#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1obt n PRO 7 N 0.00 1.55 -4.51 -0.72 -0.02 -1.26 -4.82 135.00 125.22 1obt n PRO 7 Ca 0.00 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.82 1obt n PRO 7 Cb 0.00 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 1obt n PRO 7 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1obt s ILE 8 N -1.23 0.93 -0.06 4.25 1.01 -1.26 -0.47 121.20 124.37 1obt s ILE 8 Ca 0.62 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.86 1obt s ILE 8 Cb -0.55 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 1obt s ILE 8 CO 0.57 0.28 -0.23 -0.63 0.00 0.00 0.00 174.94 174.93 1obt s ILE 9 N -0.00 1.90 -0.01 2.92 1.01 -0.37 -4.95 121.20 121.69 1obt s ILE 9 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1obt s ILE 9 Cb -0.08 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1obt s ILE 9 CO 0.00 0.53 0.17 0.20 0.00 0.00 0.00 174.94 175.84 1obt s ASN 10 N -0.06 6.29 -0.22 3.58 0.01 -1.26 -0.30 114.94 122.97 1obt s ASN 10 Ca -0.05 0.33 -0.20 0.00 -0.71 0.00 0.00 52.86 52.23 1obt s ASN 10 Cb -0.14 -1.96 0.06 0.00 0.41 0.00 0.00 41.25 39.62 1obt s ASN 10 CO 0.04 0.27 0.59 0.12 -1.51 0.00 0.00 177.10 176.61 1obt s PHE 11 N -1.30 -0.68 0.00 2.20 5.36 -0.63 -4.93 117.98 117.99 1obt s PHE 11 Ca 0.26 1.62 0.08 0.00 -0.96 0.00 0.00 56.93 57.93 1obt s PHE 11 Cb -0.13 0.26 -0.02 0.00 -0.34 0.00 0.00 43.02 42.79 1obt s PHE 11 CO 0.18 -0.33 -0.24 -0.08 -1.46 0.00 0.00 175.22 173.29 1obt s THR 12 N 0.49 1.89 -0.51 0.12 -1.32 -1.26 -1.78 115.64 113.27 1obt s THR 12 Ca -0.01 -1.11 0.25 0.00 -1.21 0.00 0.00 61.69 59.61 1obt s THR 12 Cb -0.04 -1.59 0.32 0.00 -1.51 0.00 0.00 72.50 69.68 1obt s THR 12 CO -0.02 0.45 1.70 0.71 -2.21 0.00 0.00 174.62 175.25 1obt h THR 13 N 4.46 0.00 -2.83 5.08 1.35 -1.58 -3.39 112.91 116.00 1obt h THR 13 Ca -0.42 -0.75 -0.57 0.00 -0.55 0.00 0.00 66.41 64.11 1obt h THR 13 Cb 1.14 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 1obt h THR 13 CO 0.46 0.00 1.15 0.00 -0.25 0.00 0.00 175.52 176.89 1obt s ALA 14 N -3.21 3.13 -1.08 6.62 0.00 -1.26 -2.22 121.76 123.75 1obt s ALA 14 Ca 0.08 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1obt s ALA 14 Cb 0.08 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1obt s ALA 14 CO 0.62 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1obt n GLY 15 N 4.92 0.39 3.76 0.00 0.00 -1.26 -4.98 105.19 108.02 1obt n GLY 15 Ca 0.19 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1obt n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1obt s ALA 16 N -2.52 3.12 0.40 4.61 0.00 -0.94 -5.03 121.76 121.40 1obt s ALA 16 Ca 0.00 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.37 1obt s ALA 16 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1obt s ALA 16 CO 0.00 -1.16 0.06 0.95 0.00 0.00 0.00 175.76 175.60 1obt s THR 17 N -1.25 1.19 0.35 0.00 -4.23 -1.26 -5.01 115.64 105.43 1obt s THR 17 Ca 0.63 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1obt s THR 17 Cb -0.41 -2.60 0.20 0.00 1.34 0.00 0.00 72.50 71.03 1obt s THR 17 CO 0.52 0.00 1.93 -0.37 -0.54 0.00 0.00 174.62 176.16 1obt h VAL 18 N 1.81 1.17 -0.13 2.29 -1.51 -1.89 -2.64 116.25 115.36 1obt h VAL 18 Ca -0.41 -0.57 -0.21 0.00 -1.23 0.00 0.00 66.70 64.29 1obt h VAL 18 Cb 1.26 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1obt h VAL 18 CO 0.69 0.22 -0.75 -0.61 -1.23 0.00 0.00 177.57 175.89 1obt h GLN 19 N 0.62 0.65 -0.27 5.19 5.75 -1.98 0.11 115.11 125.17 1obt h GLN 19 Ca 0.15 -0.53 -0.13 0.00 -0.15 0.00 0.00 58.65 57.99 1obt h GLN 19 Cb 0.16 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1obt h GLN 19 CO -0.01 1.14 -0.38 0.66 -2.65 0.00 0.00 178.83 177.60 1obt h SER 20 N 0.44 0.65 -0.17 -0.69 4.64 -1.93 0.36 113.55 116.85 1obt h SER 20 Ca -0.04 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1obt h SER 20 Cb 1.36 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1obt h SER 20 CO 0.15 0.96 0.05 0.22 -0.87 0.00 0.00 176.83 177.34 1obt h TYR 21 N 0.51 0.28 -0.73 4.77 3.20 -1.42 -1.36 116.97 122.22 1obt h TYR 21 Ca 0.05 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1obt h TYR 21 Cb 0.88 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 1obt h TYR 21 CO 0.04 0.38 0.47 1.15 -1.64 0.00 0.00 178.16 178.55 1obt h THR 22 N 0.09 1.13 -1.00 1.81 2.02 -0.39 -0.83 112.91 115.74 1obt h THR 22 Ca 0.05 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1obt h THR 22 Cb 0.23 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.70 1obt h THR 22 CO -0.00 0.17 0.65 0.78 0.37 0.00 0.00 175.52 177.49 1obt h ASN 23 N 0.93 1.10 0.12 4.18 2.35 -0.83 0.16 115.58 123.59 1obt h ASN 23 Ca 0.29 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1obt h ASN 23 Cb -0.02 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1obt h ASN 23 CO -0.10 0.76 -0.06 0.15 -1.65 0.00 0.00 177.43 176.54 1obt h PHE 24 N 1.28 -0.15 -0.31 1.19 3.57 -0.02 -1.66 116.94 120.83 1obt h PHE 24 Ca 0.39 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.82 1obt h PHE 24 Cb -0.03 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1obt h PHE 24 CO -0.00 0.11 -0.09 0.82 -2.23 0.00 0.00 178.31 176.91 1obt h ILE 25 N -0.40 1.22 -0.78 1.41 1.08 -0.83 -1.72 117.51 117.50 1obt h ILE 25 Ca -0.02 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 63.44 1obt h ILE 25 Cb 0.32 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 1obt h ILE 25 CO 0.03 0.32 0.33 0.03 -0.69 0.00 0.00 178.15 178.17 1obt h ARG 26 N 0.49 1.16 -0.38 2.37 3.08 -0.87 -2.04 114.38 118.17 1obt h ARG 26 Ca 0.09 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1obt h ARG 26 Cb 0.46 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1obt h ARG 26 CO 0.03 0.92 -0.11 0.00 -1.07 0.00 0.00 179.97 179.74 1obt h ALA 27 N 1.23 1.10 -0.29 0.04 0.00 -0.51 -1.32 119.26 119.50 1obt h ALA 27 Ca 0.26 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1obt h ALA 27 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1obt h ALA 27 CO -0.03 0.56 -0.16 0.28 0.00 0.00 0.00 179.25 179.91 1obt h VAL 28 N 0.61 1.30 -0.69 0.00 2.07 -1.02 -2.32 116.25 116.20 1obt h VAL 28 Ca 0.11 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1obt h VAL 28 Cb 0.54 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1obt h VAL 28 CO 0.03 0.40 0.27 0.03 0.02 0.00 0.00 177.57 178.33 1obt h ARG 29 N 0.37 1.02 -0.05 1.57 3.08 -1.27 -0.85 114.38 118.25 1obt h ARG 29 Ca 0.06 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1obt h ARG 29 Cb 0.69 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1obt h ARG 29 CO 0.05 0.84 -0.14 0.78 -1.07 0.00 0.00 179.97 180.42 1obt h GLY 30 N 1.07 0.08 1.46 0.04 0.00 -1.10 -2.20 103.07 102.42 1obt h GLY 30 Ca 0.23 -0.04 -0.27 0.00 0.00 0.00 0.00 47.33 47.25 1obt h GLY 30 CO -0.02 0.04 -1.37 3.21 0.00 0.00 0.00 176.54 178.40 1obt h ARG 31 N 0.07 0.11 -0.20 4.80 -0.00 -0.78 -3.37 114.38 115.01 1obt h ARG 31 Ca 0.01 -0.19 -0.14 0.00 -0.50 0.00 0.00 59.98 59.16 1obt h ARG 31 Cb 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.32 1obt h ARG 31 CO 0.02 0.94 -0.48 -0.07 0.00 0.00 0.00 179.97 180.38 1obt h LEU 32 N 0.03 0.57 -9.78 3.04 4.07 -0.73 -3.45 115.31 109.06 1obt h LEU 32 Ca -0.17 -0.28 -0.63 0.00 0.08 0.00 0.00 57.88 56.89 1obt h LEU 32 Cb 1.93 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 43.45 1obt h LEU 32 CO 0.13 0.96 -0.41 -0.89 -1.08 0.00 0.00 178.44 177.16 1obt s THR 33 N -4.11 5.33 -0.57 0.22 2.01 -0.87 -4.52 115.64 113.13 1obt s THR 33 Ca -0.07 0.11 0.21 0.00 0.31 0.00 0.00 61.69 62.25 1obt s THR 33 Cb 0.12 -3.56 -0.27 0.00 0.01 0.00 0.00 72.50 68.81 1obt s THR 33 CO 0.83 0.36 0.70 0.35 -0.69 0.00 0.00 174.62 176.17 1obt n THR 34 N 1.11 0.00 0.00 -0.82 -2.24 -1.26 -4.87 114.28 106.20 1obt n THR 34 Ca -0.11 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1obt n THR 34 Cb 0.53 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1obt n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1obt n GLY 35 N 1.41 1.79 0.23 3.38 0.00 -1.26 -4.92 105.19 105.82 1obt n GLY 35 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1obt n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1obt h ALA 36 N 0.00 1.12 -3.22 4.61 0.00 -1.93 -3.42 119.26 116.43 1obt h ALA 36 Ca 0.00 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.20 1obt h ALA 36 Cb 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.36 1obt h ALA 36 CO 0.00 0.27 -0.76 0.34 0.00 0.00 0.00 179.25 179.10 1obt s ASP 37 N -6.23 2.99 -0.06 0.00 2.15 -1.26 -5.10 116.67 109.15 1obt s ASP 37 Ca -0.01 -0.90 0.01 0.00 0.43 0.00 0.00 52.55 52.09 1obt s ASP 37 Cb 0.11 -0.57 0.02 0.00 -0.30 0.00 0.00 42.92 42.18 1obt s ASP 37 CO 0.63 -0.33 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.53 1obt s VAL 38 N 1.88 0.86 -0.11 1.11 1.01 -1.26 -1.09 120.40 122.80 1obt s VAL 38 Ca 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1obt s VAL 38 Cb -0.17 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1obt s VAL 38 CO -0.11 0.30 -0.12 -0.13 0.00 0.00 0.00 175.10 175.04 1obt s ARG 39 N 0.93 1.88 -1.45 2.72 0.52 -0.28 -4.75 118.95 118.53 1obt s ARG 39 Ca -0.10 -0.42 -0.09 0.00 -0.52 0.00 0.00 55.73 54.60 1obt s ARG 39 Cb -0.15 -1.71 0.05 0.00 0.52 0.00 0.00 34.95 33.66 1obt s ARG 39 CO 0.01 -0.14 0.89 0.72 0.02 0.00 0.00 175.30 176.80 1obt n HIS 40 N 4.45 -2.19 -0.79 -0.53 8.25 -1.26 -1.66 115.22 121.48 1obt n HIS 40 Ca -0.17 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 1obt n HIS 40 Cb 0.51 -4.18 0.00 0.00 1.12 0.00 0.00 29.99 27.44 1obt n HIS 40 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1obt n GLU 41 N -4.56 -0.16 -3.96 -0.41 1.02 -1.26 -4.94 120.64 106.37 1obt n GLU 41 Ca -0.08 0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 1obt n GLU 41 Cb 0.58 -3.57 -0.11 0.00 -0.02 0.00 0.00 31.44 28.31 1obt n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1obt s ILE 42 N -2.35 4.41 0.34 -3.67 1.01 -0.66 -5.08 121.20 115.19 1obt s ILE 42 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 1obt s ILE 42 Cb 0.00 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.35 1obt s ILE 42 CO 0.00 0.41 1.41 -2.84 0.00 0.00 0.00 174.94 173.91 1obt s PRO 43 N 0.95 4.24 -0.11 2.79 0.02 -1.26 -1.12 135.00 140.51 1obt s PRO 43 Ca 0.03 2.38 -0.04 0.00 0.02 0.00 0.00 61.00 63.39 1obt s PRO 43 Cb -0.14 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 1obt s PRO 43 CO 0.03 -0.37 0.05 0.08 -0.33 0.00 0.00 177.00 176.45 1obt s VAL 44 N -0.95 4.70 0.60 3.83 1.01 -0.25 -1.71 120.40 127.63 1obt s VAL 44 Ca 0.52 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1obt s VAL 44 Cb -0.43 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1obt s VAL 44 CO 0.56 0.59 1.10 -0.76 0.00 0.00 0.00 175.10 176.58 1obt s LEU 45 N -0.73 3.54 0.39 3.92 1.02 -0.07 -4.68 118.68 122.07 1obt s LEU 45 Ca 0.12 1.99 -0.25 0.00 0.02 0.00 0.00 54.13 56.01 1obt s LEU 45 Cb -0.12 -4.55 -0.11 0.00 0.02 0.00 0.00 46.19 41.43 1obt s LEU 45 CO 0.02 -1.35 1.08 -0.81 0.02 0.00 0.00 176.35 175.31 1obt n PRO 46 N -1.94 1.51 -2.48 1.29 -0.04 -1.26 -4.08 135.00 128.00 1obt n PRO 46 Ca 0.10 0.54 -0.41 0.00 -0.04 0.00 0.00 63.50 63.69 1obt n PRO 46 Cb 0.52 -2.09 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1obt n PRO 46 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1obt s ASN 47 N -0.63 7.22 0.39 3.54 3.04 -1.26 -4.54 114.94 122.69 1obt s ASN 47 Ca 0.61 2.10 0.16 0.00 0.04 0.00 0.00 52.86 55.77 1obt s ASN 47 Cb -0.57 -2.60 0.82 0.00 -1.54 0.00 0.00 41.25 37.35 1obt s ASN 47 CO 0.58 -0.27 1.85 0.08 -3.04 0.00 0.00 177.10 176.30 1obt h ARG 48 N 5.30 0.00 -6.24 0.43 0.11 -1.93 -3.35 114.38 108.70 1obt h ARG 48 Ca -0.44 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.06 1obt h ARG 48 Cb 1.21 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.21 1obt h ARG 48 CO 0.74 0.34 0.73 0.14 0.10 0.00 0.00 179.97 182.01 1obt s VAL 49 N -4.12 4.51 0.00 0.08 -7.23 -1.26 -2.84 120.40 109.55 1obt s VAL 49 Ca -0.02 1.40 0.00 0.00 -1.81 0.00 0.00 61.98 61.55 1obt s VAL 49 Cb 0.14 -4.40 0.00 0.00 0.56 0.00 0.00 36.38 32.68 1obt s VAL 49 CO 0.70 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 1obt n GLY 50 N 4.24 0.57 3.72 2.32 0.00 -1.26 -5.07 105.19 109.71 1obt n GLY 50 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1obt n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1obt s LEU 51 N 0.00 4.40 0.43 0.99 2.96 -1.13 -5.02 118.68 121.31 1obt s LEU 51 Ca 0.00 1.58 -0.24 0.00 -0.22 0.00 0.00 54.13 55.25 1obt s LEU 51 Cb 0.00 -3.45 -0.08 0.00 0.50 0.00 0.00 46.19 43.16 1obt s LEU 51 CO 0.00 -0.16 1.17 -2.84 -1.32 0.00 0.00 176.35 173.20 1obt s PRO 52 N 0.64 3.89 0.47 0.98 0.02 -1.26 -4.93 135.00 134.81 1obt s PRO 52 Ca 0.47 1.82 0.18 0.00 0.02 0.00 0.00 61.00 63.49 1obt s PRO 52 Cb -0.21 -2.53 1.17 0.00 0.02 0.00 0.00 34.50 32.94 1obt s PRO 52 CO 0.26 -0.45 1.99 -0.84 -0.33 0.00 0.00 177.00 177.62 1obt h ILE 53 N 2.09 0.84 0.00 2.83 -0.00 -2.00 -0.62 117.51 120.65 1obt h ILE 53 Ca -0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 1obt h ILE 53 Cb 1.24 0.56 0.00 0.00 -0.00 0.00 0.00 36.82 38.62 1obt h ILE 53 CO 0.61 0.05 0.00 -0.55 -0.00 0.00 0.00 178.15 178.26 1obt h ASN 54 N 0.25 0.00 -0.07 2.16 -1.07 -2.00 -1.50 115.58 113.36 1obt h ASN 54 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.64 1obt h ASN 54 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 1obt h ASN 54 CO -0.05 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.45 1obt n GLN 55 N -2.34 1.91 0.12 4.14 6.02 -0.25 -4.80 117.38 122.18 1obt n GLN 55 Ca 0.01 -2.47 0.01 0.00 -0.01 0.00 0.00 57.00 54.54 1obt n GLN 55 Cb 0.18 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.94 1obt n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1obt h ARG 56 N 0.46 0.00 -4.90 -1.09 9.65 -1.17 -3.46 114.38 113.87 1obt h ARG 56 Ca 0.00 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.57 1obt h ARG 56 Cb 1.01 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 29.41 1obt h ARG 56 CO 0.05 0.50 -0.73 -0.06 2.80 0.00 0.00 179.97 182.52 1obt s PHE 57 N -2.94 1.00 0.21 2.20 0.08 -1.26 -1.47 117.98 115.80 1obt s PHE 57 Ca 0.03 -0.65 0.09 0.00 0.12 0.00 0.00 56.93 56.51 1obt s PHE 57 Cb 0.08 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.93 1obt s PHE 57 CO 0.76 -0.02 -0.17 0.96 -0.10 0.00 0.00 175.22 176.65 1obt s ILE 58 N -2.38 1.91 0.10 0.64 -4.36 -0.91 -4.53 121.20 111.67 1obt s ILE 58 Ca 0.04 -2.16 0.09 0.00 -0.26 0.00 0.00 60.65 58.35 1obt s ILE 58 Cb -0.03 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1obt s ILE 58 CO -0.00 -0.47 -0.19 -0.76 0.24 0.00 0.00 174.94 173.76 1obt s LEU 59 N -3.15 2.65 -0.12 0.37 1.43 0.37 -0.72 118.68 119.52 1obt s LEU 59 Ca 0.22 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1obt s LEU 59 Cb -0.03 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.69 1obt s LEU 59 CO 0.08 0.20 -0.14 -0.69 0.23 0.00 0.00 176.35 176.04 1obt s VAL 60 N -1.08 1.44 -0.34 -1.59 1.01 -0.04 -1.24 120.40 118.56 1obt s VAL 60 Ca 0.17 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1obt s VAL 60 Cb -0.11 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1obt s VAL 60 CO 0.09 0.43 0.18 -0.70 0.00 0.00 0.00 175.10 175.09 1obt s GLU 61 N 1.20 3.13 -0.10 2.72 2.12 0.59 -0.66 118.70 127.71 1obt s GLU 61 Ca -0.02 -0.86 -0.00 0.00 0.36 0.00 0.00 54.97 54.44 1obt s GLU 61 Cb -0.14 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 1obt s GLU 61 CO -0.05 -0.53 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.56 1obt s LEU 62 N 1.59 3.13 0.14 2.70 1.43 -0.57 -1.61 118.68 125.49 1obt s LEU 62 Ca 0.04 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1obt s LEU 62 Cb -0.18 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1obt s LEU 62 CO 0.07 0.29 -0.17 -0.44 0.23 0.00 0.00 176.35 176.33 1obt s SER 63 N -0.40 2.37 0.46 2.29 0.01 -0.74 -2.05 113.70 115.64 1obt s SER 63 Ca 0.06 -0.81 0.03 0.00 1.31 0.00 0.00 55.95 56.53 1obt s SER 63 Cb -0.12 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 1obt s SER 63 CO 0.02 -0.07 0.09 0.54 0.41 0.00 0.00 173.24 174.23 1obt s ASN 64 N -2.45 3.37 0.47 2.44 2.20 -0.92 -1.42 114.94 118.63 1obt s ASN 64 Ca 0.11 -1.70 0.13 0.00 -0.94 0.00 0.00 52.86 50.46 1obt s ASN 64 Cb -0.06 0.58 1.10 0.00 -2.00 0.00 0.00 41.25 40.87 1obt s ASN 64 CO 0.05 -0.94 2.08 -0.74 -2.94 0.00 0.00 177.10 174.61 1obt h HIS 65 N 1.58 0.13 0.00 1.54 -0.00 -1.91 -0.92 115.15 115.56 1obt h HIS 65 Ca -0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1obt h HIS 65 Cb 1.29 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1obt h HIS 65 CO 1.62 0.13 0.00 0.00 -0.00 0.00 0.00 177.93 179.68 1obt n ALA 66 N -2.52 2.17 -2.31 5.26 0.00 -1.26 -4.85 120.51 117.00 1obt n ALA 66 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 1obt n ALA 66 Cb 0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1obt n ALA 66 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1obt n GLU 67 N -0.27 -1.71 -4.21 0.00 4.07 -0.35 -4.99 120.64 113.18 1obt n GLU 67 Ca 0.00 0.99 -0.34 0.00 -0.06 0.00 0.00 57.16 57.76 1obt n GLU 67 Cb 0.06 -5.62 -0.08 0.00 -0.06 0.00 0.00 31.44 25.74 1obt n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1obt s LEU 68 N -5.85 3.73 0.16 4.31 1.43 -1.26 -4.93 118.68 116.27 1obt s LEU 68 Ca 0.00 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 1obt s LEU 68 Cb 0.00 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1obt s LEU 68 CO 0.00 0.31 -0.17 -0.44 0.23 0.00 0.00 176.35 176.28 1obt s SER 69 N -1.43 2.50 -0.01 2.29 0.01 -1.26 -2.18 113.70 113.62 1obt s SER 69 Ca 0.19 -0.87 -0.09 0.00 1.31 0.00 0.00 55.95 56.49 1obt s SER 69 Cb -0.12 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 65.99 1obt s SER 69 CO 0.09 -0.08 0.18 0.54 0.41 0.00 0.00 173.24 174.38 1obt s VAL 70 N -2.19 0.07 -0.16 3.43 0.11 -0.87 -4.62 120.40 116.18 1obt s VAL 70 Ca 0.15 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 1obt s VAL 70 Cb -0.05 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1obt s VAL 70 CO 0.06 -0.30 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.46 1obt s THR 71 N -1.14 1.83 0.10 5.04 2.01 -0.65 -1.51 115.64 121.33 1obt s THR 71 Ca -0.12 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 1obt s THR 71 Cb -0.06 -1.67 -0.06 0.00 0.01 0.00 0.00 72.50 70.71 1obt s THR 71 CO 0.02 0.50 0.45 -0.76 -0.69 0.00 0.00 174.62 174.15 1obt s LEU 72 N 1.26 4.35 -0.25 4.42 1.43 0.17 -1.00 118.68 129.05 1obt s LEU 72 Ca 0.02 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 1obt s LEU 72 Cb -0.13 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1obt s LEU 72 CO -0.09 0.15 0.17 0.00 0.23 0.00 0.00 176.35 176.80 1obt s ALA 73 N -1.42 3.56 -0.12 4.21 0.00 -0.57 -0.87 121.76 126.55 1obt s ALA 73 Ca 0.35 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 1obt s ALA 73 Cb -0.14 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1obt s ALA 73 CO 0.18 -0.33 0.06 -0.51 0.00 0.00 0.00 175.76 175.16 1obt s LEU 74 N 1.33 3.92 -0.07 0.00 1.02 0.10 -0.92 118.68 124.07 1obt s LEU 74 Ca 0.07 0.24 -0.29 0.00 0.02 0.00 0.00 54.13 54.17 1obt s LEU 74 Cb -0.14 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.10 1obt s LEU 74 CO 0.07 0.34 0.96 -0.62 0.02 0.00 0.00 176.35 177.11 1obt s ASP 75 N -0.61 7.25 0.33 2.29 -1.08 -0.09 -2.13 116.67 122.62 1obt s ASP 75 Ca 0.11 1.52 0.26 0.00 -0.52 0.00 0.00 52.55 53.93 1obt s ASP 75 Cb -0.12 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.72 1obt s ASP 75 CO 0.02 -0.35 1.77 1.62 0.52 0.00 0.00 175.17 178.76 1obt h VAL 76 N 4.97 0.00 0.00 1.11 3.04 -1.58 0.35 116.25 124.13 1obt h VAL 76 Ca -0.35 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1obt h VAL 76 Cb 1.18 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1obt h VAL 76 CO 0.81 0.00 -0.05 0.35 -1.01 0.00 0.00 177.57 177.67 1obt n THR 77 N -2.55 0.36 -1.41 3.17 -2.24 -1.26 -4.31 114.28 106.04 1obt n THR 77 Ca 0.03 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1obt n THR 77 Cb 0.35 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1obt n THR 77 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1obt n ASN 78 N -1.97 0.00 -1.76 3.42 0.23 -1.17 -4.53 115.26 109.48 1obt n ASN 78 Ca 0.06 -0.97 -0.21 0.00 -0.53 0.00 0.00 54.58 52.93 1obt n ASN 78 Cb 0.40 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.02 1obt n ASN 78 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1obt n ALA 79 N 0.00 -0.38 -2.50 -2.53 0.00 0.12 -4.99 120.51 110.23 1obt n ALA 79 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 1obt n ALA 79 Cb 0.24 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 1obt n ALA 79 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1obt s TYR 80 N -2.82 3.46 0.08 0.00 2.02 -1.23 -4.46 117.35 114.40 1obt s TYR 80 Ca 0.00 0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 57.12 1obt s TYR 80 Cb 0.00 -2.15 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 1obt s TYR 80 CO 0.00 0.25 1.10 0.08 -1.57 0.00 0.00 175.55 175.41 1obt s VAL 81 N -1.92 4.25 -0.08 0.71 1.01 -1.26 -0.92 120.40 122.19 1obt s VAL 81 Ca 0.45 1.70 0.09 0.00 0.00 0.00 0.00 61.98 64.22 1obt s VAL 81 Cb -0.11 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1obt s VAL 81 CO 0.26 0.18 0.05 0.55 0.00 0.00 0.00 175.10 176.14 1obt n VAL 82 N 3.47 0.57 -3.97 2.92 3.14 -0.10 -4.92 118.33 119.44 1obt n VAL 82 Ca 0.06 -0.38 0.02 0.00 -2.96 0.00 0.00 64.34 61.08 1obt n VAL 82 Cb 0.48 -0.63 0.01 0.00 -1.06 0.00 0.00 33.84 32.64 1obt n VAL 82 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1obt n GLY 83 N 2.36 0.31 3.50 7.55 0.00 -1.25 -1.80 105.19 115.85 1obt n GLY 83 Ca -0.14 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1obt n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1obt s TYR 84 N -2.20 -0.35 -0.03 1.61 1.13 0.08 -1.52 117.35 116.07 1obt s TYR 84 Ca 0.26 0.06 0.06 0.00 -1.41 0.00 0.00 57.07 56.03 1obt s TYR 84 Cb -0.01 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.35 1obt s TYR 84 CO -0.00 -0.91 -0.22 0.50 -2.51 0.00 0.00 175.55 172.41 1obt s ARG 85 N -3.81 1.98 -0.26 -3.49 3.52 -0.17 -0.81 118.95 115.91 1obt s ARG 85 Ca 0.05 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1obt s ARG 85 Cb -0.01 -1.79 0.11 0.00 -1.56 0.00 0.00 34.95 31.69 1obt s ARG 85 CO -0.07 0.39 0.20 0.00 -0.81 0.00 0.00 175.30 175.01 1obt s ALA 86 N -0.28 0.02 0.00 6.12 0.00 -0.03 -1.64 121.76 125.95 1obt s ALA 86 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1obt s ALA 86 Cb -0.11 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1obt s ALA 86 CO 0.01 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1obt n GLY 87 N 5.29 3.59 0.00 0.00 0.00 -1.26 -1.97 105.19 110.84 1obt n GLY 87 Ca -0.05 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1obt n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1obt n ASN 88 N 6.01 0.00 -4.25 1.61 6.94 -1.26 -4.76 115.26 119.55 1obt n ASN 88 Ca 0.00 0.01 -0.24 0.00 -0.02 0.00 0.00 54.58 54.33 1obt n ASN 88 Cb 0.00 -0.29 -0.13 0.00 -2.36 0.00 0.00 39.78 37.00 1obt n ASN 88 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1obt s SER 89 N -2.57 2.39 0.00 0.53 0.01 -0.83 -1.68 113.70 111.55 1obt s SER 89 Ca 0.18 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.91 1obt s SER 89 Cb 0.13 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1obt s SER 89 CO 0.30 0.09 -0.18 0.00 0.41 0.00 0.00 173.24 173.86 1obt s ALA 90 N -0.98 1.50 -0.02 1.44 0.00 -0.44 -0.85 121.76 122.41 1obt s ALA 90 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1obt s ALA 90 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1obt s ALA 90 CO 0.03 0.35 -0.18 0.71 0.00 0.00 0.00 175.76 176.68 1obt s TYR 91 N -0.54 1.63 0.02 0.00 1.51 0.01 -0.41 117.35 119.57 1obt s TYR 91 Ca 0.06 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1obt s TYR 91 Cb -0.07 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.69 1obt s TYR 91 CO 0.00 -0.07 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.19 1obt s PHE 92 N -0.29 1.10 0.79 2.71 0.08 0.15 -0.74 117.98 121.79 1obt s PHE 92 Ca 0.04 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1obt s PHE 92 Cb -0.08 -0.68 0.06 0.00 -0.57 0.00 0.00 43.02 41.76 1obt s PHE 92 CO 0.00 0.01 1.09 -0.06 -0.10 0.00 0.00 175.22 176.15 1obt s PHE 93 N -0.62 2.62 -0.12 0.36 0.08 -0.75 -0.18 117.98 119.37 1obt s PHE 93 Ca 0.02 1.46 -0.32 0.00 0.12 0.00 0.00 56.93 58.21 1obt s PHE 93 Cb -0.06 -3.05 -0.10 0.00 -0.57 0.00 0.00 43.02 39.24 1obt s PHE 93 CO 0.00 -1.83 2.02 1.58 -0.10 0.00 0.00 175.22 176.89 1obt n HIS 94 N -3.53 2.20 -2.02 0.36 -0.00 -0.26 -4.67 115.22 107.29 1obt n HIS 94 Ca 0.08 -0.08 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1obt n HIS 94 Cb 0.54 -2.69 -0.02 0.00 -0.00 0.00 0.00 29.99 27.81 1obt n HIS 94 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1obt s PRO 95 N 4.95 4.27 -0.41 1.57 0.02 -1.26 -4.51 135.00 139.64 1obt s PRO 95 Ca 0.96 2.29 0.05 0.00 0.02 0.00 0.00 61.00 64.32 1obt s PRO 95 Cb -0.58 -3.11 0.58 0.00 0.02 0.00 0.00 34.50 31.41 1obt s PRO 95 CO 0.46 -0.41 1.73 -0.40 -0.33 0.00 0.00 177.00 178.05 1obt n ASP 96 N 2.25 3.76 -3.62 2.53 5.75 -1.26 -4.90 116.55 121.06 1obt n ASP 96 Ca 0.06 -3.71 -0.04 0.00 -0.01 0.00 0.00 54.79 51.10 1obt n ASP 96 Cb 0.40 -0.76 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 1obt n ASP 96 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1obt s ASN 97 N -1.93 -0.09 0.32 -1.12 2.20 -1.26 -5.03 114.94 108.03 1obt s ASN 97 Ca 0.53 0.02 0.02 0.00 -0.94 0.00 0.00 52.86 52.49 1obt s ASN 97 Cb 0.45 0.09 0.55 0.00 -2.00 0.00 0.00 41.25 40.34 1obt s ASN 97 CO 0.05 -0.14 1.90 -0.61 -2.94 0.00 0.00 177.10 175.37 1obt h GLN 98 N 2.03 0.73 -0.68 3.55 5.75 -1.99 -0.58 115.11 123.91 1obt h GLN 98 Ca -0.07 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 1obt h GLN 98 Cb 1.15 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 1obt h GLN 98 CO 0.22 0.62 0.36 0.93 -2.65 0.00 0.00 178.83 178.30 1obt h GLU 99 N 0.71 0.96 0.02 1.69 3.07 -1.99 -1.01 114.58 118.04 1obt h GLU 99 Ca 0.17 -0.12 -0.21 0.00 -0.50 0.00 0.00 59.36 58.70 1obt h GLU 99 Cb 0.18 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1obt h GLU 99 CO -0.01 0.74 -0.95 -0.44 -1.40 0.00 0.00 179.01 176.94 1obt h ASP 100 N 0.94 0.14 -0.27 1.42 3.32 -1.90 -0.68 116.42 119.39 1obt h ASP 100 Ca 0.24 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1obt h ASP 100 Cb 0.06 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1obt h ASP 100 CO -0.04 1.01 0.08 0.00 -1.72 0.00 0.00 179.24 178.57 1obt h ALA 101 N 0.98 0.29 -0.36 3.45 0.00 -0.84 -2.28 119.26 120.50 1obt h ALA 101 Ca -0.04 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1obt h ALA 101 Cb 1.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1obt h ALA 101 CO 0.14 -0.33 -0.31 1.49 0.00 0.00 0.00 179.25 180.24 1obt h GLU 102 N 0.19 0.84 -0.89 0.00 4.22 -1.15 -3.26 114.58 114.53 1obt h GLU 102 Ca 0.12 -0.42 0.02 0.00 0.08 0.00 0.00 59.36 59.16 1obt h GLU 102 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1obt h GLU 102 CO -0.13 1.06 0.58 0.00 -2.18 0.00 0.00 179.01 178.34 1obt h ALA 103 N 0.76 1.15 0.00 2.92 0.00 -0.86 -2.59 119.26 120.64 1obt h ALA 103 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1obt h ALA 103 Cb 0.89 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1obt h ALA 103 CO 0.08 0.48 0.00 0.44 0.00 0.00 0.00 179.25 180.25 1obt n ILE 104 N -4.50 1.18 0.32 0.00 -5.35 -0.88 -1.98 119.36 108.15 1obt n ILE 104 Ca 0.10 0.30 0.13 0.00 -0.27 0.00 0.00 62.75 63.02 1obt n ILE 104 Cb 0.05 -1.11 0.60 0.00 -1.74 0.00 0.00 39.64 37.44 1obt n ILE 104 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1obt h THR 105 N 0.00 0.00 -0.01 7.28 1.35 -1.58 -2.15 112.91 117.81 1obt h THR 105 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1obt h THR 105 Cb 0.21 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1obt h THR 105 CO 0.00 0.00 -0.07 1.41 -0.25 0.00 0.00 175.52 176.61 1obt n HIS 106 N -2.43 0.00 -3.87 4.73 8.25 -0.84 -4.67 115.22 116.40 1obt n HIS 106 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1obt n HIS 106 Cb 0.18 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 1obt n HIS 106 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1obt s LEU 107 N -2.22 4.13 -1.40 2.41 1.43 -0.81 -4.53 118.68 117.69 1obt s LEU 107 Ca 0.35 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.65 1obt s LEU 107 Cb 0.21 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1obt s LEU 107 CO 0.41 0.25 0.81 0.49 0.23 0.00 0.00 176.35 178.54 1obt n PHE 108 N 3.03 -2.08 0.14 0.29 3.72 -1.26 -4.86 117.46 116.45 1obt n PHE 108 Ca -0.17 0.87 0.04 0.00 -0.05 0.00 0.00 57.45 58.13 1obt n PHE 108 Cb 0.53 -4.22 0.44 0.00 -0.94 0.00 0.00 39.48 35.29 1obt n PHE 108 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1obt h THR 109 N -1.97 1.14 0.00 4.37 1.35 -1.83 -2.54 112.91 113.43 1obt h THR 109 Ca -0.60 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1obt h THR 109 Cb 1.37 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1obt h THR 109 CO 0.61 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 175.17 1obt n ASP 110 N -4.33 0.00 -4.88 5.36 5.75 -1.26 -4.83 116.55 112.35 1obt n ASP 110 Ca -0.01 -1.12 -0.31 0.00 -0.01 0.00 0.00 54.79 53.34 1obt n ASP 110 Cb 0.22 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.27 1obt n ASP 110 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1obt s VAL 111 N -2.00 5.00 -0.11 2.12 0.11 -0.96 -5.02 120.40 119.55 1obt s VAL 111 Ca 0.28 0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 59.52 1obt s VAL 111 Cb 0.13 -3.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.25 1obt s VAL 111 CO 0.21 -0.08 0.30 1.56 -3.33 0.00 0.00 175.10 173.76 1obt h GLN 112 N 2.49 -0.03 -5.17 1.54 7.50 -1.86 -3.44 115.11 116.14 1obt h GLN 112 Ca -0.47 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 58.07 1obt h GLN 112 Cb 1.17 0.01 -0.14 0.00 0.05 0.00 0.00 27.48 28.57 1obt h GLN 112 CO 0.70 0.31 -0.46 -0.80 -1.50 0.00 0.00 178.83 177.08 1obt s ASN 113 N -5.74 6.18 -0.06 1.46 0.01 -0.68 -5.04 114.94 111.07 1obt s ASN 113 Ca -0.07 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.32 1obt s ASN 113 Cb -0.01 -2.12 -0.00 0.00 0.41 0.00 0.00 41.25 39.53 1obt s ASN 113 CO 0.24 0.07 -0.21 -0.13 -1.51 0.00 0.00 177.10 175.57 1obt s ARG 114 N 0.95 2.33 0.07 -0.60 0.52 -1.26 -1.33 118.95 119.63 1obt s ARG 114 Ca 0.09 -0.74 0.05 0.00 -0.52 0.00 0.00 55.73 54.61 1obt s ARG 114 Cb -0.13 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 1obt s ARG 114 CO 0.04 0.24 -0.14 0.71 0.02 0.00 0.00 175.30 176.17 1obt s TYR 115 N 0.14 1.22 -0.13 -0.53 1.51 0.45 -4.95 117.35 115.07 1obt s TYR 115 Ca -0.09 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1obt s TYR 115 Cb -0.14 -0.68 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1obt s TYR 115 CO 0.05 0.06 -0.16 0.99 -1.11 0.00 0.00 175.55 175.38 1obt s THR 116 N -1.33 1.61 0.74 -0.71 2.01 -1.26 -0.67 115.64 116.03 1obt s THR 116 Ca -0.01 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 1obt s THR 116 Cb -0.10 -1.47 0.04 0.00 0.01 0.00 0.00 72.50 70.98 1obt s THR 116 CO 0.02 0.46 1.10 -0.36 -0.69 0.00 0.00 174.62 175.15 1obt s PHE 117 N 1.13 2.57 -0.35 4.92 0.08 0.75 -4.89 117.98 122.19 1obt s PHE 117 Ca -0.03 1.56 0.21 0.00 0.12 0.00 0.00 56.93 58.79 1obt s PHE 117 Cb -0.14 -3.09 0.24 0.00 -0.57 0.00 0.00 43.02 39.45 1obt s PHE 117 CO -0.05 -1.79 1.49 0.00 -0.10 0.00 0.00 175.22 174.77 1obt h ALA 118 N -0.82 0.87 -2.72 5.36 0.00 -1.95 -2.95 119.26 117.05 1obt h ALA 118 Ca -0.44 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 1obt h ALA 118 Cb 1.24 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1obt h ALA 118 CO 0.52 0.15 -0.33 -0.59 0.00 0.00 0.00 179.25 179.00 1obt s PHE 119 N -3.17 3.52 1.04 0.00 -0.12 -1.26 -4.61 117.98 113.37 1obt s PHE 119 Ca 0.05 0.58 -0.18 0.00 -0.05 0.00 0.00 56.93 57.34 1obt s PHE 119 Cb 0.06 -2.01 0.24 0.00 -0.63 0.00 0.00 43.02 40.68 1obt s PHE 119 CO 0.70 0.49 1.31 0.20 -0.05 0.00 0.00 175.22 177.88 1obt s GLY 120 N -2.18 1.78 -0.12 1.99 0.00 -1.26 -1.11 107.32 106.43 1obt s GLY 120 Ca 0.37 -1.28 0.18 0.00 0.00 0.00 0.00 44.72 43.99 1obt s GLY 120 CO 0.22 -0.43 1.65 0.61 0.00 0.00 0.00 173.10 175.15 1obt n GLY 121 N -3.37 2.78 3.82 0.20 0.00 -1.26 -4.74 105.19 102.62 1obt n GLY 121 Ca 0.16 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1obt n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1obt s ASN 122 N -0.91 5.83 0.18 1.61 4.22 -1.26 -4.89 114.94 119.72 1obt s ASN 122 Ca 0.52 1.67 -0.14 0.00 -2.14 0.00 0.00 52.86 52.76 1obt s ASN 122 Cb 0.34 -2.51 0.15 0.00 1.28 0.00 0.00 41.25 40.51 1obt s ASN 122 CO 0.24 -1.13 1.71 1.88 -2.04 0.00 0.00 177.10 177.76 1obt h TYR 123 N 0.05 0.07 -0.91 1.54 0.05 -1.98 -2.83 116.97 112.97 1obt h TYR 123 Ca -0.45 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.42 1obt h TYR 123 Cb 1.21 0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.92 1obt h TYR 123 CO 0.61 -0.04 0.57 -0.44 -1.05 0.00 0.00 178.16 177.81 1obt h ASP 124 N 0.18 0.90 0.03 3.88 3.32 -1.99 0.86 116.42 123.59 1obt h ASP 124 Ca 0.23 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1obt h ASP 124 Cb 0.31 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1obt h ASP 124 CO -0.33 0.57 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.66 1obt h ARG 125 N 1.03 -0.04 -0.35 3.56 9.65 -1.88 -1.75 114.38 124.59 1obt h ARG 125 Ca 0.40 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.30 1obt h ARG 125 Cb 0.19 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1obt h ARG 125 CO -0.18 0.28 0.24 -0.07 2.80 0.00 0.00 179.97 183.04 1obt h LEU 126 N -0.36 0.34 -0.09 3.80 4.07 -1.19 0.29 115.31 122.16 1obt h LEU 126 Ca -0.00 -0.01 -0.25 0.00 0.08 0.00 0.00 57.88 57.70 1obt h LEU 126 Cb 0.34 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1obt h LEU 126 CO 0.01 0.24 -0.93 -0.33 -1.08 0.00 0.00 178.44 176.34 1obt h GLU 127 N 0.40 0.70 0.43 1.13 5.08 -0.62 -1.04 114.58 120.66 1obt h GLU 127 Ca 0.14 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1obt h GLU 127 Cb 0.07 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1obt h GLU 127 CO -0.03 1.27 -0.25 1.96 -1.00 0.00 0.00 179.01 180.96 1obt h GLN 128 N 0.43 -0.62 -0.39 2.33 4.20 -0.34 0.83 115.11 121.55 1obt h GLN 128 Ca -0.09 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1obt h GLN 128 Cb 1.57 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.47 1obt h GLN 128 CO 0.18 -0.41 0.08 -0.07 -0.67 0.00 0.00 178.83 177.94 1obt h LEU 129 N -0.64 0.54 -0.44 1.46 3.38 -1.03 -0.98 115.31 117.60 1obt h LEU 129 Ca -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1obt h LEU 129 Cb 0.52 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1obt h LEU 129 CO 0.06 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1obt h ALA 130 N 1.51 1.00 -2.64 1.53 0.00 -0.91 -3.36 119.26 116.40 1obt h ALA 130 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 1obt h ALA 130 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1obt h ALA 130 CO -0.00 0.00 -0.42 0.41 0.00 0.00 0.00 179.25 179.24 1obt n GLY 131 N 0.63 -0.26 3.53 0.00 0.00 0.18 -4.88 105.19 104.39 1obt n GLY 131 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1obt n GLY 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1obt s ASN 132 N -2.45 -0.41 0.30 1.61 3.84 -0.61 -5.04 114.94 112.18 1obt s ASN 132 Ca 0.07 0.23 0.05 0.00 0.21 0.00 0.00 52.86 53.42 1obt s ASN 132 Cb -0.03 0.38 -0.02 0.00 -0.55 0.00 0.00 41.25 41.03 1obt s ASN 132 CO 0.09 -0.54 0.44 -0.76 -2.79 0.00 0.00 177.10 173.55 1obt s LEU 133 N -1.85 4.11 0.30 3.21 1.43 -1.26 -4.45 118.68 120.16 1obt s LEU 133 Ca 0.01 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1obt s LEU 133 Cb -0.01 -2.88 0.64 0.00 0.03 0.00 0.00 46.19 43.97 1obt s LEU 133 CO -0.03 -0.28 1.83 0.03 0.23 0.00 0.00 176.35 178.13 1obt h ARG 134 N 0.97 0.87 -0.06 1.70 3.08 -1.97 -0.38 114.38 118.59 1obt h ARG 134 Ca -0.49 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.53 1obt h ARG 134 Cb 1.24 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1obt h ARG 134 CO 0.57 0.57 0.17 1.05 -1.07 0.00 0.00 179.97 181.27 1obt h GLU 135 N 0.90 0.00 -0.01 0.04 9.09 -1.95 -0.83 114.58 121.81 1obt h GLU 135 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 1obt h GLU 135 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 1obt h GLU 135 CO -0.29 0.00 -0.09 0.09 0.05 0.00 0.00 179.01 178.77 1obt n ASN 136 N -3.26 1.84 -4.84 3.06 5.03 -0.17 -4.63 115.26 112.29 1obt n ASN 136 Ca -0.01 -1.42 -0.37 0.00 0.87 0.00 0.00 54.58 53.65 1obt n ASN 136 Cb 0.25 0.17 -0.06 0.00 -1.02 0.00 0.00 39.78 39.12 1obt n ASN 136 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1obt s ILE 137 N -1.27 5.41 0.25 2.41 1.01 -0.32 -4.90 121.20 123.80 1obt s ILE 137 Ca 0.14 0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 1obt s ILE 137 Cb 0.11 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.01 1obt s ILE 137 CO 0.22 0.57 0.95 -1.61 0.00 0.00 0.00 174.94 175.06 1obt s GLU 138 N -0.70 4.82 0.15 2.79 0.41 -1.26 -4.01 118.70 120.90 1obt s GLU 138 Ca 0.15 1.50 0.10 0.00 -0.41 0.00 0.00 54.97 56.31 1obt s GLU 138 Cb -0.13 -3.23 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 1obt s GLU 138 CO 0.04 0.48 -0.24 -0.51 -0.49 0.00 0.00 175.26 174.54 1obt s LEU 139 N -1.28 2.36 0.00 1.80 1.43 -0.83 -4.80 118.68 117.36 1obt s LEU 139 Ca 0.42 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1obt s LEU 139 Cb -0.26 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1obt s LEU 139 CO 0.32 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1obt n GLY 140 N 0.69 -1.43 0.27 -3.19 0.00 -1.26 -2.38 105.19 97.89 1obt n GLY 140 Ca -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 1obt n GLY 140 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1obt h ASN 141 N 0.00 0.68 -0.02 1.61 -0.00 -1.88 -1.84 115.58 114.12 1obt h ASN 141 Ca 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 56.30 56.11 1obt h ASN 141 Cb 0.00 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.14 1obt h ASN 141 CO 0.00 0.80 -0.01 1.23 -0.00 0.00 0.00 177.43 179.45 1obt h GLY 142 N 0.96 0.05 0.46 1.57 0.00 -1.93 -0.85 103.07 103.33 1obt h GLY 142 Ca 0.12 -0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.52 1obt h GLY 142 CO 0.03 0.04 0.57 -2.55 0.00 0.00 0.00 176.54 174.63 1obt h PRO 143 N -0.34 0.88 -0.38 4.80 0.11 -1.86 -1.66 132.00 133.55 1obt h PRO 143 Ca 0.01 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.93 1obt h PRO 143 Cb 0.42 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1obt h PRO 143 CO 0.00 0.58 -0.30 1.25 -0.21 0.00 0.00 178.00 179.32 1obt h LEU 144 N 0.90 0.87 -0.41 2.35 5.85 -1.20 -0.31 115.31 123.36 1obt h LEU 144 Ca 0.47 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1obt h LEU 144 Cb 0.47 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1obt h LEU 144 CO -0.27 1.10 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.78 1obt h GLU 145 N 0.70 0.03 -0.76 1.25 4.57 -0.73 -1.45 114.58 118.19 1obt h GLU 145 Ca 0.08 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1obt h GLU 145 Cb 0.85 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1obt h GLU 145 CO 0.07 0.02 0.25 0.93 -1.18 0.00 0.00 179.01 179.10 1obt h GLU 146 N 0.03 1.18 -0.50 1.92 5.08 -1.19 -2.96 114.58 118.13 1obt h GLU 146 Ca 0.20 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1obt h GLU 146 Cb 0.30 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1obt h GLU 146 CO -0.40 0.99 0.01 0.00 -1.00 0.00 0.00 179.01 178.62 1obt h ALA 147 N 1.13 1.09 -0.66 3.43 0.00 -0.19 -1.35 119.26 122.72 1obt h ALA 147 Ca 0.25 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1obt h ALA 147 Cb 0.30 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1obt h ALA 147 CO -0.01 0.58 0.42 0.82 0.00 0.00 0.00 179.25 181.06 1obt h ILE 148 N 0.77 1.12 -0.16 0.00 2.04 -1.13 -1.00 117.51 119.15 1obt h ILE 148 Ca 0.15 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1obt h ILE 148 Cb 0.45 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1obt h ILE 148 CO 0.02 0.15 0.02 0.28 0.00 0.00 0.00 178.15 178.62 1obt h SER 149 N 0.84 0.26 0.07 1.72 0.02 -1.43 -1.65 113.55 113.38 1obt h SER 149 Ca 0.25 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1obt h SER 149 Cb -0.03 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1obt h SER 149 CO -0.08 0.47 -0.10 0.00 -1.14 0.00 0.00 176.83 175.98 1obt h ALA 150 N 0.81 -0.16 -0.45 3.77 0.00 -1.03 0.45 119.26 122.64 1obt h ALA 150 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1obt h ALA 150 Cb 0.32 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1obt h ALA 150 CO 0.00 -0.61 0.13 -0.07 0.00 0.00 0.00 179.25 178.71 1obt h LEU 151 N -0.20 0.10 -1.03 0.00 4.07 -1.21 -1.27 115.31 115.77 1obt h LEU 151 Ca 0.01 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.98 1obt h LEU 151 Cb 0.21 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1obt h LEU 151 CO -0.05 0.09 0.06 0.22 -1.08 0.00 0.00 178.44 177.68 1obt h TYR 152 N 0.29 0.80 -0.06 1.13 3.20 -0.92 -2.98 116.97 118.43 1obt h TYR 152 Ca 0.22 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1obt h TYR 152 Cb 0.25 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1obt h TYR 152 CO -0.18 0.71 0.00 0.66 -1.64 0.00 0.00 178.16 177.71 1obt n TYR 153 N -4.26 0.06 -0.07 -3.82 4.01 0.12 -3.62 117.16 109.58 1obt n TYR 153 Ca 0.03 -0.03 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1obt n TYR 153 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.27 1obt n TYR 153 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1obt h TYR 154 N 1.88 0.25 -0.60 -0.72 3.20 -1.17 -0.25 116.97 119.56 1obt h TYR 154 Ca 0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1obt h TYR 154 Cb 0.40 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1obt h TYR 154 CO 0.03 0.14 -0.35 0.43 -1.64 0.00 0.00 178.16 176.76 1obt n SER 155 N -4.97 -0.63 -2.45 -2.11 7.64 -1.24 -2.23 113.62 107.63 1obt n SER 155 Ca -0.01 1.16 -0.32 0.00 1.01 0.00 0.00 58.87 60.71 1obt n SER 155 Cb 0.07 -0.19 0.04 0.00 -1.01 0.00 0.00 64.21 63.12 1obt n SER 155 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1obt n THR 156 N -4.56 3.42 -0.76 0.44 -2.24 -1.11 -4.87 114.28 104.61 1obt n THR 156 Ca 0.01 -3.10 0.00 0.00 -2.27 0.00 0.00 64.05 58.69 1obt n THR 156 Cb 0.16 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1obt n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1obt n GLY 157 N -0.27 0.02 0.20 3.38 0.00 -0.95 -4.75 105.19 102.82 1obt n GLY 157 Ca 0.52 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.62 1obt n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1obt h GLY 158 N 0.00 0.00 -5.57 -0.02 0.00 -1.24 -3.43 103.07 92.81 1obt h GLY 158 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1obt h GLY 158 CO 0.00 0.00 -0.86 -1.59 0.00 0.00 0.00 176.54 174.09 1obt s THR 159 N -3.30 1.87 0.41 4.70 2.01 -1.12 -4.90 115.64 115.32 1obt s THR 159 Ca 0.03 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 1obt s THR 159 Cb 0.08 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 1obt s THR 159 CO 0.68 0.52 0.78 -1.10 -0.69 0.00 0.00 174.62 174.80 1obt s GLN 160 N 0.56 3.77 0.35 4.92 1.11 -1.26 -4.73 119.66 124.38 1obt s GLN 160 Ca -0.14 0.48 0.09 0.00 0.01 0.00 0.00 55.36 55.80 1obt s GLN 160 Cb -0.17 -2.38 0.81 0.00 -1.01 0.00 0.00 33.01 30.27 1obt s GLN 160 CO 0.05 -0.06 1.85 1.25 0.01 0.00 0.00 175.29 178.38 1obt h LEU 161 N 1.19 0.67 -1.10 2.90 5.85 -1.99 -0.58 115.31 122.26 1obt h LEU 161 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1obt h LEU 161 Cb 1.19 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1obt h LEU 161 CO 0.64 0.31 0.56 -0.65 -0.34 0.00 0.00 178.44 178.96 1obt h PRO 162 N 0.70 1.17 -0.01 5.25 0.11 -1.92 -0.92 132.00 136.38 1obt h PRO 162 Ca 0.48 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 66.36 1obt h PRO 162 Cb 0.80 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1obt h PRO 162 CO -0.24 0.79 -0.68 1.15 -0.21 0.00 0.00 178.00 178.81 1obt h THR 163 N 1.19 1.47 0.13 -1.15 2.02 -1.48 -1.68 112.91 113.42 1obt h THR 163 Ca 0.32 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 1obt h THR 163 Cb -0.10 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1obt h THR 163 CO -0.06 0.66 -0.06 0.25 0.37 0.00 0.00 175.52 176.67 1obt h LEU 164 N 0.03 -0.14 -0.61 2.58 7.12 -0.76 -0.58 115.31 122.94 1obt h LEU 164 Ca -0.01 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1obt h LEU 164 Cb 1.20 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.34 1obt h LEU 164 CO 0.09 0.03 0.39 0.00 -0.13 0.00 0.00 178.44 178.82 1obt h ALA 165 N 0.54 0.78 -0.50 1.25 0.00 -1.14 0.33 119.26 120.52 1obt h ALA 165 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1obt h ALA 165 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1obt h ALA 165 CO 0.03 0.23 0.14 -0.09 0.00 0.00 0.00 179.25 179.56 1obt h ARG 166 N 0.83 0.75 -0.05 0.00 2.43 -1.18 -1.02 114.38 116.14 1obt h ARG 166 Ca 0.22 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 1obt h ARG 166 Cb -0.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1obt h ARG 166 CO -0.05 0.67 -0.58 0.77 -1.51 0.00 0.00 179.97 179.27 1obt h SER 167 N 0.73 0.17 -0.36 -3.80 0.02 -0.37 -2.58 113.55 107.36 1obt h SER 167 Ca 0.17 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1obt h SER 167 Cb 0.24 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1obt h SER 167 CO -0.01 0.72 -0.11 -0.26 -1.14 0.00 0.00 176.83 176.04 1obt h PHE 168 N 0.12 0.81 -0.46 3.45 0.04 -0.09 -2.20 116.94 118.61 1obt h PHE 168 Ca -0.00 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.63 1obt h PHE 168 Cb 1.06 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 1obt h PHE 168 CO 0.01 0.87 0.22 0.82 -0.60 0.00 0.00 178.31 179.64 1obt h ILE 169 N 0.51 0.95 0.03 -0.55 2.04 -1.07 -1.25 117.51 118.17 1obt h ILE 169 Ca 0.09 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1obt h ILE 169 Cb 0.62 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1obt h ILE 169 CO 0.04 0.08 -0.02 0.40 0.00 0.00 0.00 178.15 178.65 1obt h ILE 170 N 0.44 1.03 -0.96 -0.67 2.04 -1.42 -1.94 117.51 116.04 1obt h ILE 170 Ca 0.20 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1obt h ILE 170 Cb 0.12 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 1obt h ILE 170 CO -0.15 0.05 0.60 0.00 0.00 0.00 0.00 178.15 178.65 1obt h ILE 172 N 1.01 1.38 0.01 0.00 2.04 -1.03 -0.49 117.51 120.43 1obt h ILE 172 Ca 0.45 -2.37 -0.21 0.00 1.00 0.00 0.00 64.86 63.73 1obt h ILE 172 Cb 0.34 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1obt h ILE 172 CO -0.23 0.71 -0.91 1.56 0.00 0.00 0.00 178.15 179.29 1obt h GLN 173 N 0.26 0.23 0.00 2.37 4.20 -1.08 -1.13 115.11 119.96 1obt h GLN 173 Ca -0.08 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1obt h GLN 173 Cb 1.55 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1obt h GLN 173 CO 0.16 0.99 -0.14 0.52 -0.67 0.00 0.00 178.83 179.69 1obt h MET 174 N 0.12 0.00 0.00 1.46 2.86 -1.02 -3.04 114.93 115.32 1obt h MET 174 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1obt h MET 174 Cb 1.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1obt h MET 174 CO 0.14 0.00 -0.08 -0.89 1.06 0.00 0.00 176.91 177.15 1obt n ILE 175 N -2.43 0.31 -0.25 -1.22 5.41 -0.20 -4.54 119.36 116.43 1obt n ILE 175 Ca 0.05 0.20 -0.06 0.00 1.00 0.00 0.00 62.75 63.93 1obt n ILE 175 Cb 0.46 -1.32 0.05 0.00 -0.71 0.00 0.00 39.64 38.12 1obt n ILE 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1obt h SER 176 N -0.08 0.91 0.75 4.38 0.02 -1.46 -1.52 113.55 116.55 1obt h SER 176 Ca 0.00 -0.13 -0.23 0.00 -0.84 0.00 0.00 61.79 60.60 1obt h SER 176 Cb 0.08 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1obt h SER 176 CO 0.00 0.78 -1.05 -0.33 -1.14 0.00 0.00 176.83 175.09 1obt h GLU 177 N 0.97 0.15 -0.63 3.45 4.39 -1.33 -1.75 114.58 119.83 1obt h GLU 177 Ca 0.24 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1obt h GLU 177 Cb 0.10 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1obt h GLU 177 CO -0.03 1.06 0.05 0.00 -1.16 0.00 0.00 179.01 178.93 1obt h ALA 178 N 0.84 0.84 -0.49 3.43 0.00 -1.47 -1.42 119.26 120.99 1obt h ALA 178 Ca -0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1obt h ALA 178 Cb 1.76 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1obt h ALA 178 CO 0.16 0.65 0.03 0.00 0.00 0.00 0.00 179.25 180.09 1obt h ALA 179 N 1.01 1.13 0.00 0.00 0.00 -1.24 -2.96 119.26 117.20 1obt h ALA 179 Ca 0.19 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1obt h ALA 179 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1obt h ALA 179 CO 0.02 0.56 -0.27 0.45 0.00 0.00 0.00 179.25 180.02 1obt h HIS 180 N 0.75 0.00 -3.27 0.00 -0.00 -0.73 -3.39 115.15 108.51 1obt h HIS 180 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 60.37 60.11 1obt h HIS 180 Cb 0.42 0.00 -0.39 0.00 -0.00 0.00 0.00 27.41 27.44 1obt h HIS 180 CO 0.02 0.27 -0.75 -0.06 -0.00 0.00 0.00 177.93 177.41 1obt s PHE 181 N -4.32 0.35 0.39 2.45 0.08 -0.59 -0.81 117.98 115.52 1obt s PHE 181 Ca -0.03 0.02 0.11 0.00 0.12 0.00 0.00 56.93 57.15 1obt s PHE 181 Cb 0.15 -0.64 0.90 0.00 -0.57 0.00 0.00 43.02 42.85 1obt s PHE 181 CO 0.69 -0.28 1.93 1.96 -0.10 0.00 0.00 175.22 179.42 1obt h GLN 182 N 8.39 0.57 -0.62 0.44 7.50 -1.60 -1.48 115.11 128.30 1obt h GLN 182 Ca -0.15 -0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.00 1obt h GLN 182 Cb 1.12 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 28.48 1obt h GLN 182 CO 0.21 0.37 0.36 -0.92 -1.50 0.00 0.00 178.83 177.35 1obt h TYR 183 N 0.58 0.66 0.00 2.96 5.03 -1.73 -0.24 116.97 124.23 1obt h TYR 183 Ca 0.36 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.49 1obt h TYR 183 Cb 0.60 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 1obt h TYR 183 CO -0.00 0.35 -0.94 0.82 -1.32 0.00 0.00 178.16 177.07 1obt h ILE 184 N 0.69 1.67 -0.72 1.81 2.04 -1.58 -1.93 117.51 119.48 1obt h ILE 184 Ca 0.26 -3.22 -0.05 0.00 1.00 0.00 0.00 64.86 62.86 1obt h ILE 184 Cb 0.10 2.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1obt h ILE 184 CO -0.14 0.92 0.26 -0.08 0.00 0.00 0.00 178.15 179.11 1obt h GLU 185 N 0.00 1.09 -0.72 2.37 4.81 -1.07 -1.23 114.58 119.83 1obt h GLU 185 Ca -0.01 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1obt h GLU 185 Cb 1.66 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 1obt h GLU 185 CO 0.12 0.90 0.29 0.78 -0.73 0.00 0.00 179.01 180.38 1obt h GLY 186 N 1.11 1.15 0.69 1.92 0.00 -0.72 -0.57 103.07 106.65 1obt h GLY 186 Ca 0.24 -0.62 0.06 0.00 0.00 0.00 0.00 47.33 47.01 1obt h GLY 186 CO -0.02 0.58 0.40 0.83 0.00 0.00 0.00 176.54 178.34 1obt h GLU 187 N 1.03 0.72 -0.21 4.80 4.39 -0.96 -1.52 114.58 122.82 1obt h GLU 187 Ca 0.24 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.69 1obt h GLU 187 Cb 0.20 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1obt h GLU 187 CO -0.02 0.47 -0.67 0.52 -1.16 0.00 0.00 179.01 178.15 1obt h MET 188 N 0.74 0.82 -0.88 2.33 2.86 -0.73 -3.03 114.93 117.03 1obt h MET 188 Ca 0.31 -0.59 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1obt h MET 188 Cb 0.19 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1obt h MET 188 CO -0.18 1.21 0.58 0.00 1.06 0.00 0.00 176.91 179.58 1obt h ARG 189 N 0.59 1.04 -0.17 1.72 3.08 -0.78 -1.55 114.38 118.31 1obt h ARG 189 Ca -0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1obt h ARG 189 Cb 1.29 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1obt h ARG 189 CO 0.14 0.69 0.11 1.15 -1.07 0.00 0.00 179.97 180.99 1obt h THR 190 N 1.07 1.06 -0.59 2.04 2.02 -1.26 0.76 112.91 118.01 1obt h THR 190 Ca 0.36 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.46 1obt h THR 190 Cb 0.07 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 1obt h THR 190 CO -0.11 0.06 0.30 0.03 0.37 0.00 0.00 175.52 176.16 1obt h ARG 191 N 0.21 0.54 -0.30 6.66 3.08 -1.30 -1.95 114.38 121.32 1obt h ARG 191 Ca 0.06 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1obt h ARG 191 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1obt h ARG 191 CO -0.01 0.36 -0.14 0.82 -1.07 0.00 0.00 179.97 179.92 1obt h ILE 192 N 0.56 1.29 -0.14 2.04 2.04 -1.04 0.37 117.51 122.62 1obt h ILE 192 Ca 0.27 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.93 1obt h ILE 192 Cb 0.20 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 1obt h ILE 192 CO -0.19 0.40 -0.24 -0.09 0.00 0.00 0.00 178.15 178.03 1obt h ARG 193 N 0.39 -0.28 -0.35 2.37 2.43 -0.12 -0.94 114.38 117.88 1obt h ARG 193 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1obt h ARG 193 Cb 0.67 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1obt h ARG 193 CO 0.04 -0.19 0.00 0.66 -1.51 0.00 0.00 179.97 178.98 1obt n TYR 194 N -5.37 0.47 -4.21 2.20 4.01 -0.85 -4.93 117.16 108.49 1obt n TYR 194 Ca -0.03 -0.23 -0.35 0.00 -0.16 0.00 0.00 57.90 57.13 1obt n TYR 194 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 1obt n TYR 194 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1obt n ASN 195 N 0.67 -2.54 -4.95 7.72 4.05 -0.36 -4.97 115.26 114.89 1obt n ASN 195 Ca 0.15 -1.04 -0.23 0.00 0.45 0.00 0.00 54.58 53.91 1obt n ASN 195 Cb 0.36 -2.68 -0.00 0.00 1.23 0.00 0.00 39.78 38.69 1obt n ASN 195 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1obt s ARG 196 N -6.91 3.29 -0.04 1.20 3.00 0.12 -4.99 118.95 114.62 1obt s ARG 196 Ca 0.59 -0.40 0.01 0.00 0.00 0.00 0.00 55.73 55.93 1obt s ARG 196 Cb -0.33 -2.61 0.02 0.00 0.00 0.00 0.00 34.95 32.04 1obt s ARG 196 CO 0.93 -0.06 -0.02 -0.98 0.00 0.00 0.00 175.30 175.17 1obt s ARG 197 N -4.44 0.52 -0.02 3.54 1.70 -1.26 -4.49 118.95 114.49 1obt s ARG 197 Ca 0.44 0.01 -0.22 0.00 -0.47 0.00 0.00 55.73 55.49 1obt s ARG 197 Cb -0.10 -0.64 0.04 0.00 -0.57 0.00 0.00 34.95 33.69 1obt s ARG 197 CO 0.37 -0.12 0.48 -1.54 -1.08 0.00 0.00 175.30 173.41 1obt s SER 198 N 1.02 -0.40 0.72 -2.89 1.04 -1.00 -4.88 113.70 107.32 1obt s SER 198 Ca -0.10 0.33 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 1obt s SER 198 Cb -0.14 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.44 1obt s SER 198 CO -0.01 -0.55 1.18 0.00 0.98 0.00 0.00 173.24 174.83 1obt s ALA 199 N -1.46 2.17 0.22 5.32 0.00 -1.26 -1.96 121.76 124.80 1obt s ALA 199 Ca -0.11 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1obt s ALA 199 Cb -0.02 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1obt s ALA 199 CO 0.05 -1.78 1.31 -1.25 0.00 0.00 0.00 175.76 174.10 1obt s PRO 200 N -4.02 4.39 0.91 0.00 0.04 -1.26 -4.88 135.00 130.17 1obt s PRO 200 Ca 0.72 2.09 -0.14 0.00 0.04 0.00 0.00 61.00 63.70 1obt s PRO 200 Cb -0.26 -3.17 0.15 0.00 0.04 0.00 0.00 34.50 31.26 1obt s PRO 200 CO 0.45 -0.24 1.22 0.16 0.04 0.00 0.00 177.00 178.64 1obt s ASP 201 N 0.17 3.56 0.34 6.66 1.47 -1.26 -4.63 116.67 122.98 1obt s ASP 201 Ca 0.55 0.61 0.10 0.00 1.18 0.00 0.00 52.55 54.99 1obt s ASP 201 Cb -0.37 -0.94 0.86 0.00 -0.34 0.00 0.00 42.92 42.13 1obt s ASP 201 CO 0.41 -2.48 1.79 -0.65 0.68 0.00 0.00 175.17 174.91 1obt h PRO 202 N -1.46 0.63 -0.40 2.11 0.11 -1.82 -2.45 132.00 128.72 1obt h PRO 202 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1obt h PRO 202 Cb 1.29 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1obt h PRO 202 CO 0.53 0.41 0.05 0.66 -0.21 0.00 0.00 178.00 179.44 1obt h SER 203 N 0.64 0.58 0.41 -2.05 4.64 -1.67 -0.59 113.55 115.51 1obt h SER 203 Ca 0.57 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 1obt h SER 203 Cb 1.05 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1obt h SER 203 CO -0.34 0.61 -0.19 0.58 -0.87 0.00 0.00 176.83 176.62 1obt h VAL 204 N 0.60 0.55 -0.72 0.95 2.07 -1.76 -1.60 116.25 116.34 1obt h VAL 204 Ca 0.13 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1obt h VAL 204 Cb 0.30 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1obt h VAL 204 CO 0.00 0.08 0.44 0.40 0.02 0.00 0.00 177.57 178.51 1obt h ILE 205 N -0.82 1.20 -0.55 4.57 2.04 -1.43 -1.13 117.51 121.39 1obt h ILE 205 Ca -0.06 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.28 1obt h ILE 205 Cb 0.54 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1obt h ILE 205 CO 0.09 0.21 0.00 0.74 0.00 0.00 0.00 178.15 179.19 1obt h THR 206 N 0.98 1.26 -0.16 -0.27 2.02 -1.10 -0.83 112.91 114.81 1obt h THR 206 Ca 0.26 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 1obt h THR 206 Cb -0.04 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1obt h THR 206 CO -0.05 0.39 0.10 -0.07 0.37 0.00 0.00 175.52 176.26 1obt h LEU 207 N 0.86 0.20 -0.54 2.58 3.38 -0.81 -1.92 115.31 119.06 1obt h LEU 207 Ca 0.16 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1obt h LEU 207 Cb 0.51 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1obt h LEU 207 CO 0.03 0.18 0.31 -0.33 0.09 0.00 0.00 178.44 178.71 1obt h GLU 208 N 0.20 0.59 -0.00 1.13 5.08 -0.98 -1.63 114.58 118.97 1obt h GLU 208 Ca 0.06 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1obt h GLU 208 Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1obt h GLU 208 CO -0.01 0.39 -0.28 -0.91 -1.00 0.00 0.00 179.01 177.20 1obt h ASN 209 N 0.60 0.00 -0.42 1.42 2.35 -1.03 -3.15 115.58 115.36 1obt h ASN 209 Ca 0.23 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1obt h ASN 209 Cb 0.07 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1obt h ASN 209 CO -0.12 0.28 0.00 -1.54 -1.65 0.00 0.00 177.43 174.40 1obt n SER 210 N -4.21 4.10 -0.17 5.81 3.41 -0.73 -4.61 113.62 117.23 1obt n SER 210 Ca -0.02 -2.63 -0.03 0.00 -0.26 0.00 0.00 58.87 55.93 1obt n SER 210 Cb 0.33 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1obt n SER 210 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1obt h TRP 211 N 2.69 0.38 -0.51 7.33 7.01 -1.28 0.38 115.95 131.96 1obt h TRP 211 Ca 0.00 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 1obt h TRP 211 Cb 1.34 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 28.29 1obt h TRP 211 CO 0.57 0.14 -0.03 0.78 -2.79 0.00 0.00 178.44 177.12 1obt h GLY 212 N 0.41 0.99 1.64 2.65 0.00 -1.85 -1.51 103.07 105.40 1obt h GLY 212 Ca 0.25 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 1obt h GLY 212 CO -0.23 0.69 -0.59 -0.09 0.00 0.00 0.00 176.54 176.32 1obt h ARG 213 N 0.78 0.38 -0.44 4.80 9.65 -1.77 -2.57 114.38 125.19 1obt h ARG 213 Ca 0.14 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.70 1obt h ARG 213 Cb 0.56 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 1obt h ARG 213 CO 0.03 0.86 0.01 -0.07 2.80 0.00 0.00 179.97 183.60 1obt h LEU 214 N 0.28 0.76 -0.42 3.80 3.38 -0.81 -0.62 115.31 121.68 1obt h LEU 214 Ca -0.00 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.72 1obt h LEU 214 Cb 1.11 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1obt h LEU 214 CO 0.10 0.88 0.12 0.28 0.09 0.00 0.00 178.44 179.90 1obt h SER 215 N 0.62 0.09 -0.09 -0.43 0.02 -1.16 -1.31 113.55 111.30 1obt h SER 215 Ca 0.13 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1obt h SER 215 Cb 0.48 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1obt h SER 215 CO 0.02 0.09 -0.01 0.74 -1.14 0.00 0.00 176.83 176.53 1obt h THR 216 N 0.27 1.27 -0.78 -2.27 2.02 -1.35 -1.82 112.91 110.25 1obt h THR 216 Ca 0.20 -0.87 0.10 0.00 0.77 0.00 0.00 66.41 66.61 1obt h THR 216 Cb 0.21 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 1obt h THR 216 CO -0.23 0.24 0.42 0.00 0.37 0.00 0.00 175.52 176.33 1obt h ALA 217 N 0.71 1.11 -0.07 6.16 0.00 -0.96 0.69 119.26 126.89 1obt h ALA 217 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1obt h ALA 217 Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1obt h ALA 217 CO 0.01 0.02 0.01 0.82 0.00 0.00 0.00 179.25 180.11 1obt h ILE 218 N 0.70 1.23 0.00 0.00 2.04 -1.20 -2.69 117.51 117.59 1obt h ILE 218 Ca 0.39 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1obt h ILE 218 Cb 0.39 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1obt h ILE 218 CO -0.27 0.20 -0.06 1.56 0.00 0.00 0.00 178.15 179.57 1obt h GLN 219 N -0.13 0.00 -0.66 2.37 4.20 -0.92 -2.73 115.11 117.24 1obt h GLN 219 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1obt h GLN 219 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1obt h GLN 219 CO 0.00 0.06 0.00 0.39 -0.67 0.00 0.00 178.83 178.62 1obt n GLU 220 N -3.17 2.85 -2.36 1.46 -0.58 0.20 -4.92 120.64 114.12 1obt n GLU 220 Ca 0.01 -2.45 -0.32 0.00 -0.42 0.00 0.00 57.16 53.98 1obt n GLU 220 Cb 0.37 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1obt n GLU 220 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1obt s SER 221 N -0.95 6.47 -0.94 1.62 1.04 -1.02 -4.87 113.70 115.05 1obt s SER 221 Ca 0.45 1.64 -0.22 0.00 0.48 0.00 0.00 55.95 58.30 1obt s SER 221 Cb 0.25 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.93 1obt s SER 221 CO 0.27 -0.70 1.28 0.20 0.98 0.00 0.00 173.24 175.28 1obt s ASN 222 N -2.92 6.49 -1.58 7.02 0.01 0.10 -4.29 114.94 119.78 1obt s ASN 222 Ca 0.60 -1.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1obt s ASN 222 Cb -0.11 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1obt s ASN 222 CO 0.31 -1.38 0.00 0.00 -1.51 0.00 0.00 177.10 174.52 1obt n GLN 223 N 8.02 -1.77 0.00 -0.60 6.02 -1.26 -0.26 117.38 127.53 1obt n GLN 223 Ca 0.24 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 1obt n GLN 223 Cb 0.50 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.31 1obt n GLN 223 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1obt n GLY 224 N -0.77 2.36 3.70 1.08 0.00 -1.26 -5.03 105.19 105.28 1obt n GLY 224 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1obt n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1obt s ALA 225 N -2.26 3.33 0.23 4.61 0.00 0.64 -1.40 121.76 126.90 1obt s ALA 225 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 1obt s ALA 225 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 1obt s ALA 225 CO 0.00 -0.27 0.85 -0.06 0.00 0.00 0.00 175.76 176.28 1obt s PHE 226 N 1.18 3.86 0.05 0.00 0.08 -0.26 -0.72 117.98 122.17 1obt s PHE 226 Ca 0.42 1.72 -0.19 0.00 0.12 0.00 0.00 56.93 59.00 1obt s PHE 226 Cb -0.18 -2.84 -0.14 0.00 -0.57 0.00 0.00 43.02 39.28 1obt s PHE 226 CO 0.19 0.42 1.32 0.00 -0.10 0.00 0.00 175.22 177.05 1obt h ALA 227 N 3.94 0.25 -4.19 5.36 0.00 -1.89 -3.43 119.26 119.29 1obt h ALA 227 Ca -0.46 -0.39 -0.69 0.00 0.00 0.00 0.00 54.91 53.37 1obt h ALA 227 Cb 1.20 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.65 1obt h ALA 227 CO 0.66 0.23 -0.87 -1.12 0.00 0.00 0.00 179.25 178.16 1obt s SER 228 N -6.35 3.22 0.58 0.00 0.01 -1.26 -5.13 113.70 104.77 1obt s SER 228 Ca -0.14 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 1obt s SER 228 Cb 0.06 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1obt s SER 228 CO 0.78 0.28 1.08 -2.16 0.41 0.00 0.00 173.24 173.64 1obt s PRO 229 N -0.37 3.29 -0.12 12.44 0.04 -1.26 -4.98 135.00 144.03 1obt s PRO 229 Ca 0.03 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 1obt s PRO 229 Cb -0.12 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1obt s PRO 229 CO 0.02 -0.86 -0.09 0.42 0.04 0.00 0.00 177.00 176.53 1obt s ILE 230 N -2.19 3.46 -0.24 0.56 1.01 -0.89 -4.92 121.20 118.00 1obt s ILE 230 Ca 0.67 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 60.63 1obt s ILE 230 Cb -0.19 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1obt s ILE 230 CO 0.33 0.53 0.42 -1.10 0.00 0.00 0.00 174.94 175.12 1obt s GLN 231 N 0.09 4.09 0.13 2.79 -0.21 -1.26 -0.54 119.66 124.76 1obt s GLN 231 Ca -0.03 0.18 0.01 0.00 0.02 0.00 0.00 55.36 55.54 1obt s GLN 231 Cb -0.14 -3.61 0.01 0.00 1.00 0.00 0.00 33.01 30.27 1obt s GLN 231 CO 0.04 -0.20 0.09 1.28 -2.12 0.00 0.00 175.29 174.38 1obt n LEU 232 N 5.04 0.00 -4.13 2.90 4.77 0.14 -4.89 117.00 120.83 1obt n LEU 232 Ca -0.07 -0.71 -0.18 0.00 -0.03 0.00 0.00 56.01 55.02 1obt n LEU 232 Cb 0.51 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1obt n LEU 232 CO 0.39 -0.32 -0.45 -1.10 -1.33 0.00 0.00 177.39 174.58 1obt s GLN 233 N -2.54 0.81 0.84 3.23 -0.21 -1.26 -0.83 119.66 119.69 1obt s GLN 233 Ca 0.07 -0.80 -0.09 0.00 0.02 0.00 0.00 55.36 54.56 1obt s GLN 233 Cb -0.01 -0.78 0.15 0.00 1.00 0.00 0.00 33.01 33.38 1obt s GLN 233 CO 0.04 0.18 1.16 1.03 -2.12 0.00 0.00 175.29 175.59 1obt s ARG 234 N -1.36 1.25 0.34 2.91 0.52 0.68 -3.88 118.95 119.40 1obt s ARG 234 Ca -0.01 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 1obt s ARG 234 Cb -0.09 -2.07 0.62 0.00 0.52 0.00 0.00 34.95 33.94 1obt s ARG 234 CO 0.01 -1.89 1.98 0.00 0.02 0.00 0.00 175.30 175.42 1obt h ARG 235 N -1.08 0.87 -0.24 3.54 3.08 -1.94 -1.19 114.38 117.41 1obt h ARG 235 Ca -0.41 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1obt h ARG 235 Cb 1.26 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1obt h ARG 235 CO 0.42 0.57 0.00 0.27 -1.07 0.00 0.00 179.97 180.16 1obt n ASN 236 N -4.45 1.24 0.00 7.04 6.94 -1.26 -4.18 115.26 120.59 1obt n ASN 236 Ca 0.09 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 1obt n ASN 236 Cb 0.11 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1obt n ASN 236 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1obt n GLY 237 N 0.85 1.31 3.73 4.83 0.00 -0.45 -5.02 105.19 110.44 1obt n GLY 237 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1obt n GLY 237 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1obt s SER 238 N -3.12 6.67 0.50 1.61 0.01 -1.26 -4.67 113.70 113.43 1obt s SER 238 Ca 0.00 2.59 -0.20 0.00 1.31 0.00 0.00 55.95 59.65 1obt s SER 238 Cb 0.00 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 1obt s SER 238 CO 0.00 -0.73 1.04 -0.75 0.41 0.00 0.00 173.24 173.21 1obt s LYS 239 N 0.37 3.75 -0.01 12.44 2.47 -1.26 -0.23 119.74 137.27 1obt s LYS 239 Ca 0.64 1.35 -0.18 0.00 -1.56 0.00 0.00 55.97 56.22 1obt s LYS 239 Cb -0.42 -2.09 0.03 0.00 -1.46 0.00 0.00 37.83 33.90 1obt s LYS 239 CO 0.37 -0.47 0.38 -0.59 0.16 0.00 0.00 175.35 175.20 1obt s PHE 240 N -2.02 -0.27 -0.09 4.03 -0.71 -0.01 -4.87 117.98 114.05 1obt s PHE 240 Ca 0.67 0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 56.89 1obt s PHE 240 Cb -0.16 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1obt s PHE 240 CO 0.22 -0.45 0.18 -1.12 -1.34 0.00 0.00 175.22 172.70 1obt s SER 241 N -1.39 6.44 -0.20 1.98 0.01 -1.26 -0.69 113.70 118.59 1obt s SER 241 Ca -0.12 0.52 -0.07 0.00 1.31 0.00 0.00 55.95 57.59 1obt s SER 241 Cb -0.04 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1obt s SER 241 CO 0.04 0.38 0.05 -0.69 0.41 0.00 0.00 173.24 173.44 1obt s VAL 242 N -1.07 4.51 -0.21 3.43 1.01 0.29 -4.96 120.40 123.41 1obt s VAL 242 Ca 0.17 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1obt s VAL 242 Cb -0.13 -3.05 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 1obt s VAL 242 CO 0.07 0.42 0.27 -1.22 0.00 0.00 0.00 175.10 174.64 1obt n TYR 243 N 4.00 0.00 -3.94 5.22 4.01 -1.26 -2.09 117.16 123.10 1obt n TYR 243 Ca -0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 1obt n TYR 243 Cb 0.52 -0.09 -0.10 0.00 -0.31 0.00 0.00 39.34 39.36 1obt n TYR 243 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1obt s ASP 244 N -2.34 0.18 0.60 7.72 2.15 -1.26 -1.10 116.67 122.62 1obt s ASP 244 Ca 0.00 -0.46 0.38 0.00 0.43 0.00 0.00 52.55 52.90 1obt s ASP 244 Cb 0.06 0.17 1.83 0.00 -0.30 0.00 0.00 42.92 44.68 1obt s ASP 244 CO 0.34 -0.40 2.15 1.62 -0.17 0.00 0.00 175.17 178.72 1obt h VAL 245 N 4.16 0.00 -0.83 1.11 3.04 -1.62 -3.33 116.25 118.78 1obt h VAL 245 Ca -0.32 -0.28 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1obt h VAL 245 Cb 1.19 1.28 -0.04 0.00 -2.01 0.00 0.00 31.29 31.71 1obt h VAL 245 CO 0.45 0.00 0.42 0.77 -1.01 0.00 0.00 177.57 178.20 1obt h SER 246 N 0.00 1.06 1.26 3.17 4.64 -1.96 -1.40 113.55 120.32 1obt h SER 246 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1obt h SER 246 Cb 0.28 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1obt h SER 246 CO 0.00 0.87 0.00 2.30 -0.87 0.00 0.00 176.83 179.13 1obt n ILE 247 N -4.32 0.53 0.67 0.95 -5.35 -1.25 -2.74 119.36 107.84 1obt n ILE 247 Ca 0.08 -0.15 0.12 0.00 -0.27 0.00 0.00 62.75 62.54 1obt n ILE 247 Cb 0.12 -0.66 0.24 0.00 -1.74 0.00 0.00 39.64 37.60 1obt n ILE 247 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1obt n LEU 248 N -2.10 0.65 -0.32 7.28 4.77 -0.54 -4.34 117.00 122.39 1obt n LEU 248 Ca 0.05 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.25 1obt n LEU 248 Cb 0.38 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1obt n LEU 248 CO 0.28 -0.04 1.16 0.40 -1.33 0.00 0.00 177.39 177.85 1obt h ILE 249 N 0.00 1.26 0.00 -0.08 2.04 -1.33 0.87 117.51 120.28 1obt h ILE 249 Ca 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1obt h ILE 249 Cb 0.69 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1obt h ILE 249 CO 0.00 0.30 0.00 -0.81 0.00 0.00 0.00 178.15 177.64 1obt n PRO 250 N -4.32 0.79 -0.10 2.37 -0.04 -1.26 -4.24 135.00 128.20 1obt n PRO 250 Ca 0.09 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.37 1obt n PRO 250 Cb 0.11 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 1obt n PRO 250 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1obt n ILE 251 N -1.09 1.08 -3.76 0.52 5.41 -0.09 -4.35 119.36 117.07 1obt n ILE 251 Ca 0.20 -0.31 -0.36 0.00 1.00 0.00 0.00 62.75 63.28 1obt n ILE 251 Cb 0.15 -1.59 -0.07 0.00 -0.71 0.00 0.00 39.64 37.42 1obt n ILE 251 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1obt s ILE 252 N -2.36 5.43 -0.07 1.39 2.07 0.11 -2.05 121.20 125.71 1obt s ILE 252 Ca -0.27 0.22 0.21 0.00 -1.41 0.00 0.00 60.65 59.40 1obt s ILE 252 Cb 0.09 -3.46 -0.32 0.00 0.13 0.00 0.00 42.46 38.91 1obt s ILE 252 CO 0.37 0.49 0.40 0.00 -1.91 0.00 0.00 174.94 174.29 1obt n ALA 253 N 3.07 2.53 -3.34 1.50 0.00 0.01 -4.75 120.51 119.53 1obt n ALA 253 Ca -0.17 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.44 1obt n ALA 253 Cb 0.53 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.25 1obt n ALA 253 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1obt s LEU 254 N -4.74 0.31 0.08 0.00 1.43 -1.12 -4.17 118.68 110.47 1obt s LEU 254 Ca -0.08 0.67 0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1obt s LEU 254 Cb 0.12 1.60 -0.03 0.00 0.03 0.00 0.00 46.19 47.91 1obt s LEU 254 CO 0.89 -0.29 -0.22 -0.04 0.23 0.00 0.00 176.35 176.92 1obt s MET 255 N -0.35 1.36 0.38 1.70 -1.94 -0.69 -4.86 119.30 114.90 1obt s MET 255 Ca -0.05 -1.10 -0.24 0.00 -1.71 0.00 0.00 55.69 52.60 1obt s MET 255 Cb -0.03 -1.59 -0.10 0.00 2.01 0.00 0.00 34.83 35.12 1obt s MET 255 CO 0.03 0.39 0.99 0.54 -0.01 0.00 0.00 175.02 176.96 1obt s VAL 256 N -0.95 4.05 0.10 -6.03 0.11 -1.26 -0.89 120.40 115.53 1obt s VAL 256 Ca 0.09 1.53 -0.31 0.00 -2.93 0.00 0.00 61.98 60.36 1obt s VAL 256 Cb -0.10 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 1obt s VAL 256 CO 0.03 -0.03 1.47 -0.47 -3.33 0.00 0.00 175.10 172.77 1obt s TYR 257 N -1.78 3.02 -0.00 1.54 6.14 -1.26 -4.80 117.35 120.21 1obt s TYR 257 Ca 0.56 0.77 0.00 0.00 0.64 0.00 0.00 57.07 59.04 1obt s TYR 257 Cb -0.18 -3.77 -0.00 0.00 0.42 0.00 0.00 41.96 38.43 1obt s TYR 257 CO 0.22 -2.84 -0.00 0.54 0.64 0.00 0.00 175.55 174.12 1obt n ARG 258 N 4.43 0.01 -3.95 4.97 5.12 -1.26 -4.99 116.66 120.99 1obt n ARG 258 Ca 0.13 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.97 1obt n ARG 258 Cb 0.41 -0.95 -0.04 0.00 -1.16 0.00 0.00 32.46 30.72 1obt n ARG 258 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1obt s ALA 260 N -3.98 2.98 0.18 0.00 0.00 -1.26 -5.01 121.76 114.67 1obt s ALA 260 Ca 0.18 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1obt s ALA 260 Cb -0.03 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1obt s ALA 260 CO 0.08 -0.16 1.36 -1.25 0.00 0.00 0.00 175.76 175.79 1obt s PRO 261 N -3.55 4.34 0.97 0.00 0.04 -1.26 -4.99 135.00 130.55 1obt s PRO 261 Ca 0.62 2.11 -0.12 0.00 0.04 0.00 0.00 61.00 63.65 1obt s PRO 261 Cb -0.11 -3.20 0.11 0.00 0.04 0.00 0.00 34.50 31.34 1obt s PRO 261 CO 0.22 -0.35 0.72 -0.35 0.04 0.00 0.00 177.00 177.28 1obt n PRO 262 N 3.03 -0.62 0.00 0.56 -0.04 -1.26 -5.27 135.00 131.40 1obt n PRO 262 Ca 0.08 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1obt n PRO 262 Cb 0.42 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1obt n PRO 262 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16