94 N -3.67 4.02 0.00 0.66 1.43 -0.15 -4.80 118.68 116.17 1jrg s LEU 94 Ca 0.66 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1jrg s LEU 94 Cb -0.15 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1jrg s LEU 94 CO 0.23 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1jrg n GLY 95 N -0.22 0.96 0.59 -3.19 0.00 -1.26 -3.59 105.19 98.49 1jrg n GLY 95 Ca -0.08 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.29 1jrg n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jrg n THR 96 N 0.00 0.19 -1.88 2.61 -2.24 -1.26 -4.32 114.28 107.38 1jrg n THR 96 Ca 0.00 -0.59 0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1jrg n THR 96 Cb 0.00 1.14 0.15 0.00 -2.10 0.00 0.00 70.33 69.52 1jrg n THR 96 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jrg n ASP 97 N 0.77 1.48 -4.70 3.42 5.75 -1.26 -4.49 116.55 117.53 1jrg n ASP 97 Ca 0.09 -3.29 -0.42 0.00 -0.01 0.00 0.00 54.79 51.16 1jrg n ASP 97 Cb 0.37 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 1jrg n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jrg s ALA 98 N -2.20 3.36 0.19 2.12 0.00 -1.24 -4.15 121.76 119.85 1jrg s ALA 98 Ca 0.36 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 1jrg s ALA 98 Cb 0.37 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 20.09 1jrg s ALA 98 CO -0.10 -0.53 0.50 -1.59 0.00 0.00 0.00 175.76 174.04 1jrg s LYS 99 N 1.70 1.34 -0.02 0.00 -2.85 -0.31 -1.09 119.74 118.52 1jrg s LYS 99 Ca 0.52 -0.88 0.06 0.00 -1.00 0.00 0.00 55.97 54.68 1jrg s LYS 99 Cb -0.22 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 1jrg s LYS 99 CO 0.23 -0.56 -0.20 -0.06 0.10 0.00 0.00 175.35 174.85 1jrg s PHE 100 N -3.88 1.86 0.06 1.78 0.08 0.77 -0.31 117.98 118.35 1jrg s PHE 100 Ca 0.09 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.74 1jrg s PHE 100 Cb -0.00 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1jrg s PHE 100 CO -0.03 -0.07 -0.05 0.96 -0.10 0.00 0.00 175.22 175.93 1jrg s ILE 101 N -0.36 0.40 -1.83 0.64 -4.36 -0.75 -1.31 121.20 113.63 1jrg s ILE 101 Ca 0.05 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1jrg s ILE 101 Cb -0.09 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.25 1jrg s ILE 101 CO 0.00 -0.85 0.00 0.59 0.24 0.00 0.00 174.94 174.92 1jrg n ASN 102 N 0.32 -5.89 -2.09 4.36 3.02 -1.26 -1.14 115.26 112.57 1jrg n ASN 102 Ca -0.15 0.03 -0.02 0.00 -0.03 0.00 0.00 54.58 54.40 1jrg n ASN 102 Cb 0.60 -4.93 0.01 0.00 -0.61 0.00 0.00 39.78 34.85 1jrg n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrg n GLY 103 N -0.96 1.10 3.02 7.41 0.00 -1.26 -4.22 105.19 110.27 1jrg n GLY 103 Ca -0.24 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 1jrg n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 104 N -2.19 1.21 -0.31 1.61 0.01 0.31 -4.39 113.70 109.96 1jrg s SER 104 Ca 0.11 -0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.02 1jrg s SER 104 Cb -0.02 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1jrg s SER 104 CO 0.04 0.10 0.42 -0.76 0.41 0.00 0.00 173.24 173.44 1jrg s LEU 105 N -0.05 4.22 -0.18 2.44 1.43 -0.88 -0.98 118.68 124.68 1jrg s LEU 105 Ca 0.01 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1jrg s LEU 105 Cb -0.06 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1jrg s LEU 105 CO 0.00 -0.31 -0.02 -0.63 0.23 0.00 0.00 176.35 175.62 1jrg s ILE 106 N 2.16 3.87 -0.67 -0.59 -1.09 0.16 -1.45 121.20 123.59 1jrg s ILE 106 Ca 0.16 -0.35 -0.10 0.00 -2.23 0.00 0.00 60.65 58.13 1jrg s ILE 106 Cb -0.16 -2.73 0.18 0.00 -1.58 0.00 0.00 42.46 38.17 1jrg s ILE 106 CO 0.11 0.46 0.57 -0.63 -1.23 0.00 0.00 174.94 174.21 1jrg s ILE 107 N 0.74 4.74 -0.28 2.92 -1.09 0.99 -0.50 121.20 128.73 1jrg s ILE 107 Ca -0.01 -2.41 -0.12 0.00 -2.23 0.00 0.00 60.65 55.88 1jrg s ILE 107 Cb -0.14 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1jrg s ILE 107 CO 0.02 -0.92 0.26 -0.62 -1.23 0.00 0.00 174.94 172.45 1jrg s ASP 108 N 1.94 6.11 0.00 3.58 -1.08 -1.26 -1.93 116.67 124.02 1jrg s ASP 108 Ca 0.14 0.08 0.07 0.00 -0.52 0.00 0.00 52.55 52.32 1jrg s ASP 108 Cb -0.18 -2.15 0.23 0.00 -1.46 0.00 0.00 42.92 39.35 1jrg s ASP 108 CO -0.05 -0.11 1.18 0.61 0.52 0.00 0.00 175.17 177.33 1jrg n GLY 109 N 4.93 0.05 0.27 2.66 0.00 -0.33 -3.77 105.19 109.00 1jrg n GLY 109 Ca -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1jrg n GLY 109 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jrg h THR 110 N 1.32 1.24 -0.02 2.61 2.02 -1.80 -2.73 112.91 115.56 1jrg h THR 110 Ca 0.00 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1jrg h THR 110 Cb 0.30 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1jrg h THR 110 CO 0.00 0.36 -0.00 -0.90 0.37 0.00 0.00 175.52 175.35 1jrg n ASP 111 N -4.19 1.73 0.00 4.18 5.75 -1.26 -4.89 116.55 117.87 1jrg n ASP 111 Ca 0.01 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 1jrg n ASP 111 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1jrg n ASP 111 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jrg n GLY 112 N 1.20 0.77 3.64 6.12 0.00 -1.03 -5.06 105.19 110.84 1jrg n GLY 112 Ca 0.18 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.68 1jrg n GLY 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jrg n THR 113 N -1.01 0.14 -3.78 2.61 -1.04 -1.25 -4.87 114.28 105.08 1jrg n THR 113 Ca 0.00 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 1jrg n THR 113 Cb 0.00 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.32 1jrg n THR 113 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jrg s ASN 114 N 1.69 -0.27 -0.70 8.00 2.20 -1.26 -3.99 114.94 120.60 1jrg s ASN 114 Ca 0.88 -0.47 -0.02 0.00 -0.94 0.00 0.00 52.86 52.30 1jrg s ASN 114 Cb -0.90 0.64 0.00 0.00 -2.00 0.00 0.00 41.25 39.00 1jrg s ASN 114 CO 0.50 -1.17 0.68 -3.20 -2.94 0.00 0.00 177.10 170.98 1jrg n ASN 115 N -0.45 -7.74 -4.08 3.54 5.15 -0.73 -1.72 115.26 109.22 1jrg n ASN 115 Ca -0.06 -0.01 -0.26 0.00 -0.60 0.00 0.00 54.58 53.65 1jrg n ASN 115 Cb 0.60 -5.22 -0.16 0.00 -0.53 0.00 0.00 39.78 34.46 1jrg n ASN 115 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jrg s VAL 116 N -2.94 1.35 -0.20 3.44 1.01 -0.61 -1.66 120.40 120.78 1jrg s VAL 116 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1jrg s VAL 116 Cb -0.01 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1jrg s VAL 116 CO 0.76 0.40 -0.15 -0.63 0.00 0.00 0.00 175.10 175.48 1jrg s ILE 117 N 0.46 2.38 -0.23 2.22 1.01 0.08 -0.73 121.20 126.39 1jrg s ILE 117 Ca -0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.51 1jrg s ILE 117 Cb -0.15 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1jrg s ILE 117 CO 0.04 0.42 -0.00 -0.63 0.00 0.00 0.00 174.94 174.76 1jrg s ILE 118 N 1.30 3.70 -0.07 2.92 -1.09 -0.19 -0.40 121.20 127.37 1jrg s ILE 118 Ca 0.03 -0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 58.02 1jrg s ILE 118 Cb -0.14 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1jrg s ILE 118 CO -0.10 0.39 0.17 -0.60 -1.23 0.00 0.00 174.94 173.58 1jrg s ARG 119 N 1.52 0.18 -1.40 2.79 3.52 0.76 -1.53 118.95 124.79 1jrg s ARG 119 Ca 0.06 0.29 -0.10 0.00 -0.13 0.00 0.00 55.73 55.85 1jrg s ARG 119 Cb -0.15 0.03 0.03 0.00 -1.56 0.00 0.00 34.95 33.30 1jrg s ARG 119 CO -0.01 -0.06 1.14 -1.71 -0.81 0.00 0.00 175.30 173.85 1jrg n ASN 120 N 3.32 -6.05 -4.19 -2.12 5.15 -0.46 -0.35 115.26 110.57 1jrg n ASN 120 Ca -0.16 -0.60 -0.20 0.00 -0.60 0.00 0.00 54.58 53.02 1jrg n ASN 120 Cb 0.57 -4.77 -0.13 0.00 -0.53 0.00 0.00 39.78 34.92 1jrg n ASN 120 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1jrg s VAL 121 N -3.31 1.28 -0.23 3.44 -7.23 -1.19 -3.53 120.40 109.63 1jrg s VAL 121 Ca 0.61 -1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 1jrg s VAL 121 Cb -0.28 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1jrg s VAL 121 CO 0.75 -0.11 0.14 -0.47 -0.31 0.00 0.00 175.10 175.10 1jrg s TYR 122 N -1.12 3.29 -0.26 2.82 5.04 -0.25 -1.80 117.35 125.08 1jrg s TYR 122 Ca 0.01 0.16 -0.02 0.00 -2.44 0.00 0.00 57.07 54.78 1jrg s TYR 122 Cb -0.09 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 40.02 1jrg s TYR 122 CO 0.02 0.06 -0.05 0.42 -1.34 0.00 0.00 175.55 174.66 1jrg s ILE 123 N 0.95 2.89 -0.31 3.14 -1.09 0.12 -0.16 121.20 126.73 1jrg s ILE 123 Ca 0.07 -1.10 -0.25 0.00 -2.23 0.00 0.00 60.65 57.14 1jrg s ILE 123 Cb -0.13 -2.51 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1jrg s ILE 123 CO 0.03 0.14 0.86 -1.58 -1.23 0.00 0.00 174.94 173.16 1jrg s GLN 124 N 1.31 3.98 -0.04 2.79 0.74 -0.43 -2.68 119.66 125.33 1jrg s GLN 124 Ca -0.01 0.69 -0.39 0.00 0.05 0.00 0.00 55.36 55.71 1jrg s GLN 124 Cb -0.17 -3.74 -0.17 0.00 1.10 0.00 0.00 33.01 30.03 1jrg s GLN 124 CO -0.04 -0.75 1.39 0.25 -0.55 0.00 0.00 175.29 175.60 1jrg n THR 125 N 5.63 0.06 -1.68 -0.34 -2.24 -0.67 -4.37 114.28 110.68 1jrg n THR 125 Ca 0.06 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 1jrg n THR 125 Cb 0.48 -0.75 0.06 0.00 -2.10 0.00 0.00 70.33 68.02 1jrg n THR 125 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1jrg s PRO 126 N 1.19 2.62 -0.25 -0.78 0.04 -1.26 -4.88 135.00 131.68 1jrg s PRO 126 Ca 0.90 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 63.38 1jrg s PRO 126 Cb -1.06 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1jrg s PRO 126 CO 0.54 -1.42 0.07 0.42 0.04 0.00 0.00 177.00 176.66 1jrg s ILE 127 N -2.20 4.31 -0.26 0.56 1.01 -1.26 -4.65 121.20 118.71 1jrg s ILE 127 Ca 0.69 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.88 1jrg s ILE 127 Cb -0.23 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1jrg s ILE 127 CO 0.42 0.34 1.65 -0.62 0.00 0.00 0.00 174.94 176.73 1jrg s ASP 128 N 1.59 6.25 0.00 3.58 3.68 0.03 -4.84 116.67 126.95 1jrg s ASP 128 Ca 0.06 1.50 0.09 0.00 2.13 0.00 0.00 52.55 56.33 1jrg s ASP 128 Cb -0.15 -2.53 0.54 0.00 -1.45 0.00 0.00 42.92 39.33 1jrg s ASP 128 CO 0.04 -1.38 1.13 1.33 0.13 0.00 0.00 175.17 176.41 1jrg n VAL 129 N 6.71 0.00 -2.70 1.11 0.24 -1.26 -4.21 118.33 118.22 1jrg n VAL 129 Ca 0.20 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.46 1jrg n VAL 129 Cb 0.46 -0.34 0.04 0.00 -1.47 0.00 0.00 33.84 32.53 1jrg n VAL 129 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1jrg n GLU 130 N -0.70 0.26 -0.93 7.34 2.13 -1.26 -4.77 120.64 122.71 1jrg n GLU 130 Ca 0.07 -1.13 -0.31 0.00 0.66 0.00 0.00 57.16 56.45 1jrg n GLU 130 Cb 0.03 -0.43 0.14 0.00 0.27 0.00 0.00 31.44 31.45 1jrg n GLU 130 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1jrg s PRO 131 N 0.77 1.48 -0.25 5.31 0.02 -1.26 -4.69 135.00 136.37 1jrg s PRO 131 Ca 0.26 1.48 -0.09 0.00 0.02 0.00 0.00 61.00 62.67 1jrg s PRO 131 Cb 0.12 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 1jrg s PRO 131 CO -0.10 -2.28 0.13 -1.01 -0.33 0.00 0.00 177.00 173.41 1jrg s HIS 132 N -2.63 3.20 0.03 6.54 3.76 -0.56 -4.77 115.29 120.86 1jrg s HIS 132 Ca 0.66 -0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 55.24 1jrg s HIS 132 Cb -0.22 -2.28 -0.07 0.00 1.11 0.00 0.00 32.58 31.12 1jrg s HIS 132 CO 0.56 -0.14 1.57 -0.47 -0.85 0.00 0.00 174.74 175.40 1jrg s TYR 133 N 1.43 2.51 -0.22 1.40 5.04 -1.26 -1.62 117.35 124.64 1jrg s TYR 133 Ca 0.06 0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 1jrg s TYR 133 Cb -0.15 -3.85 -0.04 0.00 0.35 0.00 0.00 41.96 38.27 1jrg s TYR 133 CO 0.06 -3.37 0.09 -1.21 -1.34 0.00 0.00 175.55 169.78 1jrg s GLU 134 N 2.75 3.88 0.35 4.97 2.02 0.54 -4.96 118.70 128.25 1jrg s GLU 134 Ca 0.70 -0.38 0.09 0.00 0.02 0.00 0.00 54.97 55.41 1jrg s GLU 134 Cb -0.36 -3.32 0.49 0.00 0.10 0.00 0.00 34.13 31.04 1jrg s GLU 134 CO 0.30 0.07 1.13 -0.22 0.02 0.00 0.00 175.26 176.56 1jrg h LYS 135 N 7.39 0.00 0.00 1.61 3.64 -1.94 -2.08 116.57 125.19 1jrg h LYS 135 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1jrg h LYS 135 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1jrg h LYS 135 CO 0.64 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.23 1jrg n GLY 136 N -1.27 0.73 0.75 5.01 0.00 -1.26 -4.85 105.19 104.30 1jrg n GLY 136 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1jrg n GLY 136 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jrg n ASP 137 N -0.53 0.81 0.00 1.61 5.75 -0.82 -5.12 116.55 118.25 1jrg n ASP 137 Ca 0.00 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1jrg n ASP 137 Cb 0.02 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1jrg n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jrg n GLY 138 N -0.17 1.89 3.88 6.12 0.00 -0.97 -4.77 105.19 111.18 1jrg n GLY 138 Ca 0.06 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1jrg n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jrg s TRP 139 N 0.00 3.46 -0.04 1.61 0.52 -1.26 0.20 118.94 123.43 1jrg s TRP 139 Ca 0.00 0.93 -0.00 0.00 0.02 0.00 0.00 56.10 57.05 1jrg s TRP 139 Cb 0.00 -2.35 0.03 0.00 -1.15 0.00 0.00 33.47 30.00 1jrg s TRP 139 CO 0.00 -0.00 0.00 -0.80 0.02 0.00 0.00 176.95 176.17 1jrg s ASN 140 N -3.07 0.81 0.21 2.95 0.01 -0.64 -4.76 114.94 110.45 1jrg s ASN 140 Ca 0.49 -0.04 -0.21 0.00 -0.71 0.00 0.00 52.86 52.39 1jrg s ASN 140 Cb -0.10 -0.29 -0.08 0.00 0.41 0.00 0.00 41.25 41.18 1jrg s ASN 140 CO 0.30 -0.13 0.74 0.00 -1.51 0.00 0.00 177.10 176.49 1jrg s ALA 141 N 1.32 3.42 -0.05 0.60 0.00 -1.26 -1.50 121.76 124.29 1jrg s ALA 141 Ca -0.05 0.21 0.14 0.00 0.00 0.00 0.00 51.96 52.25 1jrg s ALA 141 Cb -0.13 -2.85 -0.21 0.00 0.00 0.00 0.00 23.12 19.93 1jrg s ALA 141 CO -0.02 0.32 0.24 -1.91 0.00 0.00 0.00 175.76 174.39 1jrg n GLU 142 N 0.89 0.82 -3.49 0.00 4.07 -1.26 -4.61 120.64 117.06 1jrg n GLU 142 Ca -0.03 -0.10 -0.37 0.00 -0.06 0.00 0.00 57.16 56.60 1jrg n GLU 142 Cb 0.51 -1.35 -0.06 0.00 -0.06 0.00 0.00 31.44 30.48 1jrg n GLU 142 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1jrg s TRP 143 N -2.82 3.69 0.29 4.31 0.52 -1.26 -4.96 118.94 118.71 1jrg s TRP 143 Ca -0.06 0.98 0.06 0.00 0.02 0.00 0.00 56.10 57.10 1jrg s TRP 143 Cb 0.08 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 30.09 1jrg s TRP 143 CO 0.59 0.60 0.37 0.34 0.02 0.00 0.00 176.95 178.87 1jrg s ASP 144 N -1.28 5.99 -0.12 2.95 2.15 -1.26 -3.59 116.67 121.50 1jrg s ASP 144 Ca 0.27 -0.12 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 1jrg s ASP 144 Cb -0.16 -1.48 -0.26 0.00 -0.30 0.00 0.00 42.92 40.72 1jrg s ASP 144 CO 0.15 -0.23 0.43 0.00 -0.17 0.00 0.00 175.17 175.36 1jrg h ALA 145 N 1.12 0.30 -2.74 3.66 0.00 -1.49 -3.37 119.26 116.74 1jrg h ALA 145 Ca -0.49 -1.24 -0.13 0.00 0.00 0.00 0.00 54.91 53.05 1jrg h ALA 145 Cb 1.24 0.62 -0.26 0.00 0.00 0.00 0.00 17.79 19.39 1jrg h ALA 145 CO 0.58 1.03 -0.32 1.41 0.00 0.00 0.00 179.25 181.95 1jrg s MET 146 N -2.50 0.38 -0.12 0.00 -2.45 -0.92 -2.07 119.30 111.61 1jrg s MET 146 Ca -0.22 0.69 -0.00 0.00 -1.25 0.00 0.00 55.69 54.91 1jrg s MET 146 Cb 0.06 0.02 0.02 0.00 1.25 0.00 0.00 34.83 36.18 1jrg s MET 146 CO 0.75 -0.13 -0.10 1.21 1.05 0.00 0.00 175.02 177.80 1jrg s ASN 147 N 1.10 2.30 -0.26 1.11 3.04 -0.53 -1.27 114.94 120.43 1jrg s ASN 147 Ca -0.07 -0.35 -0.09 0.00 0.04 0.00 0.00 52.86 52.39 1jrg s ASN 147 Cb -0.07 -0.93 -0.04 0.00 -1.54 0.00 0.00 41.25 38.67 1jrg s ASN 147 CO -0.09 -0.10 0.11 -0.63 -3.04 0.00 0.00 177.10 173.36 1jrg s ILE 148 N 1.60 4.68 0.31 -5.21 -1.09 0.92 -0.01 121.20 122.40 1jrg s ILE 148 Ca 0.04 -0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.26 1jrg s ILE 148 Cb -0.13 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.57 1jrg s ILE 148 CO -0.08 0.31 0.65 0.28 -1.23 0.00 0.00 174.94 174.86 1jrg s THR 149 N 1.62 0.00 -1.27 2.92 -1.32 -0.81 -1.39 115.64 115.38 1jrg s THR 149 Ca 0.06 -1.18 -0.03 0.00 -1.21 0.00 0.00 61.69 59.33 1jrg s THR 149 Cb -0.15 -2.38 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 1jrg s THR 149 CO 0.06 0.00 0.98 0.59 -2.21 0.00 0.00 174.62 174.04 1jrg n ASN 150 N -0.83 -2.91 -0.67 8.08 5.03 -1.23 -1.19 115.26 121.55 1jrg n ASN 150 Ca -0.04 -0.65 -0.09 0.00 0.87 0.00 0.00 54.58 54.67 1jrg n ASN 150 Cb 0.60 -4.83 -0.04 0.00 -1.02 0.00 0.00 39.78 34.49 1jrg n ASN 150 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jrg n GLY 151 N -1.43 1.04 3.76 7.41 0.00 0.74 -3.23 105.19 113.48 1jrg n GLY 151 Ca -0.21 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1jrg n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg s ALA 152 N -2.28 3.56 0.07 4.61 0.00 -1.14 -4.75 121.76 121.83 1jrg s ALA 152 Ca 0.00 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1jrg s ALA 152 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1jrg s ALA 152 CO 0.00 -0.68 -0.06 -3.38 0.00 0.00 0.00 175.76 171.64 1jrg s HIS 153 N -0.51 0.72 -0.42 0.00 -3.43 -1.26 -1.80 115.29 108.60 1jrg s HIS 153 Ca 0.54 -0.79 -0.08 0.00 -0.80 0.00 0.00 55.06 53.93 1jrg s HIS 153 Cb -0.40 -0.44 0.01 0.00 -1.43 0.00 0.00 32.58 30.32 1jrg s HIS 153 CO 0.47 -0.17 0.49 0.72 -2.00 0.00 0.00 174.74 174.25 1jrg n HIS 154 N 0.54 -2.54 -4.56 0.38 8.25 -0.47 -1.78 115.22 115.03 1jrg n HIS 154 Ca -0.16 1.00 -0.24 0.00 -0.26 0.00 0.00 57.72 58.06 1jrg n HIS 154 Cb 0.59 -3.50 -0.16 0.00 1.12 0.00 0.00 29.99 28.03 1jrg n HIS 154 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jrg s VAL 155 N -2.51 1.08 -0.21 1.59 1.01 -0.71 -1.58 120.40 119.07 1jrg s VAL 155 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1jrg s VAL 155 Cb -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1jrg s VAL 155 CO 0.58 0.34 -0.14 0.86 0.00 0.00 0.00 175.10 176.74 1jrg s TRP 156 N 0.50 2.95 -0.30 5.22 -0.00 0.09 -1.87 118.94 125.53 1jrg s TRP 156 Ca -0.11 -1.70 -0.09 0.00 -0.00 0.00 0.00 56.10 54.20 1jrg s TRP 156 Cb -0.14 -1.97 -0.01 0.00 -0.00 0.00 0.00 33.47 31.36 1jrg s TRP 156 CO 0.03 -0.79 0.14 0.42 -0.00 0.00 0.00 176.95 176.75 1jrg s ILE 157 N 1.28 4.54 -0.02 5.86 -1.09 -0.20 -1.03 121.20 130.54 1jrg s ILE 157 Ca 0.01 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1jrg s ILE 157 Cb -0.15 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1jrg s ILE 157 CO -0.09 0.10 -0.02 -0.62 -1.23 0.00 0.00 174.94 173.09 1jrg s ASP 158 N 1.61 0.37 -1.36 3.58 2.15 -0.58 -0.19 116.67 122.24 1jrg s ASP 158 Ca 0.05 -0.04 -0.02 0.00 0.43 0.00 0.00 52.55 52.97 1jrg s ASP 158 Cb -0.17 -0.13 -0.00 0.00 -0.30 0.00 0.00 42.92 42.32 1jrg s ASP 158 CO 0.06 -0.03 0.50 1.41 -0.17 0.00 0.00 175.17 176.94 1jrg n HIS 159 N 3.55 -1.72 -4.49 -5.34 8.25 -0.58 -1.35 115.22 113.53 1jrg n HIS 159 Ca -0.20 0.74 -0.31 0.00 -0.26 0.00 0.00 57.72 57.69 1jrg n HIS 159 Cb 0.55 -3.86 -0.11 0.00 1.12 0.00 0.00 29.99 27.68 1jrg n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jrg s VAL 160 N -3.86 3.36 -0.13 1.59 1.01 -1.26 -1.53 120.40 119.59 1jrg s VAL 160 Ca 0.04 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1jrg s VAL 160 Cb -0.01 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1jrg s VAL 160 CO 0.87 0.34 -0.22 -0.89 0.00 0.00 0.00 175.10 175.20 1jrg s THR 161 N -1.00 2.09 -0.14 3.92 2.01 -0.74 -0.10 115.64 121.68 1jrg s THR 161 Ca 0.17 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1jrg s THR 161 Cb -0.11 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1jrg s THR 161 CO 0.08 0.55 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.71 1jrg s ILE 162 N 0.64 2.01 0.02 1.82 1.01 0.53 0.10 121.20 127.33 1jrg s ILE 162 Ca -0.11 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 1jrg s ILE 162 Cb -0.16 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.56 1jrg s ILE 162 CO 0.02 0.54 0.38 -0.55 0.00 0.00 0.00 174.94 175.33 1jrg s SER 163 N 0.83 -0.26 0.49 3.58 0.15 -1.09 -1.07 113.70 116.33 1jrg s SER 163 Ca -0.07 0.06 0.24 0.00 0.70 0.00 0.00 55.95 56.88 1jrg s SER 163 Cb -0.15 0.38 1.28 0.00 -1.71 0.00 0.00 66.02 65.82 1jrg s SER 163 CO -0.02 -0.58 2.01 0.44 1.20 0.00 0.00 173.24 176.30 1jrg h ASP 164 N 3.33 0.00 0.00 5.45 3.45 -1.50 -1.77 116.42 125.38 1jrg h ASP 164 Ca -0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.16 1jrg h ASP 164 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1jrg h ASP 164 CO 0.42 0.16 0.00 0.61 -1.57 0.00 0.00 179.24 178.87 1jrg n GLY 165 N -0.62 3.18 0.35 2.75 0.00 -1.26 -2.80 105.19 106.79 1jrg n GLY 165 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jrg n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jrg n ASN 166 N 4.73 -0.56 -4.23 1.61 3.02 -1.26 -4.03 115.26 114.54 1jrg n ASN 166 Ca 0.00 1.62 -0.39 0.00 -0.03 0.00 0.00 54.58 55.78 1jrg n ASN 166 Cb 0.00 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 1jrg n ASN 166 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1jrg s PHE 167 N -5.93 3.38 0.25 3.10 5.36 -1.12 -5.08 117.98 117.94 1jrg s PHE 167 Ca -0.13 -1.75 0.01 0.00 -0.96 0.00 0.00 56.93 54.09 1jrg s PHE 167 Cb 0.20 -2.94 -0.04 0.00 -0.34 0.00 0.00 43.02 39.90 1jrg s PHE 167 CO 0.68 -0.87 0.43 0.95 -1.46 0.00 0.00 175.22 174.95 1jrg s THR 168 N 1.35 5.18 0.50 0.12 -4.23 -1.26 -4.76 115.64 112.55 1jrg s THR 168 Ca 0.03 -0.49 0.29 0.00 -1.18 0.00 0.00 61.69 60.34 1jrg s THR 168 Cb -0.23 -3.79 0.47 0.00 1.34 0.00 0.00 72.50 70.29 1jrg s THR 168 CO 0.00 -0.31 1.85 0.44 -0.54 0.00 0.00 174.62 176.06 1jrg h ASP 169 N 1.49 0.12 0.06 3.99 5.19 -1.93 0.21 116.42 125.55 1jrg h ASP 169 Ca -0.49 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1jrg h ASP 169 Cb 1.21 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1jrg h ASP 169 CO 0.65 0.04 0.00 -0.90 -3.12 0.00 0.00 179.24 175.90 1jrg n ASP 170 N -4.33 0.00 -0.65 6.45 5.75 -1.26 -1.46 116.55 121.05 1jrg n ASP 170 Ca 0.21 -0.16 0.10 0.00 -0.01 0.00 0.00 54.79 54.93 1jrg n ASP 170 Cb 0.97 -0.10 0.05 0.00 -1.03 0.00 0.00 41.12 41.01 1jrg n ASP 170 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1jrg n MET 171 N -1.10 1.68 -1.18 0.11 2.81 0.74 -4.98 117.12 115.20 1jrg n MET 171 Ca 0.07 -1.37 -0.33 0.00 -1.81 0.00 0.00 57.70 54.26 1jrg n MET 171 Cb 0.05 -1.39 0.12 0.00 -0.71 0.00 0.00 33.22 31.29 1jrg n MET 171 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1jrg s TYR 172 N -1.93 1.96 0.45 2.03 2.02 -0.53 -5.03 117.35 116.32 1jrg s TYR 172 Ca 0.20 1.66 0.07 0.00 -0.37 0.00 0.00 57.07 58.63 1jrg s TYR 172 Cb 0.16 -3.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1jrg s TYR 172 CO 0.36 -2.60 0.31 -0.08 -1.57 0.00 0.00 175.55 171.97 1jrg s THR 173 N -2.28 2.28 0.10 -0.71 -1.32 -1.26 -4.89 115.64 107.56 1jrg s THR 173 Ca 0.71 -1.51 -0.06 0.00 -1.21 0.00 0.00 61.69 59.62 1jrg s THR 173 Cb -0.26 -2.79 -0.05 0.00 -1.51 0.00 0.00 72.50 67.89 1jrg s THR 173 CO 0.50 0.00 0.35 -0.89 -2.21 0.00 0.00 174.62 172.37 1jrg s THR 174 N -2.59 5.19 -0.29 5.08 2.01 -1.26 0.79 115.64 124.57 1jrg s THR 174 Ca 0.42 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1jrg s THR 174 Cb -0.00 -3.62 0.18 0.00 0.01 0.00 0.00 72.50 69.07 1jrg s THR 174 CO 0.24 0.16 0.54 -0.75 -0.69 0.00 0.00 174.62 174.12 1jrg s LYS 175 N -2.31 0.51 -0.47 4.92 2.20 0.40 -4.81 119.74 120.17 1jrg s LYS 175 Ca 0.36 0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 56.58 1jrg s LYS 175 Cb -0.13 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1jrg s LYS 175 CO 0.22 -0.85 0.41 -0.25 -0.36 0.00 0.00 175.35 174.52 1jrg n ASP 176 N 5.41 -3.98 0.00 1.43 8.00 -1.26 -3.40 116.55 122.75 1jrg n ASP 176 Ca 0.01 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1jrg n ASP 176 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 1jrg n ASP 176 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jrg n GLY 177 N -1.36 0.00 3.54 0.44 0.00 -1.26 -4.88 105.19 101.67 1jrg n GLY 177 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1jrg n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jrg s GLU 178 N -0.35 1.99 0.34 1.61 0.41 -1.22 -5.10 118.70 116.37 1jrg s GLU 178 Ca 0.00 -1.11 -0.28 0.00 -0.41 0.00 0.00 54.97 53.17 1jrg s GLU 178 Cb 0.00 -2.22 -0.10 0.00 -1.78 0.00 0.00 34.13 30.03 1jrg s GLU 178 CO 0.00 0.49 1.24 0.99 -0.49 0.00 0.00 175.26 177.49 1jrg s THR 179 N -1.23 2.95 -1.33 3.63 2.01 -1.26 -0.45 115.64 119.96 1jrg s THR 179 Ca 0.20 0.92 -0.14 0.00 0.31 0.00 0.00 61.69 62.99 1jrg s THR 179 Cb -0.11 -3.57 0.10 0.00 0.01 0.00 0.00 72.50 68.93 1jrg s THR 179 CO 0.13 0.19 1.87 0.00 -0.69 0.00 0.00 174.62 176.11 1jrg n TYR 180 N 0.70 3.96 -1.85 4.92 -0.00 0.24 -4.49 117.16 120.64 1jrg n TYR 180 Ca 0.01 -2.97 -0.42 0.00 -0.00 0.00 0.00 57.90 54.52 1jrg n TYR 180 Cb 0.43 -2.36 -0.03 0.00 -0.00 0.00 0.00 39.34 37.38 1jrg n TYR 180 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1jrg s VAL 181 N 2.48 3.20 -0.19 2.97 0.11 -1.26 -4.46 120.40 123.25 1jrg s VAL 181 Ca 0.46 0.37 0.02 0.00 -2.93 0.00 0.00 61.98 59.90 1jrg s VAL 181 Cb 0.07 -3.24 0.01 0.00 -1.53 0.00 0.00 36.38 31.70 1jrg s VAL 181 CO -0.01 -0.02 0.55 0.00 -3.33 0.00 0.00 175.10 172.29 1jrg n GLN 182 N 6.90 -0.79 -4.33 1.54 6.02 -1.26 -4.06 117.38 121.40 1jrg n GLN 182 Ca 0.18 -0.59 -0.35 0.00 -0.01 0.00 0.00 57.00 56.23 1jrg n GLN 182 Cb 0.41 -1.03 -0.10 0.00 1.02 0.00 0.00 30.24 30.55 1jrg n GLN 182 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1jrg s HIS 183 N -0.13 3.17 0.00 1.08 3.76 -1.26 -0.79 115.29 121.12 1jrg s HIS 183 Ca 0.02 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1jrg s HIS 183 Cb 0.01 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1jrg s HIS 183 CO 0.02 0.40 0.00 -3.47 -0.85 0.00 0.00 174.74 170.84 1jrg n ASP 184 N 2.40 0.00 -4.95 1.40 2.03 -1.24 -4.49 116.55 111.70 1jrg n ASP 184 Ca -0.18 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.90 1jrg n ASP 184 Cb 0.53 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.96 1jrg n ASP 184 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1jrg s GLY 185 N 0.00 1.68 -0.12 0.27 0.00 -1.26 -4.48 107.32 103.41 1jrg s GLY 185 Ca 0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 43.54 1jrg s GLY 185 CO 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 173.10 172.09 1jrg h ALA 186 N 0.14 0.00 -3.40 3.20 0.00 -1.08 -3.31 119.26 114.82 1jrg h ALA 186 Ca -0.44 -0.45 -0.54 0.00 0.00 0.00 0.00 54.91 53.48 1jrg h ALA 186 Cb 1.27 0.42 -0.33 0.00 0.00 0.00 0.00 17.79 19.15 1jrg h ALA 186 CO 0.56 0.42 -0.83 -1.17 0.00 0.00 0.00 179.25 178.23 1jrg s LEU 187 N -7.76 1.71 -0.04 0.00 2.96 -0.78 -2.00 118.68 112.78 1jrg s LEU 187 Ca -0.12 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 1jrg s LEU 187 Cb 0.02 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 1jrg s LEU 187 CO 0.18 0.05 -0.23 -1.81 -1.32 0.00 0.00 176.35 173.22 1jrg s ASP 188 N 0.63 2.74 -0.26 3.68 1.11 -0.40 -2.62 116.67 121.56 1jrg s ASP 188 Ca -0.15 -0.44 -0.03 0.00 0.18 0.00 0.00 52.55 52.11 1jrg s ASP 188 Cb -0.16 -0.58 0.08 0.00 1.07 0.00 0.00 42.92 43.33 1jrg s ASP 188 CO 0.04 0.24 0.08 -0.63 1.18 0.00 0.00 175.17 176.09 1jrg s ILE 189 N -0.27 0.46 0.00 0.77 1.01 -0.81 -0.06 121.20 122.30 1jrg s ILE 189 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1jrg s ILE 189 Cb -0.11 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1jrg s ILE 189 CO 0.02 -0.51 0.00 2.29 0.00 0.00 0.00 174.94 176.74 1jrg n LYS 190 N 5.04 1.49 -2.54 2.79 2.85 -0.49 -1.11 118.16 126.20 1jrg n LYS 190 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1jrg n LYS 190 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1jrg n LYS 190 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jrg n ARG 191 N 0.00 -0.38 -2.92 -1.58 5.12 -1.26 -0.37 116.66 115.27 1jrg n ARG 191 Ca 0.00 -0.19 -0.21 0.00 -1.93 0.00 0.00 57.85 55.52 1jrg n ARG 191 Cb 0.00 0.33 0.02 0.00 -1.16 0.00 0.00 32.46 31.65 1jrg n ARG 191 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jrg n GLY 192 N -0.57 -0.51 3.79 -0.13 0.00 -1.26 -0.18 105.19 106.33 1jrg n GLY 192 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1jrg n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 193 N -2.53 3.68 0.08 1.61 0.01 0.50 -4.07 113.70 112.99 1jrg s SER 193 Ca 0.24 1.01 -0.26 0.00 1.31 0.00 0.00 55.95 58.24 1jrg s SER 193 Cb -0.11 -1.61 0.08 0.00 0.21 0.00 0.00 66.02 64.59 1jrg s SER 193 CO 0.30 -2.45 0.86 -0.62 0.41 0.00 0.00 173.24 171.74 1jrg s ASP 194 N -4.02 -0.33 -0.80 2.44 3.68 -0.74 -0.58 116.67 116.30 1jrg s ASP 194 Ca 0.63 -0.16 -0.02 0.00 2.13 0.00 0.00 52.55 55.14 1jrg s ASP 194 Cb -0.15 0.47 -0.01 0.00 -1.45 0.00 0.00 42.92 41.78 1jrg s ASP 194 CO 0.53 -0.80 0.72 -1.22 0.13 0.00 0.00 175.17 174.53 1jrg n TYR 195 N -0.34 -2.76 -4.89 -5.34 4.01 -1.17 -1.37 117.16 105.29 1jrg n TYR 195 Ca -0.09 1.04 -0.26 0.00 -0.16 0.00 0.00 57.90 58.43 1jrg n TYR 195 Cb 0.62 -3.92 -0.15 0.00 -0.31 0.00 0.00 39.34 35.57 1jrg n TYR 195 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jrg s VAL 196 N -3.06 1.49 -0.04 -0.72 1.01 -0.99 -1.73 120.40 116.37 1jrg s VAL 196 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1jrg s VAL 196 Cb -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1jrg s VAL 196 CO 0.77 0.40 -0.12 -0.89 0.00 0.00 0.00 175.10 175.27 1jrg s THR 197 N -0.47 1.00 -0.18 3.92 2.01 -0.78 -0.65 115.64 120.49 1jrg s THR 197 Ca 0.07 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1jrg s THR 197 Cb -0.07 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.58 1jrg s THR 197 CO -0.01 0.31 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.49 1jrg s ILE 198 N 0.24 1.62 0.07 1.82 1.01 0.13 -1.03 121.20 125.06 1jrg s ILE 198 Ca -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1jrg s ILE 198 Cb -0.11 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1jrg s ILE 198 CO 0.01 0.26 -0.08 -0.94 0.00 0.00 0.00 174.94 174.19 1jrg s SER 199 N 1.42 1.12 -1.63 3.58 1.04 0.73 -1.92 113.70 118.04 1jrg s SER 199 Ca 0.01 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.51 1jrg s SER 199 Cb -0.15 0.04 0.18 0.00 0.10 0.00 0.00 66.02 66.19 1jrg s SER 199 CO -0.09 -0.28 0.61 0.59 0.98 0.00 0.00 173.24 175.05 1jrg n ASN 200 N 0.85 -2.44 -4.83 7.02 3.02 -0.98 -1.53 115.26 116.37 1jrg n ASN 200 Ca -0.18 -0.96 -0.22 0.00 -0.03 0.00 0.00 54.58 53.19 1jrg n ASN 200 Cb 0.57 -2.06 -0.04 0.00 -0.61 0.00 0.00 39.78 37.63 1jrg n ASN 200 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jrg s SER 201 N -3.12 4.92 -0.06 6.41 0.01 -1.26 -1.41 113.70 119.19 1jrg s SER 201 Ca 0.71 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 57.21 1jrg s SER 201 Cb -0.40 -0.64 0.02 0.00 0.21 0.00 0.00 66.02 65.21 1jrg s SER 201 CO 0.87 -0.53 -0.06 -0.22 0.41 0.00 0.00 173.24 173.71 1jrg s LEU 202 N -4.02 1.29 -0.28 2.44 2.96 0.85 -0.96 118.68 120.96 1jrg s LEU 202 Ca 0.44 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1jrg s LEU 202 Cb -0.02 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.12 1jrg s LEU 202 CO 0.26 -0.06 0.02 -0.63 -1.32 0.00 0.00 176.35 174.62 1jrg s ILE 203 N 1.08 3.40 -0.09 6.68 -1.09 -0.27 -0.35 121.20 130.56 1jrg s ILE 203 Ca -0.08 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1jrg s ILE 203 Cb -0.14 -2.79 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1jrg s ILE 203 CO -0.01 0.08 -0.06 -0.62 -1.23 0.00 0.00 174.94 173.10 1jrg s ASP 204 N 1.39 1.85 -0.31 3.58 2.15 -0.23 -0.42 116.67 124.68 1jrg s ASP 204 Ca 0.00 -0.23 -0.11 0.00 0.43 0.00 0.00 52.55 52.64 1jrg s ASP 204 Cb -0.18 -0.71 0.01 0.00 -0.30 0.00 0.00 42.92 41.75 1jrg s ASP 204 CO -0.01 -0.11 0.42 0.00 -0.17 0.00 0.00 175.17 175.31 1jrg n GLN 205 N 4.72 -1.63 -3.50 4.34 6.02 -0.44 -3.41 117.38 123.48 1jrg n GLN 205 Ca -0.14 1.62 -0.11 0.00 -0.01 0.00 0.00 57.00 58.35 1jrg n GLN 205 Cb 0.50 -4.42 -0.03 0.00 1.02 0.00 0.00 30.24 27.31 1jrg n GLN 205 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1jrg s HIS 206 N -2.16 -0.42 0.00 1.08 2.46 -1.04 -2.49 115.29 112.72 1jrg s HIS 206 Ca 0.17 0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.86 1jrg s HIS 206 Cb -0.05 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.86 1jrg s HIS 206 CO 0.54 -0.80 0.00 -3.47 -2.47 0.00 0.00 174.74 168.54 1jrg n ASP 207 N -0.33 0.00 -4.59 9.88 -0.08 -1.26 -1.39 116.55 118.78 1jrg n ASP 207 Ca -0.17 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.69 1jrg n ASP 207 Cb 0.65 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.08 1jrg n ASP 207 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1jrg s LYS 208 N 0.28 3.55 0.00 -0.67 1.02 -1.26 -2.36 119.74 120.30 1jrg s LYS 208 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1jrg s LYS 208 Cb 0.00 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1jrg s LYS 208 CO 0.00 -1.61 0.00 0.25 -0.92 0.00 0.00 175.35 173.07 1jrg n THR 209 N 6.89 0.00 -3.75 2.17 -2.24 -1.03 -3.09 114.28 113.23 1jrg n THR 209 Ca 0.13 0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.80 1jrg n THR 209 Cb 0.49 -1.24 -0.12 0.00 -2.10 0.00 0.00 70.33 67.36 1jrg n THR 209 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1jrg s MET 210 N -0.54 2.47 -0.19 -0.78 -2.45 0.81 -1.18 119.30 117.43 1jrg s MET 210 Ca 0.00 -1.38 -0.06 0.00 -1.25 0.00 0.00 55.69 53.00 1jrg s MET 210 Cb 0.00 -3.50 -0.03 0.00 1.25 0.00 0.00 34.83 32.55 1jrg s MET 210 CO 0.00 -0.80 0.03 -1.17 1.05 0.00 0.00 175.02 174.13 1jrg s LEU 211 N 1.33 3.51 -0.12 4.11 2.96 -1.08 -0.77 118.68 128.62 1jrg s LEU 211 Ca 0.00 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1jrg s LEU 211 Cb -0.21 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1jrg s LEU 211 CO 0.01 0.12 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.43 1jrg s ILE 212 N 0.65 1.24 0.00 6.68 -1.09 0.21 -1.92 121.20 126.96 1jrg s ILE 212 Ca 0.01 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1jrg s ILE 212 Cb -0.14 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 1jrg s ILE 212 CO 0.02 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1jrg n GLY 213 N 4.76 3.98 7.00 6.18 0.00 -0.27 -1.23 105.19 125.61 1jrg n GLY 213 Ca -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1jrg n GLY 213 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jrg n LYS 225 N -0.02 0.00 -3.31 1.61 2.85 -1.26 -4.81 118.16 113.22 1jrg n LYS 225 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1jrg n LYS 225 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1jrg n LYS 225 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jrg n LEU 226 N 0.00 -5.16 -4.54 -5.58 4.77 0.25 -4.30 117.00 102.44 1jrg n LEU 226 Ca 0.00 -0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 55.17 1jrg n LEU 226 Cb 0.00 -2.85 -0.11 0.00 -2.33 0.00 0.00 43.42 38.13 1jrg n LEU 226 CO 0.00 -0.47 -0.25 -1.00 -1.33 0.00 0.00 177.39 174.35 1jrg s HIS 227 N -3.11 3.16 -0.05 -1.77 3.76 -1.26 -1.97 115.29 114.06 1jrg s HIS 227 Ca 0.12 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 1jrg s HIS 227 Cb -0.03 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.47 1jrg s HIS 227 CO 0.79 -0.15 -0.07 0.08 -0.85 0.00 0.00 174.74 174.55 1jrg s VAL 228 N 1.22 0.72 -0.17 -0.90 1.01 -0.71 -2.33 120.40 119.23 1jrg s VAL 228 Ca 0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1jrg s VAL 228 Cb -0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1jrg s VAL 228 CO 0.04 0.26 0.05 -0.89 0.00 0.00 0.00 175.10 174.56 1jrg s THR 229 N 0.76 4.70 -0.13 3.92 2.01 0.18 -0.93 115.64 126.16 1jrg s THR 229 Ca -0.12 -0.07 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1jrg s THR 229 Cb -0.14 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.29 1jrg s THR 229 CO 0.01 0.49 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.56 1jrg s LEU 230 N 0.16 1.42 -0.05 4.42 1.02 0.24 0.20 118.68 126.08 1jrg s LEU 230 Ca 0.04 -0.38 -0.09 0.00 0.02 0.00 0.00 54.13 53.72 1jrg s LEU 230 Cb -0.12 -0.99 0.02 0.00 0.02 0.00 0.00 46.19 45.11 1jrg s LEU 230 CO 0.01 -0.09 0.21 0.72 0.02 0.00 0.00 176.35 177.22 1jrg s PHE 231 N 1.58 -0.16 -1.56 0.29 -0.12 -0.81 -1.61 117.98 115.59 1jrg s PHE 231 Ca 0.04 0.36 -0.03 0.00 -0.05 0.00 0.00 56.93 57.25 1jrg s PHE 231 Cb -0.13 0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1jrg s PHE 231 CO -0.09 -0.20 0.39 0.09 -0.05 0.00 0.00 175.22 175.35 1jrg n ASN 232 N 2.31 -5.70 -4.95 1.98 3.02 0.10 -2.32 115.26 109.69 1jrg n ASN 232 Ca -0.17 -0.19 -0.23 0.00 -0.03 0.00 0.00 54.58 53.97 1jrg n ASN 232 Cb 0.57 -4.67 -0.02 0.00 -0.61 0.00 0.00 39.78 35.06 1jrg n ASN 232 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1jrg s ASN 233 N -2.48 6.31 -0.09 6.41 0.01 -1.26 -2.98 114.94 120.86 1jrg s ASN 233 Ca 0.21 0.26 0.02 0.00 -0.71 0.00 0.00 52.86 52.64 1jrg s ASN 233 Cb -0.10 -1.95 0.01 0.00 0.41 0.00 0.00 41.25 39.63 1jrg s ASN 233 CO 0.26 -0.17 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.84 1jrg s VAL 234 N -2.12 1.45 -0.39 1.60 1.01 -0.13 -0.62 120.40 121.20 1jrg s VAL 234 Ca 0.37 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1jrg s VAL 234 Cb -0.09 -1.31 0.11 0.00 0.00 0.00 0.00 36.38 35.08 1jrg s VAL 234 CO 0.32 0.43 0.14 -0.36 0.00 0.00 0.00 175.10 175.63 1jrg s PHE 235 N 0.79 3.65 -0.13 5.22 0.08 0.13 -1.11 117.98 126.62 1jrg s PHE 235 Ca -0.11 -2.77 -0.03 0.00 0.12 0.00 0.00 56.93 54.14 1jrg s PHE 235 Cb -0.16 -3.05 -0.03 0.00 -0.57 0.00 0.00 43.02 39.21 1jrg s PHE 235 CO 0.02 -0.94 -0.03 1.21 -0.10 0.00 0.00 175.22 175.38 1jrg s ASN 236 N 1.20 4.92 -1.35 1.36 2.47 0.43 -1.63 114.94 122.34 1jrg s ASN 236 Ca 0.10 -0.04 -0.10 0.00 0.42 0.00 0.00 52.86 53.25 1jrg s ASN 236 Cb -0.21 -1.62 0.01 0.00 -1.45 0.00 0.00 41.25 37.97 1jrg s ASN 236 CO -0.06 0.25 0.45 0.54 -3.72 0.00 0.00 177.10 174.56 1jrg n ARG 237 N 3.00 -1.95 -3.96 0.43 1.74 -0.24 -1.33 116.66 114.35 1jrg n ARG 237 Ca -0.18 0.30 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 1jrg n ARG 237 Cb 0.53 -3.95 -0.14 0.00 -1.02 0.00 0.00 32.46 27.87 1jrg n ARG 237 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jrg s VAL 238 N -3.88 3.03 0.09 1.55 -7.23 -1.26 -2.49 120.40 110.20 1jrg s VAL 238 Ca 0.17 -0.69 -0.35 0.00 -1.81 0.00 0.00 61.98 59.30 1jrg s VAL 238 Cb -0.08 -2.40 -0.16 0.00 0.56 0.00 0.00 36.38 34.31 1jrg s VAL 238 CO 0.92 0.40 1.55 0.74 -0.31 0.00 0.00 175.10 178.39 1jrg h THR 239 N 5.84 0.00 -3.32 5.32 2.02 -1.26 -3.44 112.91 118.08 1jrg h THR 239 Ca -0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1jrg h THR 239 Cb 1.15 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.47 1jrg h THR 239 CO 0.61 0.00 0.04 -1.83 0.37 0.00 0.00 175.52 174.70 1jrg s GLU 240 N -5.76 1.50 -0.27 6.66 -1.05 -1.00 -1.03 118.70 117.75 1jrg s GLU 240 Ca -0.17 -0.98 -0.10 0.00 -0.15 0.00 0.00 54.97 53.58 1jrg s GLU 240 Cb 0.05 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.28 1jrg s GLU 240 CO 0.59 -0.65 0.37 0.54 0.95 0.00 0.00 175.26 177.06 1jrg n ARG 241 N -0.38 -1.51 -2.91 -4.83 1.74 -1.24 -2.46 116.66 105.08 1jrg n ARG 241 Ca -0.07 1.53 -0.17 0.00 -0.77 0.00 0.00 57.85 58.37 1jrg n ARG 241 Cb 0.62 -4.11 -0.01 0.00 -1.02 0.00 0.00 32.46 27.94 1jrg n ARG 241 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jrg n ALA 242 N -0.36 3.14 -3.90 7.54 0.00 0.43 -0.14 120.51 127.22 1jrg n ALA 242 Ca 0.07 -3.59 -0.22 0.00 0.00 0.00 0.00 53.44 49.70 1jrg n ALA 242 Cb 0.28 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 1jrg n ALA 242 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jrg n PRO 243 N 0.02 0.91 -4.17 0.00 -0.04 -1.24 -4.59 135.00 125.89 1jrg n PRO 243 Ca 0.22 -2.61 -0.34 0.00 -0.04 0.00 0.00 63.50 60.73 1jrg n PRO 243 Cb 0.67 0.35 -0.15 0.00 -0.04 0.00 0.00 33.50 34.33 1jrg n PRO 243 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1jrg s ARG 244 N -3.65 3.26 0.07 0.54 3.52 0.05 -1.13 118.95 121.60 1jrg s ARG 244 Ca 0.20 -0.70 0.08 0.00 -0.13 0.00 0.00 55.73 55.17 1jrg s ARG 244 Cb -0.02 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1jrg s ARG 244 CO 0.13 -0.12 -0.20 0.54 -0.81 0.00 0.00 175.30 174.84 1jrg s VAL 245 N 1.18 1.64 -0.02 7.11 0.11 -0.09 -0.62 120.40 129.72 1jrg s VAL 245 Ca 0.02 -1.35 -0.02 0.00 -2.93 0.00 0.00 61.98 57.70 1jrg s VAL 245 Cb -0.14 -1.46 0.01 0.00 -1.53 0.00 0.00 36.38 33.25 1jrg s VAL 245 CO -0.04 0.06 0.05 0.00 -3.33 0.00 0.00 175.10 171.84 1jrg s ARG 246 N -1.53 0.05 -1.29 1.54 1.70 -0.36 0.01 118.95 119.06 1jrg s ARG 246 Ca 0.06 0.10 -0.01 0.00 -0.47 0.00 0.00 55.73 55.41 1jrg s ARG 246 Cb -0.09 -0.01 -0.00 0.00 -0.57 0.00 0.00 34.95 34.27 1jrg s ARG 246 CO 0.03 -0.03 0.72 0.66 -1.08 0.00 0.00 175.30 175.59 1jrg n TYR 247 N 3.24 -1.93 -3.55 5.89 4.02 0.25 -4.08 117.16 121.00 1jrg n TYR 247 Ca -0.15 0.83 -0.07 0.00 -0.01 0.00 0.00 57.90 58.50 1jrg n TYR 247 Cb 0.58 -4.37 -0.02 0.00 -0.02 0.00 0.00 39.34 35.52 1jrg n TYR 247 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1jrg s GLY 248 N -4.30 -0.40 -0.10 2.72 0.00 -1.15 -4.51 107.32 99.58 1jrg s GLY 248 Ca 0.03 1.13 0.03 0.00 0.00 0.00 0.00 44.72 45.92 1jrg s GLY 248 CO 0.81 0.37 -0.22 -1.35 0.00 0.00 0.00 173.10 172.71 1jrg s SER 249 N -2.43 2.90 -0.03 1.64 1.04 -0.83 -0.92 113.70 115.08 1jrg s SER 249 Ca 0.07 -0.53 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1jrg s SER 249 Cb -0.01 -1.33 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1jrg s SER 249 CO -0.07 0.12 -0.22 0.27 0.98 0.00 0.00 173.24 174.33 1jrg s ILE 250 N 0.50 1.72 -0.41 -1.02 -5.25 -0.08 -1.75 121.20 114.92 1jrg s ILE 250 Ca -0.16 -0.92 -0.06 0.00 -0.99 0.00 0.00 60.65 58.52 1jrg s ILE 250 Cb -0.17 -1.44 0.09 0.00 2.95 0.00 0.00 42.46 43.89 1jrg s ILE 250 CO 0.06 0.49 0.22 -2.28 -1.79 0.00 0.00 174.94 171.64 1jrg s HIS 251 N -0.40 3.43 -0.34 1.37 5.65 -0.11 -1.52 115.29 123.38 1jrg s HIS 251 Ca 0.05 -1.93 -0.07 0.00 0.25 0.00 0.00 55.06 53.36 1jrg s HIS 251 Cb -0.09 -3.03 0.03 0.00 -1.18 0.00 0.00 32.58 28.31 1jrg s HIS 251 CO 0.00 -0.91 0.12 0.45 -0.65 0.00 0.00 174.74 173.75 1jrg s SER 252 N 2.00 5.37 -0.02 9.88 0.15 -0.13 -0.60 113.70 130.35 1jrg s SER 252 Ca 0.04 -1.05 -0.04 0.00 0.70 0.00 0.00 55.95 55.60 1jrg s SER 252 Cb -0.23 -1.90 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1jrg s SER 252 CO -0.01 -0.32 0.10 0.72 1.20 0.00 0.00 173.24 174.94 1jrg s PHE 253 N 1.45 -0.04 -1.29 3.44 -0.12 -0.63 -0.99 117.98 119.79 1jrg s PHE 253 Ca -0.00 0.10 -0.05 0.00 -0.05 0.00 0.00 56.93 56.93 1jrg s PHE 253 Cb -0.19 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.20 1jrg s PHE 253 CO 0.04 -0.13 1.07 0.09 -0.05 0.00 0.00 175.22 176.24 1jrg n ASN 254 N 2.46 -4.12 -4.66 1.98 5.03 -0.75 -3.44 115.26 111.76 1jrg n ASN 254 Ca -0.16 -0.60 -0.24 0.00 0.87 0.00 0.00 54.58 54.44 1jrg n ASN 254 Cb 0.58 -4.98 -0.07 0.00 -1.02 0.00 0.00 39.78 34.28 1jrg n ASN 254 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1jrg s ASN 255 N -3.84 4.68 -0.13 6.41 0.01 -1.26 -0.72 114.94 120.08 1jrg s ASN 255 Ca 0.30 -0.53 0.01 0.00 -0.71 0.00 0.00 52.86 51.94 1jrg s ASN 255 Cb -0.13 -0.94 -0.00 0.00 0.41 0.00 0.00 41.25 40.59 1jrg s ASN 255 CO 0.74 0.03 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.49 1jrg s VAL 256 N -2.07 2.51 -0.17 1.60 1.01 0.21 -0.15 120.40 123.34 1jrg s VAL 256 Ca 0.30 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1jrg s VAL 256 Cb -0.08 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1jrg s VAL 256 CO 0.19 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.27 1jrg s PHE 257 N 0.59 2.74 -0.07 5.22 0.40 0.17 -0.69 117.98 126.33 1jrg s PHE 257 Ca -0.10 -1.60 0.01 0.00 -0.60 0.00 0.00 56.93 54.64 1jrg s PHE 257 Cb -0.16 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.49 1jrg s PHE 257 CO 0.03 -0.78 -0.09 0.21 0.70 0.00 0.00 175.22 175.29 1jrg s LYS 258 N 1.24 1.43 0.00 0.44 2.20 -0.65 -0.77 119.74 123.64 1jrg s LYS 258 Ca 0.04 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1jrg s LYS 258 Cb -0.13 -1.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.87 1jrg s LYS 258 CO -0.12 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1jrg n GLY 259 N 4.23 1.97 2.93 5.54 0.00 -0.35 -1.08 105.19 118.42 1jrg n GLY 259 Ca -0.20 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1jrg n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jrg s ASP 260 N -0.47 0.04 0.00 1.61 3.68 -1.26 -0.65 116.67 119.62 1jrg s ASP 260 Ca 0.00 0.36 0.19 0.00 2.13 0.00 0.00 52.55 55.22 1jrg s ASP 260 Cb 0.00 0.26 1.00 0.00 -1.45 0.00 0.00 42.92 42.73 1jrg s ASP 260 CO 0.00 -0.17 1.56 0.00 0.13 0.00 0.00 175.17 176.69 1jrg n ALA 261 N 4.47 2.05 -1.57 3.66 0.00 0.34 -1.20 120.51 128.27 1jrg n ALA 261 Ca -0.21 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.19 1jrg n ALA 261 Cb 0.51 -1.31 0.10 0.00 0.00 0.00 0.00 19.45 18.76 1jrg n ALA 261 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jrg n LYS 262 N -1.21 0.86 -1.69 0.00 5.02 -1.26 -4.58 118.16 115.29 1jrg n LYS 262 Ca 0.10 -2.23 -0.43 0.00 -2.02 0.00 0.00 58.31 53.73 1jrg n LYS 262 Cb 0.13 -1.09 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 1jrg n LYS 262 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jrg n ASP 263 N -0.79 2.86 0.21 4.39 -0.08 -0.97 -4.89 116.55 117.28 1jrg n ASP 263 Ca 0.11 1.18 0.08 0.00 -1.51 0.00 0.00 54.79 54.65 1jrg n ASP 263 Cb 0.72 -1.48 0.46 0.00 2.34 0.00 0.00 41.12 43.16 1jrg n ASP 263 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jrg h PRO 264 N 3.31 0.00 0.00 -0.67 0.13 -1.98 -3.31 132.00 129.48 1jrg h PRO 264 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 1jrg h PRO 264 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1jrg h PRO 264 CO 0.68 0.28 -1.34 0.28 -0.23 0.00 0.00 178.00 177.68 1jrg n VAL 265 N -3.59 0.72 -3.75 1.56 0.31 -1.26 -4.90 118.33 107.42 1jrg n VAL 265 Ca -0.01 -0.05 -0.28 0.00 -0.01 0.00 0.00 64.34 63.99 1jrg n VAL 265 Cb 0.42 -1.69 -0.11 0.00 -0.91 0.00 0.00 33.84 31.55 1jrg n VAL 265 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1jrg n TYR 266 N -3.54 3.41 -1.85 3.52 4.02 -1.26 -4.91 117.16 116.54 1jrg n TYR 266 Ca -0.17 -4.27 -0.43 0.00 -0.01 0.00 0.00 57.90 53.03 1jrg n TYR 266 Cb 0.55 -0.62 -0.03 0.00 -0.02 0.00 0.00 39.34 39.23 1jrg n TYR 266 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1jrg s ARG 267 N -1.79 3.72 0.07 -0.72 3.52 -1.25 -4.43 118.95 118.06 1jrg s ARG 267 Ca 0.30 2.04 -0.33 0.00 -0.13 0.00 0.00 55.73 57.60 1jrg s ARG 267 Cb 0.02 -4.16 -0.12 0.00 -1.56 0.00 0.00 34.95 29.12 1jrg s ARG 267 CO -0.12 -1.41 1.74 0.98 -0.81 0.00 0.00 175.30 175.68 1jrg n TYR 268 N 9.04 2.37 -0.08 5.12 9.36 -0.34 -4.68 117.16 137.96 1jrg n TYR 268 Ca 0.22 0.08 -0.16 0.00 3.32 0.00 0.00 57.90 61.36 1jrg n TYR 268 Cb 0.44 -2.63 -0.06 0.00 -0.63 0.00 0.00 39.34 36.46 1jrg n TYR 268 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1jrg n GLN 269 N 5.05 0.34 -3.67 2.98 6.02 -0.20 -4.60 117.38 123.30 1jrg n GLN 269 Ca 0.19 0.14 -0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1jrg n GLN 269 Cb 0.31 -1.10 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 1jrg n GLN 269 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1jrg s TYR 270 N -2.29 -0.08 -0.07 1.08 1.13 -1.23 -4.77 117.35 111.12 1jrg s TYR 270 Ca -0.22 -0.10 -0.09 0.00 -1.41 0.00 0.00 57.07 55.25 1jrg s TYR 270 Cb 0.08 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.49 1jrg s TYR 270 CO 0.29 -0.48 -0.18 0.43 -2.51 0.00 0.00 175.55 173.09 1jrg n SER 271 N -0.47 1.24 -4.68 -0.18 7.64 -0.36 -3.63 113.62 113.18 1jrg n SER 271 Ca -0.08 0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 1jrg n SER 271 Cb 0.62 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 1jrg n SER 271 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jrg s PHE 272 N -2.20 3.40 -0.24 1.43 0.08 0.03 0.16 117.98 120.63 1jrg s PHE 272 Ca -0.15 0.65 -0.07 0.00 0.12 0.00 0.00 56.93 57.48 1jrg s PHE 272 Cb 0.02 -2.51 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 1jrg s PHE 272 CO 0.23 0.03 0.05 0.20 -0.10 0.00 0.00 175.22 175.63 1jrg s GLY 273 N 0.93 1.74 -0.92 4.36 0.00 -0.29 -0.92 107.32 112.23 1jrg s GLY 273 Ca 0.20 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 1jrg s GLY 273 CO 0.08 0.52 0.89 -0.42 0.00 0.00 0.00 173.10 174.17 1jrg s ILE 274 N 1.59 5.68 0.73 0.90 -1.09 -0.54 -0.91 121.20 127.56 1jrg s ILE 274 Ca 0.06 -2.71 -0.02 0.00 -2.23 0.00 0.00 60.65 55.75 1jrg s ILE 274 Cb -0.15 -4.53 0.12 0.00 -1.58 0.00 0.00 42.46 36.32 1jrg s ILE 274 CO 0.02 -1.10 1.01 -0.83 -1.23 0.00 0.00 174.94 172.81 1jrg s GLY 275 N 1.99 1.76 -0.21 6.18 0.00 0.10 -0.19 107.32 116.96 1jrg s GLY 275 Ca 0.23 -1.60 -0.43 0.00 0.00 0.00 0.00 44.72 42.92 1jrg s GLY 275 CO -0.09 -1.05 1.33 2.41 0.00 0.00 0.00 173.10 175.71 1jrg n THR 276 N -2.89 0.02 -1.45 0.90 -1.04 -1.23 0.18 114.28 108.76 1jrg n THR 276 Ca 0.14 -0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.99 1jrg n THR 276 Cb 0.60 -0.31 -0.07 0.00 -1.82 0.00 0.00 70.33 68.73 1jrg n THR 276 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1jrg n SER 277 N 2.76 -4.17 -4.89 8.00 7.64 -1.26 0.86 113.62 122.56 1jrg n SER 277 Ca 0.25 0.39 -0.31 0.00 1.01 0.00 0.00 58.87 60.21 1jrg n SER 277 Cb 0.03 -3.79 -0.05 0.00 -1.01 0.00 0.00 64.21 59.40 1jrg n SER 277 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jrg s GLY 278 N -2.33 2.15 -0.09 0.23 0.00 0.13 -2.91 107.32 104.49 1jrg s GLY 278 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.16 1jrg s GLY 278 CO 0.00 -0.38 0.23 -1.35 0.00 0.00 0.00 173.10 171.61 1jrg s SER 279 N -2.59 -0.25 -0.05 1.64 1.04 -0.10 -3.91 113.70 109.49 1jrg s SER 279 Ca 0.44 0.47 0.02 0.00 0.48 0.00 0.00 55.95 57.36 1jrg s SER 279 Cb -0.11 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.49 1jrg s SER 279 CO 0.25 -0.09 -0.09 -0.69 0.98 0.00 0.00 173.24 173.60 1jrg s VAL 280 N 0.21 0.85 -0.32 5.02 1.01 -0.89 -0.90 120.40 125.37 1jrg s VAL 280 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1jrg s VAL 280 Cb -0.02 -0.80 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1jrg s VAL 280 CO -0.00 0.28 0.04 -0.22 0.00 0.00 0.00 175.10 175.20 1jrg s LEU 281 N 0.59 4.23 -0.21 3.92 2.96 -0.58 -2.13 118.68 127.48 1jrg s LEU 281 Ca -0.10 -1.54 -0.11 0.00 -0.22 0.00 0.00 54.13 52.17 1jrg s LEU 281 Cb -0.13 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1jrg s LEU 281 CO 0.02 -0.33 0.15 -0.55 -1.32 0.00 0.00 176.35 174.33 1jrg s SER 282 N 1.33 6.21 -0.05 3.68 0.15 -0.32 -0.95 113.70 123.74 1jrg s SER 282 Ca -0.01 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 1jrg s SER 282 Cb -0.20 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1jrg s SER 282 CO -0.03 0.14 0.09 -1.61 1.20 0.00 0.00 173.24 173.03 1jrg s GLU 283 N 0.55 -0.03 -1.43 5.44 2.02 -0.16 -0.82 118.70 124.26 1jrg s GLU 283 Ca 0.09 0.39 -0.08 0.00 0.02 0.00 0.00 54.97 55.39 1jrg s GLU 283 Cb -0.12 -0.38 0.05 0.00 0.10 0.00 0.00 34.13 33.78 1jrg s GLU 283 CO 0.00 -0.28 0.87 0.41 0.02 0.00 0.00 175.26 176.27 1jrg n GLY 284 N 5.02 -0.41 3.90 -1.39 0.00 0.90 -1.82 105.19 111.40 1jrg n GLY 284 Ca -0.10 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1jrg n GLY 284 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jrg s ASN 285 N -3.77 6.49 -0.21 1.61 0.01 -1.26 -2.84 114.94 114.97 1jrg s ASN 285 Ca 0.38 0.67 -0.07 0.00 -0.71 0.00 0.00 52.86 53.13 1jrg s ASN 285 Cb -0.19 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 1jrg s ASN 285 CO 0.82 -0.05 0.05 -0.55 -1.51 0.00 0.00 177.10 175.86 1jrg s SER 286 N -2.71 5.21 -0.15 -1.22 0.15 0.79 -1.40 113.70 114.36 1jrg s SER 286 Ca 0.43 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.99 1jrg s SER 286 Cb -0.11 -1.91 0.01 0.00 -1.71 0.00 0.00 66.02 62.30 1jrg s SER 286 CO 0.26 0.06 -0.21 -0.36 1.20 0.00 0.00 173.24 174.19 1jrg s PHE 287 N 1.03 2.66 -0.41 3.44 0.08 0.70 0.44 117.98 125.91 1jrg s PHE 287 Ca 0.03 -1.43 0.02 0.00 0.12 0.00 0.00 56.93 55.68 1jrg s PHE 287 Cb -0.14 -1.82 0.13 0.00 -0.57 0.00 0.00 43.02 40.61 1jrg s PHE 287 CO 0.03 -0.68 0.20 0.99 -0.10 0.00 0.00 175.22 175.66 1jrg s THR 288 N 1.01 1.43 -0.27 0.64 2.01 0.05 -0.41 115.64 120.10 1jrg s THR 288 Ca -0.03 -2.36 -0.02 0.00 0.31 0.00 0.00 61.69 59.59 1jrg s THR 288 Cb -0.15 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.38 1jrg s THR 288 CO -0.06 -0.83 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.38 1jrg s ILE 289 N 0.59 2.97 0.29 1.82 -1.09 -1.26 -1.21 121.20 123.31 1jrg s ILE 289 Ca 0.16 -1.11 -0.29 0.00 -2.23 0.00 0.00 60.65 57.18 1jrg s ILE 289 Cb -0.23 -2.57 -0.10 0.00 -1.58 0.00 0.00 42.46 37.99 1jrg s ILE 289 CO -0.05 0.11 1.24 0.00 -1.23 0.00 0.00 174.94 175.00 1jrg s ALA 290 N 1.31 3.47 -0.95 9.38 0.00 0.17 -3.29 121.76 131.85 1jrg s ALA 290 Ca -0.01 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 1jrg s ALA 290 Cb -0.18 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1jrg s ALA 290 CO -0.03 -0.46 0.27 0.09 0.00 0.00 0.00 175.76 175.63 1jrg n ASN 291 N 1.32 -4.16 -3.85 0.00 3.02 -1.26 -0.50 115.26 109.83 1jrg n ASN 291 Ca 0.01 -0.13 -0.30 0.00 -0.03 0.00 0.00 54.58 54.13 1jrg n ASN 291 Cb 0.43 -3.13 -0.14 0.00 -0.61 0.00 0.00 39.78 36.33 1jrg n ASN 291 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jrg s LEU 292 N -3.99 3.46 0.33 3.41 2.96 -1.21 -4.62 118.68 119.03 1jrg s LEU 292 Ca 0.13 -2.28 -0.27 0.00 -0.22 0.00 0.00 54.13 51.49 1jrg s LEU 292 Cb -0.06 -1.27 -0.13 0.00 0.50 0.00 0.00 46.19 45.23 1jrg s LEU 292 CO 0.16 -0.34 1.03 -0.24 -1.32 0.00 0.00 176.35 175.65 1jrg n SER 293 N 4.04 1.39 0.26 3.68 2.88 -1.26 -4.83 113.62 119.79 1jrg n SER 293 Ca 0.04 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.89 1jrg n SER 293 Cb 0.38 -1.32 0.92 0.00 -0.75 0.00 0.00 64.21 63.44 1jrg n SER 293 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jrg h ALA 294 N 1.91 1.54 0.00 -1.46 0.00 -1.99 0.77 119.26 120.04 1jrg h ALA 294 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jrg h ALA 294 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jrg h ALA 294 CO 0.60 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 1jrg n SER 295 N -3.57 0.00 -0.79 0.00 3.41 -1.26 -2.97 113.62 108.44 1jrg n SER 295 Ca -0.01 -0.26 0.02 0.00 -0.26 0.00 0.00 58.87 58.36 1jrg n SER 295 Cb 0.23 -0.24 0.20 0.00 -0.26 0.00 0.00 64.21 64.14 1jrg n SER 295 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jrg n LYS 296 N -1.24 1.75 -0.14 4.33 5.02 0.27 -4.73 118.16 123.41 1jrg n LYS 296 Ca 0.15 -3.34 0.01 0.00 -2.02 0.00 0.00 58.31 53.11 1jrg n LYS 296 Cb 0.21 -1.69 0.29 0.00 -0.02 0.00 0.00 35.03 33.81 1jrg n LYS 296 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jrg h ALA 297 N 1.07 1.49 0.00 7.82 0.00 -1.52 -2.45 119.26 125.66 1jrg h ALA 297 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jrg h ALA 297 Cb 1.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jrg h ALA 297 CO 0.12 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1jrg h LYS 299 N 0.00 0.00 0.00 0.00 1.63 -1.81 -3.20 116.57 113.19 1jrg h LYS 299 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1jrg h LYS 299 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1jrg h LYS 299 CO 0.00 0.20 -0.06 -0.39 -3.45 0.00 0.00 179.45 175.75 1jrg h VAL 300 N 0.00 0.21 -3.28 2.00 -1.51 -1.71 -3.39 116.25 108.57 1jrg h VAL 300 Ca -0.01 -0.50 -0.67 0.00 -1.23 0.00 0.00 66.70 64.29 1jrg h VAL 300 Cb 1.18 1.40 -0.33 0.00 -2.13 0.00 0.00 31.29 31.41 1jrg h VAL 300 CO 0.03 0.06 -0.80 -0.69 -1.23 0.00 0.00 177.57 174.93 1jrg s VAL 301 N -3.89 2.55 -0.18 7.19 1.01 -1.21 -0.79 120.40 125.08 1jrg s VAL 301 Ca -0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1jrg s VAL 301 Cb 0.11 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1jrg s VAL 301 CO 0.54 0.41 -0.06 -0.75 0.00 0.00 0.00 175.10 175.23 1jrg s LYS 302 N 1.33 3.44 0.05 2.72 2.20 -0.09 -4.97 119.74 124.42 1jrg s LYS 302 Ca 0.03 -0.62 -0.22 0.00 -0.36 0.00 0.00 55.97 54.80 1jrg s LYS 302 Cb -0.14 -2.89 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 1jrg s LYS 302 CO -0.08 0.00 0.67 0.21 -0.36 0.00 0.00 175.35 175.79 1jrg s LYS 303 N 0.95 4.39 0.00 4.03 2.20 -1.26 -1.47 119.74 128.58 1jrg s LYS 303 Ca -0.01 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1jrg s LYS 303 Cb -0.15 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1jrg s LYS 303 CO 0.00 0.40 0.00 1.19 -0.36 0.00 0.00 175.35 176.59 1jrg n PHE 304 N 2.46 0.00 -0.68 4.03 3.72 -0.71 -4.91 117.46 121.37 1jrg n PHE 304 Ca -0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 1jrg n PHE 304 Cb 0.50 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.30 1jrg n PHE 304 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1jrg n ASN 305 N 0.00 3.86 -4.97 4.37 3.02 -1.19 -4.95 115.26 115.40 1jrg n ASN 305 Ca 0.00 -2.61 -0.23 0.00 -0.03 0.00 0.00 54.58 51.71 1jrg n ASN 305 Cb 0.00 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1jrg n ASN 305 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jrg s GLY 306 N -1.41 2.05 0.00 7.41 0.00 0.73 -3.51 107.32 112.60 1jrg s GLY 306 Ca 0.39 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1jrg s GLY 306 CO 0.14 -1.82 0.01 -1.14 0.00 0.00 0.00 173.10 170.29 1jrg n SER 307 N -2.00 0.00 -4.44 1.64 3.41 -1.26 -4.84 113.62 106.13 1jrg n SER 307 Ca 0.07 -1.00 -0.39 0.00 -0.26 0.00 0.00 58.87 57.28 1jrg n SER 307 Cb 0.63 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 1jrg n SER 307 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1jrg s ILE 308 N 0.00 4.74 -0.28 -1.33 -1.09 -1.25 0.14 121.20 122.14 1jrg s ILE 308 Ca 0.00 -0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 57.71 1jrg s ILE 308 Cb 0.00 -3.48 0.09 0.00 -1.58 0.00 0.00 42.46 37.49 1jrg s ILE 308 CO 0.00 -0.03 0.80 0.12 -1.23 0.00 0.00 174.94 174.60 1jrg s PHE 309 N 1.62 -0.77 0.02 3.97 5.36 -0.15 -2.10 117.98 125.93 1jrg s PHE 309 Ca 0.04 1.75 -0.04 0.00 -0.96 0.00 0.00 56.93 57.72 1jrg s PHE 309 Cb -0.18 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 42.87 1jrg s PHE 309 CO 0.07 -0.37 0.07 -1.12 -1.46 0.00 0.00 175.22 172.41 1jrg s SER 310 N 0.72 0.16 -0.03 6.13 0.01 -0.91 -4.24 113.70 115.55 1jrg s SER 310 Ca -0.02 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1jrg s SER 310 Cb -0.05 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.39 1jrg s SER 310 CO -0.07 -0.41 0.06 -0.62 0.41 0.00 0.00 173.24 172.61 1jrg s ASP 311 N -1.74 0.00 -0.11 2.44 -1.08 -1.25 -1.17 116.67 113.75 1jrg s ASP 311 Ca -0.11 0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 1jrg s ASP 311 Cb -0.05 0.02 0.02 0.00 -1.46 0.00 0.00 42.92 41.45 1jrg s ASP 311 CO -0.02 -0.11 -0.11 0.20 0.52 0.00 0.00 175.17 175.65 1jrg s ASN 312 N 0.88 2.26 -1.49 -0.34 0.01 -0.00 -4.85 114.94 111.42 1jrg s ASN 312 Ca -0.07 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1jrg s ASN 312 Cb -0.10 -0.95 0.00 0.00 0.41 0.00 0.00 41.25 40.61 1jrg s ASN 312 CO -0.03 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1jrg n GLY 313 N 4.62 1.46 3.88 0.66 0.00 -1.26 -0.07 105.19 114.48 1jrg n GLY 313 Ca -0.16 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1jrg n GLY 313 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 314 N -2.85 5.91 -0.01 1.61 0.01 -1.26 -3.97 113.70 113.14 1jrg s SER 314 Ca 0.00 1.21 0.04 0.00 1.31 0.00 0.00 55.95 58.51 1jrg s SER 314 Cb 0.00 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 64.02 1jrg s SER 314 CO 0.00 -1.02 -0.12 -0.69 0.41 0.00 0.00 173.24 171.82 1jrg s VAL 315 N -3.18 0.92 -0.07 3.43 1.01 -0.49 -1.76 120.40 120.25 1jrg s VAL 315 Ca 0.55 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1jrg s VAL 315 Cb -0.11 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1jrg s VAL 315 CO 0.52 0.26 -0.23 -0.22 0.00 0.00 0.00 175.10 175.43 1jrg s LEU 316 N -0.26 2.02 -1.57 3.92 2.96 0.10 -0.22 118.68 125.63 1jrg s LEU 316 Ca 0.04 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 1jrg s LEU 316 Cb -0.05 -1.29 0.14 0.00 0.50 0.00 0.00 46.19 45.50 1jrg s LEU 316 CO -0.00 0.18 0.36 0.59 -1.32 0.00 0.00 176.35 176.16 1jrg n ASN 317 N 3.27 -0.82 0.00 3.68 3.02 0.45 -0.67 115.26 124.19 1jrg n ASN 317 Ca -0.19 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1jrg n ASN 317 Cb 0.52 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1jrg n ASN 317 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrg n GLY 318 N -1.45 1.82 3.42 7.41 0.00 -1.26 -5.05 105.19 110.07 1jrg n GLY 318 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1jrg n GLY 318 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 319 N -2.05 3.51 0.33 1.61 0.01 0.15 -5.09 113.70 112.17 1jrg s SER 319 Ca 0.00 -0.67 -0.29 0.00 1.31 0.00 0.00 55.95 56.30 1jrg s SER 319 Cb 0.00 -0.34 -0.11 0.00 0.21 0.00 0.00 66.02 65.77 1jrg s SER 319 CO 0.00 0.19 1.53 0.00 0.41 0.00 0.00 173.24 175.36 1jrg n ALA 320 N 0.93 2.37 -2.47 1.44 0.00 -1.26 -0.73 120.51 120.80 1jrg n ALA 320 Ca -0.17 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 1jrg n ALA 320 Cb 0.53 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.42 1jrg n ALA 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jrg s VAL 321 N -0.55 2.95 -0.29 0.00 0.11 -0.72 -4.79 120.40 117.10 1jrg s VAL 321 Ca 0.59 -0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 58.63 1jrg s VAL 321 Cb -0.49 -2.19 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1jrg s VAL 321 CO 0.56 0.48 0.12 -0.62 -3.33 0.00 0.00 175.10 172.31 1jrg s ASP 322 N -1.04 5.36 -0.24 3.54 -1.08 -1.26 -4.63 116.67 117.32 1jrg s ASP 322 Ca 0.13 -0.49 0.10 0.00 -0.52 0.00 0.00 52.55 51.77 1jrg s ASP 322 Cb -0.11 -1.96 0.44 0.00 -1.46 0.00 0.00 42.92 39.83 1jrg s ASP 322 CO 0.03 -0.15 1.21 0.18 0.52 0.00 0.00 175.17 176.95 1jrg n LEU 323 N 4.94 3.52 -0.50 -1.34 4.77 -1.26 -4.62 117.00 122.51 1jrg n LEU 323 Ca -0.15 -4.20 0.10 0.00 -0.03 0.00 0.00 56.01 51.73 1jrg n LEU 323 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1jrg n LEU 323 CO 0.33 1.66 0.32 -1.54 -1.33 0.00 0.00 177.39 176.83 1jrg n SER 324 N -0.95 2.02 -1.28 -1.43 3.41 -1.26 -4.10 113.62 110.03 1jrg n SER 324 Ca 0.28 -1.51 0.02 0.00 -0.26 0.00 0.00 58.87 57.40 1jrg n SER 324 Cb 0.80 0.43 0.27 0.00 -0.26 0.00 0.00 64.21 65.45 1jrg n SER 324 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrg n GLY 325 N 1.34 4.09 0.69 5.00 0.00 -1.26 -4.46 105.19 110.58 1jrg n GLY 325 Ca 0.09 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 45.15 1jrg n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg n GLY 327 N 1.21 0.75 3.43 0.00 0.00 -1.26 -4.99 105.19 104.32 1jrg n GLY 327 Ca 0.17 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 1jrg n GLY 327 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jrg s PHE 328 N -2.50 2.26 -0.01 1.61 0.40 -1.26 -5.01 117.98 113.47 1jrg s PHE 328 Ca 0.00 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 1jrg s PHE 328 Cb 0.00 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 1jrg s PHE 328 CO 0.00 0.56 0.36 -1.12 0.70 0.00 0.00 175.22 175.72 1jrg s SER 329 N -2.96 6.72 0.38 1.36 0.01 0.38 -4.83 113.70 114.75 1jrg s SER 329 Ca 0.24 0.86 -0.26 0.00 1.31 0.00 0.00 55.95 58.09 1jrg s SER 329 Cb -0.07 -2.21 -0.11 0.00 0.21 0.00 0.00 66.02 63.84 1jrg s SER 329 CO 0.11 0.32 1.20 0.00 0.41 0.00 0.00 173.24 175.28 1jrg n ALA 330 N 1.73 0.92 -2.53 1.44 0.00 -1.26 -0.98 120.51 119.84 1jrg n ALA 330 Ca -0.14 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1jrg n ALA 330 Cb 0.53 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1jrg n ALA 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1jrg s TYR 331 N -1.16 3.01 -0.18 0.00 6.14 -1.26 -4.72 117.35 119.19 1jrg s TYR 331 Ca 0.59 1.15 0.13 0.00 0.64 0.00 0.00 57.07 59.58 1jrg s TYR 331 Cb -0.56 -3.53 -0.18 0.00 0.42 0.00 0.00 41.96 38.11 1jrg s TYR 331 CO 0.60 -1.20 0.36 0.25 0.64 0.00 0.00 175.55 176.19 1jrg n THR 332 N 5.57 0.00 -1.85 4.34 -2.24 -1.26 -4.95 114.28 113.88 1jrg n THR 332 Ca 0.13 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 1jrg n THR 332 Cb 0.46 0.42 0.04 0.00 -2.10 0.00 0.00 70.33 69.15 1jrg n THR 332 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jrg s SER 333 N -3.14 5.11 0.06 3.42 0.01 -1.26 -4.98 113.70 112.92 1jrg s SER 333 Ca -0.02 2.62 -0.24 0.00 1.31 0.00 0.00 55.95 59.61 1jrg s SER 333 Cb 0.09 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 1jrg s SER 333 CO 0.54 -1.66 0.74 -0.75 0.41 0.00 0.00 173.24 172.51 1jrg s LYS 334 N -3.12 4.47 -0.18 12.44 2.20 -1.26 -5.03 119.74 129.27 1jrg s LYS 334 Ca 0.76 1.03 -0.28 0.00 -0.36 0.00 0.00 55.97 57.11 1jrg s LYS 334 Cb -0.37 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1jrg s LYS 334 CO 0.41 0.37 0.98 0.42 -0.36 0.00 0.00 175.35 177.18 1jrg s ILE 335 N -0.35 4.76 0.36 5.43 1.09 -1.26 -4.93 121.20 126.30 1jrg s ILE 335 Ca 0.37 1.94 0.24 0.00 -1.10 0.00 0.00 60.65 62.10 1jrg s ILE 335 Cb -0.21 -4.27 0.25 0.00 -1.06 0.00 0.00 42.46 37.17 1jrg s ILE 335 CO 0.23 -0.07 1.99 1.55 -0.10 0.00 0.00 174.94 178.54 1jrg h PRO 336 N 7.32 0.00 -6.20 2.79 0.13 -2.01 -3.45 132.00 130.58 1jrg h PRO 336 Ca -0.25 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.37 1jrg h PRO 336 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 1jrg h PRO 336 CO 0.91 0.18 -0.53 1.52 -0.23 0.00 0.00 178.00 179.84 1jrg s TYR 337 N -4.13 3.11 0.12 1.56 1.13 -1.26 -5.10 117.35 112.78 1jrg s TYR 337 Ca -0.02 -0.11 -0.24 0.00 -1.41 0.00 0.00 57.07 55.28 1jrg s TYR 337 Cb 0.13 -1.40 -0.07 0.00 -1.10 0.00 0.00 41.96 39.52 1jrg s TYR 337 CO 0.62 0.52 0.74 0.42 -2.51 0.00 0.00 175.55 175.35 1jrg s ILE 338 N -2.12 4.53 -0.01 -3.49 -1.09 -1.26 -5.00 121.20 112.76 1jrg s ILE 338 Ca 0.33 1.61 -0.17 0.00 -2.23 0.00 0.00 60.65 60.19 1jrg s ILE 338 Cb -0.08 -4.10 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1jrg s ILE 338 CO 0.25 0.48 0.37 -0.72 -1.23 0.00 0.00 174.94 174.09 1jrg s TYR 339 N -0.81 -0.25 -0.38 3.97 -0.85 -1.26 -4.63 117.35 113.14 1jrg s TYR 339 Ca 0.36 0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 57.21 1jrg s TYR 339 Cb -0.22 0.15 0.07 0.00 0.38 0.00 0.00 41.96 42.35 1jrg s TYR 339 CO 0.24 -0.44 0.18 0.34 -1.52 0.00 0.00 175.55 174.34 1jrg s ASP 340 N -1.41 5.37 -0.52 -0.18 2.15 -1.26 -5.04 116.67 115.77 1jrg s ASP 340 Ca -0.12 -1.53 -0.22 0.00 0.43 0.00 0.00 52.55 51.11 1jrg s ASP 340 Cb -0.04 -1.88 0.04 0.00 -0.30 0.00 0.00 42.92 40.74 1jrg s ASP 340 CO 0.04 -0.45 0.80 -0.69 -0.17 0.00 0.00 175.17 174.69 1jrg s VAL 341 N 1.32 4.61 0.26 1.11 1.01 -1.26 -5.03 120.40 122.42 1jrg s VAL 341 Ca 0.02 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1jrg s VAL 341 Cb -0.22 -4.42 -0.09 0.00 0.00 0.00 0.00 36.38 31.65 1jrg s VAL 341 CO 0.00 -0.94 0.95 -1.10 0.00 0.00 0.00 175.10 174.01 1jrg s GLN 342 N 3.36 4.79 0.20 2.72 -0.21 -1.26 -4.97 119.66 124.29 1jrg s GLN 342 Ca 0.24 1.49 -0.33 0.00 0.02 0.00 0.00 55.36 56.79 1jrg s GLN 342 Cb -0.15 -3.19 -0.13 0.00 1.00 0.00 0.00 33.01 30.54 1jrg s GLN 342 CO 0.17 0.45 1.54 -0.35 -2.12 0.00 0.00 175.29 174.98 1jrg n PRO 343 N 1.30 2.21 -2.29 2.91 -0.04 -1.26 -4.88 135.00 132.96 1jrg n PRO 343 Ca -0.01 0.79 -0.43 0.00 -0.04 0.00 0.00 63.50 63.81 1jrg n PRO 343 Cb 0.47 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 1jrg n PRO 343 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1jrg s MET 344 N 0.39 3.99 0.31 0.54 1.75 -1.26 -4.89 119.30 120.13 1jrg s MET 344 Ca 0.74 1.58 0.05 0.00 -1.25 0.00 0.00 55.69 56.80 1jrg s MET 344 Cb -0.64 -3.91 -0.06 0.00 2.84 0.00 0.00 34.83 33.06 1jrg s MET 344 CO 0.42 -1.03 0.02 0.95 -0.65 0.00 0.00 175.02 174.73 1jrg s THR 345 N 4.35 1.33 0.24 10.11 -4.23 -1.26 -4.97 115.64 121.21 1jrg s THR 345 Ca 0.62 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1jrg s THR 345 Cb -0.22 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.16 1jrg s THR 345 CO 0.23 -0.11 1.81 0.74 -0.54 0.00 0.00 174.62 176.76 1jrg h THR 346 N 2.17 0.92 -0.58 3.99 2.02 -1.99 -1.47 112.91 117.98 1jrg h THR 346 Ca -0.40 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 1jrg h THR 346 Cb 1.24 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1jrg h THR 346 CO 0.69 0.15 0.08 -0.08 0.37 0.00 0.00 175.52 176.73 1jrg h GLU 347 N 0.81 0.96 -0.31 6.66 4.57 -1.98 -2.32 114.58 122.97 1jrg h GLU 347 Ca 0.40 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1jrg h GLU 347 Cb 0.35 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1jrg h GLU 347 CO -0.24 0.93 -0.01 1.25 -1.18 0.00 0.00 179.01 179.76 1jrg h LEU 348 N 0.86 0.54 -1.18 1.64 5.85 -1.73 -0.15 115.31 121.14 1jrg h LEU 348 Ca 0.17 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1jrg h LEU 348 Cb 0.44 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1jrg h LEU 348 CO 0.01 0.72 0.56 0.00 -0.34 0.00 0.00 178.44 179.40 1jrg h ALA 349 N 0.84 1.45 -0.36 1.25 0.00 -1.23 -0.28 119.26 120.93 1jrg h ALA 349 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1jrg h ALA 349 Cb 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jrg h ALA 349 CO 0.02 0.48 -0.23 0.37 0.00 0.00 0.00 179.25 179.89 1jrg h GLN 350 N 1.09 0.78 0.28 0.00 5.75 -1.21 -2.15 115.11 119.65 1jrg h GLN 350 Ca 0.33 -0.37 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1jrg h GLN 350 Cb -0.02 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.52 1jrg h GLN 350 CO -0.09 0.99 -0.14 1.03 -2.65 0.00 0.00 178.83 177.97 1jrg h SER 351 N 0.57 -0.34 -0.32 -0.69 0.87 -0.26 -0.04 113.55 113.35 1jrg h SER 351 Ca 0.07 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1jrg h SER 351 Cb 0.79 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 1jrg h SER 351 CO 0.06 -0.24 0.17 -0.29 -0.53 0.00 0.00 176.83 176.00 1jrg h ILE 352 N -0.38 1.13 -0.50 2.23 2.10 -1.12 -1.45 117.51 119.51 1jrg h ILE 352 Ca -0.04 -0.37 -0.07 0.00 1.08 0.00 0.00 64.86 65.47 1jrg h ILE 352 Cb 0.30 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 36.69 1jrg h ILE 352 CO 0.05 0.15 0.04 0.74 -1.08 0.00 0.00 178.15 178.06 1jrg h THR 353 N 0.50 1.26 -0.40 2.19 2.02 -0.92 -1.37 112.91 116.18 1jrg h THR 353 Ca 0.13 -1.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.23 1jrg h THR 353 Cb 0.06 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1jrg h THR 353 CO -0.02 0.35 -0.07 0.44 0.37 0.00 0.00 175.52 176.59 1jrg h ASP 354 N 0.72 0.65 0.65 4.18 3.32 -0.24 -3.20 116.42 122.49 1jrg h ASP 354 Ca 0.15 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jrg h ASP 354 Cb 0.45 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1jrg h ASP 354 CO 0.02 0.77 -0.60 -3.20 -1.72 0.00 0.00 179.24 174.51 1jrg n ASN 355 N -4.20 0.58 -4.75 6.45 4.05 -0.62 -4.96 115.26 111.81 1jrg n ASN 355 Ca 0.01 -0.08 -0.40 0.00 0.45 0.00 0.00 54.58 54.56 1jrg n ASN 355 Cb 0.32 0.26 -0.05 0.00 1.23 0.00 0.00 39.78 41.54 1jrg n ASN 355 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jrg s ALA 356 N -3.09 3.37 0.00 5.20 0.00 -0.53 -4.83 121.76 121.89 1jrg s ALA 356 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1jrg s ALA 356 Cb 0.16 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1jrg s ALA 356 CO 0.72 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1jrg n GLY 357 N 1.57 1.29 3.74 0.00 0.00 -0.50 -4.70 105.19 106.60 1jrg n GLY 357 Ca -0.00 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 1jrg n GLY 357 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jrg s SER 358 N 0.00 3.95 0.00 1.61 1.04 -1.05 -3.64 113.70 115.61 1jrg s SER 358 Ca 0.00 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1jrg s SER 358 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1jrg s SER 358 CO 0.00 -2.35 0.00 0.61 0.98 0.00 0.00 173.24 172.48 1jrg n GLY 359 N -1.24 0.52 0.39 7.32 0.00 -1.26 -4.90 105.19 106.02 1jrg n GLY 359 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1jrg n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrg n LYS 360 N -2.41 0.81 0.00 1.61 5.02 -1.24 -4.67 118.16 117.29 1jrg n LYS 360 Ca 0.00 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.16 1jrg n LYS 360 Cb 0.05 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1jrg n LYS 360 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16