#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nvy s ASN 3 N 0.00 -0.30 -0.16 4.04 0.01 -1.26 -5.06 114.94 112.21 2nvy s ASN 3 Ca 0.00 -0.26 -0.09 0.00 -0.71 0.00 0.00 52.86 51.80 2nvy s ASN 3 Cb 0.00 0.51 0.06 0.00 0.41 0.00 0.00 41.25 42.23 2nvy s ASN 3 CO 0.00 -0.90 0.39 -0.89 -1.51 0.00 0.00 177.10 174.19 2nvy s THR 4 N -3.41 -0.03 -0.12 1.60 2.01 -1.26 -4.21 115.64 110.22 2nvy s THR 4 Ca 0.08 0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 2nvy s THR 4 Cb -0.02 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.85 2nvy s THR 4 CO -0.02 0.04 -0.19 0.18 -0.69 0.00 0.00 174.62 173.93 2nvy n LEU 5 N 4.24 1.19 -4.32 4.42 4.77 -1.26 -4.85 117.00 121.19 2nvy n LEU 5 Ca -0.23 0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.75 2nvy n LEU 5 Cb 0.55 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 2nvy n LEU 5 CO 0.09 0.09 -0.46 0.12 -1.33 0.00 0.00 177.39 175.90 2nvy s PHE 6 N -2.33 1.67 -0.28 -1.77 5.36 -1.26 -4.73 117.98 114.63 2nvy s PHE 6 Ca -0.19 -0.54 -0.17 0.00 -0.96 0.00 0.00 56.93 55.07 2nvy s PHE 6 Cb 0.06 -0.81 0.09 0.00 -0.34 0.00 0.00 43.02 42.02 2nvy s PHE 6 CO 0.25 0.29 0.73 0.34 -1.46 0.00 0.00 175.22 175.38 2nvy s ASP 7 N -2.90 -0.88 0.00 6.13 -1.08 -1.25 -1.90 116.67 114.78 2nvy s ASP 7 Ca 0.17 1.43 0.00 0.00 -0.52 0.00 0.00 52.55 53.63 2nvy s ASP 7 Cb -0.03 1.37 0.00 0.00 -1.46 0.00 0.00 42.92 42.80 2nvy s ASP 7 CO 0.06 -0.23 0.00 -0.67 0.52 0.00 0.00 175.17 174.85 2nvy n ASP 8 N 4.13 0.00 -4.64 -0.34 2.03 -1.21 -5.01 116.55 111.51 2nvy n ASP 8 Ca -0.19 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.77 2nvy n ASP 8 Cb 0.59 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.89 2nvy n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2nvy s ILE 9 N -2.00 4.62 0.26 5.18 1.01 -1.26 0.98 121.20 129.99 2nvy s ILE 9 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2nvy s ILE 9 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2nvy s ILE 9 CO 0.00 0.50 0.04 -0.36 0.00 0.00 0.00 174.94 175.13 2nvy s PHE 10 N 0.04 2.79 -0.48 3.97 0.40 0.32 -2.17 117.98 122.84 2nvy s PHE 10 Ca 0.04 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 2nvy s PHE 10 Cb -0.12 -1.25 0.13 0.00 0.51 0.00 0.00 43.02 42.29 2nvy s PHE 10 CO 0.01 0.60 0.24 -1.14 0.70 0.00 0.00 175.22 175.62 2nvy s GLN 11 N -3.72 1.74 -0.82 0.44 2.00 0.11 -0.58 119.66 118.83 2nvy s GLN 11 Ca 0.32 -2.38 -0.25 0.00 -2.00 0.00 0.00 55.36 51.05 2nvy s GLN 11 Cb -0.07 -3.02 -0.04 0.00 0.80 0.00 0.00 33.01 30.68 2nvy s GLN 11 CO 0.21 -1.11 1.92 0.08 -0.50 0.00 0.00 175.29 175.89 2nvy s VAL 12 N -0.01 3.42 0.31 1.34 1.01 -0.57 0.10 120.40 126.01 2nvy s VAL 12 Ca 0.17 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2nvy s VAL 12 Cb -0.25 -3.99 0.09 0.00 0.00 0.00 0.00 36.38 32.23 2nvy s VAL 12 CO -0.01 -0.94 1.77 0.77 0.00 0.00 0.00 175.10 176.69 2nvy h SER 13 N 12.33 0.42 -4.98 3.32 4.64 -1.72 0.82 113.55 128.38 2nvy h SER 13 Ca -0.00 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 2nvy h SER 13 Cb 1.05 -0.11 -0.20 0.00 -0.31 0.00 0.00 62.40 62.83 2nvy h SER 13 CO 1.21 0.64 -0.14 -0.70 -0.87 0.00 0.00 176.83 176.97 2nvy s GLU 14 N -4.58 0.78 -0.24 4.77 2.12 -1.22 -4.62 118.70 115.71 2nvy s GLU 14 Ca -0.07 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.19 2nvy s GLU 14 Cb 0.14 0.35 0.08 0.00 0.26 0.00 0.00 34.13 34.96 2nvy s GLU 14 CO 0.78 -0.22 0.06 0.08 -0.54 0.00 0.00 175.26 175.41 2nvy s VAL 15 N -1.28 0.62 -0.31 3.70 1.01 -1.26 -1.35 120.40 121.54 2nvy s VAL 15 Ca -0.13 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 2nvy s VAL 15 Cb -0.04 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2nvy s VAL 15 CO 0.06 -0.40 0.53 -0.62 0.00 0.00 0.00 175.10 174.67 2nvy s ASP 16 N 1.78 6.38 0.26 3.32 2.15 -0.66 -4.86 116.67 125.05 2nvy s ASP 16 Ca 0.03 0.26 0.18 0.00 0.43 0.00 0.00 52.55 53.45 2nvy s ASP 16 Cb -0.17 -2.28 0.07 0.00 -0.30 0.00 0.00 42.92 40.24 2nvy s ASP 16 CO -0.16 -0.40 1.32 1.55 -0.17 0.00 0.00 175.17 177.31 2nvy h PRO 17 N 8.25 0.00 0.00 4.34 0.13 -1.90 0.19 132.00 143.01 2nvy h PRO 17 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2nvy h PRO 17 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2nvy h PRO 17 CO 0.75 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 2nvy n GLY 18 N 1.23 0.00 4.45 1.56 0.00 -1.26 -1.25 105.19 109.91 2nvy n GLY 18 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2nvy n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nvy n ARG 19 N 0.75 0.00 -2.57 1.61 5.12 -1.26 -4.87 116.66 115.44 2nvy n ARG 19 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 2nvy n ARG 19 Cb 0.00 -2.75 0.08 0.00 -1.16 0.00 0.00 32.46 28.62 2nvy n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2nvy s TYR 20 N -0.45 2.23 0.00 -1.55 1.51 -0.38 -5.05 117.35 113.67 2nvy s TYR 20 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2nvy s TYR 20 Cb 0.00 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 2nvy s TYR 20 CO 0.00 -1.34 0.00 0.09 -1.11 0.00 0.00 175.55 173.19 2nvy n ASN 21 N -2.64 1.97 -0.13 2.29 3.02 -1.26 -4.78 115.26 113.72 2nvy n ASN 21 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.69 2nvy n ASN 21 Cb 0.60 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 2nvy n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nvy n LYS 22 N -0.98 2.18 -4.52 3.52 5.02 -1.26 -4.81 118.16 117.31 2nvy n LYS 22 Ca 0.00 -0.48 -0.21 0.00 -2.02 0.00 0.00 58.31 55.60 2nvy n LYS 22 Cb 0.15 -0.95 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 2nvy n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2nvy s VAL 23 N -0.91 0.94 0.04 -0.18 1.01 -1.26 -0.35 120.40 119.70 2nvy s VAL 23 Ca 0.05 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2nvy s VAL 23 Cb 0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2nvy s VAL 23 CO 0.13 0.27 -0.09 0.00 0.00 0.00 0.00 175.10 175.41 2nvy s ARG 25 N -1.40 2.98 -0.19 0.00 3.52 0.67 -0.57 118.95 123.96 2nvy s ARG 25 Ca -0.06 -1.34 -0.18 0.00 -0.13 0.00 0.00 55.73 54.02 2nvy s ARG 25 Cb -0.09 -4.13 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 2nvy s ARG 25 CO 0.01 -1.03 0.49 0.42 -0.81 0.00 0.00 175.30 174.37 2nvy s ILE 26 N 1.66 5.14 -0.79 4.11 1.01 0.49 -1.65 121.20 131.17 2nvy s ILE 26 Ca 0.04 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.61 2nvy s ILE 26 Cb -0.24 -3.81 0.21 0.00 0.01 0.00 0.00 42.46 38.63 2nvy s ILE 26 CO 0.07 0.21 0.71 1.21 0.00 0.00 0.00 174.94 177.14 2nvy n GLU 27 N 4.59 2.43 -2.69 2.79 2.13 -0.45 0.06 120.64 129.49 2nvy n GLU 27 Ca -0.06 -4.53 -0.40 0.00 0.66 0.00 0.00 57.16 52.83 2nvy n GLU 27 Cb 0.51 -2.34 -0.06 0.00 0.27 0.00 0.00 31.44 29.82 2nvy n GLU 27 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nvy s ALA 28 N -1.71 3.35 0.96 4.31 0.00 -0.92 -1.94 121.76 125.81 2nvy s ALA 28 Ca 0.29 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 2nvy s ALA 28 Cb -0.01 -3.24 0.20 0.00 0.00 0.00 0.00 23.12 20.07 2nvy s ALA 28 CO -0.11 0.12 1.32 0.00 0.00 0.00 0.00 175.76 177.09 2nvy s ALA 29 N -1.20 2.28 -0.12 0.00 0.00 0.12 -1.82 121.76 121.01 2nvy s ALA 29 Ca 0.42 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2nvy s ALA 29 Cb -0.27 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2nvy s ALA 29 CO 0.34 -2.43 -0.03 0.45 0.00 0.00 0.00 175.76 174.09 2nvy s SER 30 N -4.90 4.87 0.19 0.00 0.15 -1.16 0.06 113.70 112.92 2nvy s SER 30 Ca 0.74 -0.04 -0.30 0.00 0.70 0.00 0.00 55.95 57.05 2nvy s SER 30 Cb -0.04 -1.57 -0.08 0.00 -1.71 0.00 0.00 66.02 62.62 2nvy s SER 30 CO 0.53 0.26 1.27 -0.89 1.20 0.00 0.00 173.24 175.61 2nvy s THR 31 N -0.20 3.36 0.00 6.45 2.01 -0.92 -4.28 115.64 122.06 2nvy s THR 31 Ca 0.04 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.16 2nvy s THR 31 Cb -0.13 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2nvy s THR 31 CO 0.02 0.17 0.00 0.41 -0.69 0.00 0.00 174.62 174.53 2nvy n THR 32 N 2.66 0.00 -3.31 -0.82 -1.04 -1.26 -4.73 114.28 105.78 2nvy n THR 32 Ca 0.06 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.69 2nvy n THR 32 Cb 0.44 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.89 2nvy n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2nvy s GLN 33 N 0.00 4.33 0.51 -2.82 -0.21 -1.26 -4.96 119.66 115.25 2nvy s GLN 33 Ca 0.00 0.44 0.28 0.00 0.02 0.00 0.00 55.36 56.11 2nvy s GLN 33 Cb 0.00 -3.44 1.31 0.00 1.00 0.00 0.00 33.01 31.88 2nvy s GLN 33 CO 0.00 0.14 1.99 -0.44 -2.12 0.00 0.00 175.29 174.86 2nvy h ASP 34 N 6.76 0.00 0.56 5.90 3.32 -1.95 -3.09 116.42 127.92 2nvy h ASP 34 Ca -0.41 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 2nvy h ASP 34 Cb 1.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.73 2nvy h ASP 34 CO 0.76 0.13 -0.27 1.56 -1.72 0.00 0.00 179.24 179.70 2nvy h GLN 35 N 0.00 -0.72 -6.35 3.56 4.20 -1.92 -3.44 115.11 110.43 2nvy h GLN 35 Ca -0.00 0.05 -0.56 0.00 0.06 0.00 0.00 58.65 58.20 2nvy h GLN 35 Cb 0.49 0.16 0.02 0.00 0.30 0.00 0.00 27.48 28.45 2nvy h GLN 35 CO 0.02 -0.42 1.18 0.00 -0.67 0.00 0.00 178.83 178.93 2nvy s LYS 37 N 4.18 1.14 -0.05 0.00 1.02 -0.94 -2.96 119.74 122.13 2nvy s LYS 37 Ca 0.90 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 2nvy s LYS 37 Cb -0.52 -0.63 0.03 0.00 -0.52 0.00 0.00 37.83 36.19 2nvy s LYS 37 CO 0.45 0.03 0.10 -1.17 -0.92 0.00 0.00 175.35 173.84 2nvy s LEU 38 N -3.21 1.08 -0.10 3.17 2.96 -0.76 -2.48 118.68 119.34 2nvy s LEU 38 Ca 0.20 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2nvy s LEU 38 Cb 0.03 0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.98 2nvy s LEU 38 CO 0.03 -0.11 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.91 2nvy s THR 39 N 0.83 1.42 -0.11 3.68 2.01 -1.17 -2.17 115.64 120.13 2nvy s THR 39 Ca -0.06 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 2nvy s THR 39 Cb -0.09 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.15 2nvy s THR 39 CO -0.04 0.42 0.29 -0.22 -0.69 0.00 0.00 174.62 174.39 2nvy s LEU 40 N 0.97 0.75 -0.12 4.42 2.96 0.11 -0.97 118.68 126.80 2nvy s LEU 40 Ca -0.07 0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 54.28 2nvy s LEU 40 Cb -0.15 0.96 -0.05 0.00 0.50 0.00 0.00 46.19 47.45 2nvy s LEU 40 CO -0.01 -0.12 0.33 -1.81 -1.32 0.00 0.00 176.35 173.43 2nvy s ASP 41 N 0.44 6.53 -0.01 3.68 1.01 -0.55 0.19 116.67 127.97 2nvy s ASP 41 Ca -0.02 0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.88 2nvy s ASP 41 Cb -0.04 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.69 2nvy s ASP 41 CO -0.02 0.14 -0.04 -0.63 0.21 0.00 0.00 175.17 174.83 2nvy s ILE 42 N 0.14 0.31 -0.87 0.77 1.01 0.27 -4.62 121.20 118.20 2nvy s ILE 42 Ca 0.19 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 2nvy s ILE 42 Cb -0.14 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 2nvy s ILE 42 CO 0.06 0.10 1.77 0.21 0.00 0.00 0.00 174.94 177.08 2nvy s ASN 43 N 0.02 5.55 0.25 3.58 3.84 -1.26 -1.06 114.94 125.86 2nvy s ASN 43 Ca 0.00 -0.69 -0.03 0.00 0.21 0.00 0.00 52.86 52.35 2nvy s ASN 43 Cb -0.03 -2.56 0.46 0.00 -0.55 0.00 0.00 41.25 38.57 2nvy s ASN 43 CO -0.00 -2.34 1.78 0.58 -2.79 0.00 0.00 177.10 174.33 2nvy h VAL 44 N 7.01 0.81 -0.55 -5.21 2.07 -0.89 -0.79 116.25 118.70 2nvy h VAL 44 Ca 0.04 -0.23 0.16 0.00 0.82 0.00 0.00 66.70 67.49 2nvy h VAL 44 Cb 1.03 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2nvy h VAL 44 CO 1.27 0.12 0.40 -0.33 0.02 0.00 0.00 177.57 179.05 2nvy h GLU 45 N 0.68 0.03 -0.01 1.57 5.08 -1.87 -0.64 114.58 119.42 2nvy h GLU 45 Ca 0.42 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2nvy h GLU 45 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2nvy h GLU 45 CO -0.31 0.02 -0.72 1.28 -1.00 0.00 0.00 179.01 178.28 2nvy n LEU 46 N -4.38 1.27 -2.78 1.33 4.77 -0.36 -4.77 117.00 112.08 2nvy n LEU 46 Ca 0.10 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2nvy n LEU 46 Cb 0.61 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2nvy n LEU 46 CO 0.37 0.27 0.43 0.12 -1.33 0.00 0.00 177.39 177.25 2nvy s PHE 47 N -2.79 -0.49 0.55 -1.77 5.36 -0.44 -4.95 117.98 113.44 2nvy s PHE 47 Ca 0.13 0.01 -0.20 0.00 -0.96 0.00 0.00 56.93 55.91 2nvy s PHE 47 Cb 0.17 0.09 -0.07 0.00 -0.34 0.00 0.00 43.02 42.88 2nvy s PHE 47 CO 0.73 -0.35 0.98 -2.30 -1.46 0.00 0.00 175.22 172.82 2nvy n PRO 48 N 3.47 1.06 -3.95 10.12 -0.02 -0.38 -4.36 135.00 140.94 2nvy n PRO 48 Ca 0.08 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.78 2nvy n PRO 48 Cb 0.63 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.81 2nvy n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nvy s VAL 49 N -1.45 0.24 0.22 -1.45 1.01 -1.26 -5.04 120.40 112.66 2nvy s VAL 49 Ca 0.72 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.86 2nvy s VAL 49 Cb -0.45 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2nvy s VAL 49 CO 0.50 0.17 -0.15 0.00 0.00 0.00 0.00 175.10 175.62 2nvy s ALA 50 N 1.09 2.81 0.64 5.51 0.00 -1.26 -4.94 121.76 125.61 2nvy s ALA 50 Ca -0.09 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 2nvy s ALA 50 Cb -0.14 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2nvy s ALA 50 CO -0.02 0.38 1.31 0.00 0.00 0.00 0.00 175.76 177.43 2nvy s ALA 51 N -1.97 2.42 -0.11 0.00 0.00 -1.26 -2.40 121.76 118.43 2nvy s ALA 51 Ca 0.26 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2nvy s ALA 51 Cb -0.07 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2nvy s ALA 51 CO 0.14 -1.60 0.00 1.04 0.00 0.00 0.00 175.76 175.34 2nvy n GLN 52 N -1.83 -1.42 -1.11 0.00 6.02 0.29 -4.99 117.38 114.33 2nvy n GLN 52 Ca 0.15 0.41 -0.30 0.00 -0.01 0.00 0.00 57.00 57.25 2nvy n GLN 52 Cb 0.48 -4.50 0.24 0.00 1.02 0.00 0.00 30.24 27.48 2nvy n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2nvy s ASP 53 N -2.06 0.86 -0.03 1.08 1.01 -1.01 -4.70 116.67 111.82 2nvy s ASP 53 Ca 0.00 0.57 -0.00 0.00 0.71 0.00 0.00 52.55 53.83 2nvy s ASP 53 Cb 0.00 -0.76 0.03 0.00 1.01 0.00 0.00 42.92 43.20 2nvy s ASP 53 CO 0.00 -4.15 0.02 -0.94 0.21 0.00 0.00 175.17 170.31 2nvy s SER 54 N -3.98 0.35 -0.14 0.27 1.04 -1.25 -1.50 113.70 108.49 2nvy s SER 54 Ca 0.72 0.02 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2nvy s SER 54 Cb -0.09 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.92 2nvy s SER 54 CO 0.56 -0.13 -0.12 -0.76 0.98 0.00 0.00 173.24 173.76 2nvy s LEU 55 N 1.20 1.55 -0.47 2.42 1.43 0.25 -4.83 118.68 120.23 2nvy s LEU 55 Ca -0.07 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.30 2nvy s LEU 55 Cb -0.13 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2nvy s LEU 55 CO -0.03 -0.08 1.37 -0.89 0.23 0.00 0.00 176.35 176.95 2nvy s THR 56 N 1.55 3.91 -0.53 5.49 2.01 -1.23 0.12 115.64 126.96 2nvy s THR 56 Ca 0.05 0.88 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 2nvy s THR 56 Cb -0.13 -4.35 0.14 0.00 0.01 0.00 0.00 72.50 68.17 2nvy s THR 56 CO -0.10 -0.94 0.38 -0.69 -0.69 0.00 0.00 174.62 172.57 2nvy s VAL 57 N 5.49 4.01 -0.24 3.82 1.01 0.27 -2.76 120.40 132.01 2nvy s VAL 57 Ca 0.56 -2.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.22 2nvy s VAL 57 Cb -0.11 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2nvy s VAL 57 CO 0.30 -0.81 0.24 -0.89 0.00 0.00 0.00 175.10 173.95 2nvy s THR 58 N 0.86 5.30 -0.02 3.92 2.01 -0.52 -3.35 115.64 123.83 2nvy s THR 58 Ca 0.10 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 2nvy s THR 58 Cb -0.23 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2nvy s THR 58 CO -0.03 0.29 0.24 0.40 -0.69 0.00 0.00 174.62 174.84 2nvy h ILE 59 N 5.09 0.00 -3.23 1.82 2.04 -1.63 0.13 117.51 121.73 2nvy h ILE 59 Ca -0.37 -0.28 0.38 0.00 1.00 0.00 0.00 64.86 65.60 2nvy h ILE 59 Cb 1.17 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.14 2nvy h ILE 59 CO 0.66 0.00 -0.61 0.00 0.00 0.00 0.00 178.15 178.19 2nvy n ALA 60 N -2.27 -3.76 -2.62 1.87 0.00 -1.26 -3.86 120.51 108.61 2nvy n ALA 60 Ca -0.01 0.51 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 2nvy n ALA 60 Cb 0.04 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.22 2nvy n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nvy n SER 61 N -4.32 -1.03 -3.64 0.00 3.41 -1.26 -2.95 113.62 103.83 2nvy n SER 61 Ca -0.00 -1.77 0.02 0.00 -0.26 0.00 0.00 58.87 56.86 2nvy n SER 61 Cb 0.67 0.61 -0.00 0.00 -0.26 0.00 0.00 64.21 65.23 2nvy n SER 61 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2nvy s SER 62 N -0.59 -0.05 -0.96 4.04 1.04 -1.26 -4.74 113.70 111.18 2nvy s SER 62 Ca 0.07 -0.15 -0.21 0.00 0.48 0.00 0.00 55.95 56.14 2nvy s SER 62 Cb 0.22 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.53 2nvy s SER 62 CO -0.06 -0.31 0.39 0.18 0.98 0.00 0.00 173.24 174.42 2nvy n LEU 63 N -0.55 -0.21 0.00 2.42 4.77 -1.26 -4.92 117.00 117.25 2nvy n LEU 63 Ca -0.07 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2nvy n LEU 63 Cb 0.62 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2nvy n LEU 63 CO 0.13 0.56 0.00 0.41 -1.33 0.00 0.00 177.39 177.16 2nvy n THR 76 N -3.94 0.00 -1.26 -5.08 -1.04 -1.26 -4.83 114.28 96.87 2nvy n THR 76 Ca -0.12 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.04 2nvy n THR 76 Cb 0.44 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.87 2nvy n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2nvy n ARG 77 N 0.00 -2.95 -0.68 -2.82 1.74 -1.26 -4.89 116.66 105.80 2nvy n ARG 77 Ca 0.00 2.41 -0.29 0.00 -0.77 0.00 0.00 57.85 59.20 2nvy n ARG 77 Cb 0.12 -3.40 0.21 0.00 -1.02 0.00 0.00 32.46 28.37 2nvy n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2nvy s SER 78 N -6.74 1.96 0.00 0.55 1.04 -1.26 -5.00 113.70 104.26 2nvy s SER 78 Ca 0.00 1.76 0.01 0.00 0.48 0.00 0.00 55.95 58.20 2nvy s SER 78 Cb 0.00 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2nvy s SER 78 CO 0.00 -3.63 0.05 0.86 0.98 0.00 0.00 173.24 171.50 2nvy s TRP 79 N -2.59 3.20 -0.09 5.02 -0.00 -1.26 -5.11 118.94 118.11 2nvy s TRP 79 Ca 0.67 0.15 0.02 0.00 -0.00 0.00 0.00 56.10 56.95 2nvy s TRP 79 Cb -0.23 -1.70 -0.02 0.00 -0.00 0.00 0.00 33.47 31.52 2nvy s TRP 79 CO 0.61 0.52 -0.16 1.03 -0.00 0.00 0.00 176.95 178.95 2nvy s ARG 80 N -1.74 2.98 0.00 5.86 0.52 -1.26 -5.10 118.95 120.21 2nvy s ARG 80 Ca 0.22 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 2nvy s ARG 80 Cb -0.12 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2nvy s ARG 80 CO 0.13 0.35 0.13 -2.30 0.02 0.00 0.00 175.30 173.63 2nvy n PRO 81 N 3.10 0.00 0.00 3.54 -0.02 -1.26 -4.92 135.00 135.44 2nvy n PRO 81 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2nvy n PRO 81 Cb 0.52 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 2nvy n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nvy n PRO 82 N -0.34 3.30 0.00 0.52 -0.05 -1.26 -4.45 135.00 132.72 2nvy n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 2nvy n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 2nvy n PRO 82 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 2nvy n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -3.45 117.38 119.23 2nvy n GLN 83 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 2nvy n GLN 83 Cb 0.00 0.00 0.65 0.00 1.02 0.00 0.00 30.24 31.91 2nvy n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nvy n ALA 84 N 0.00 2.72 0.75 -1.58 0.00 -1.26 -3.25 120.51 117.89 2nvy n ALA 84 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.28 2nvy n ALA 84 Cb 0.00 -1.34 0.28 0.00 0.00 0.00 0.00 19.45 18.39 2nvy n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nvy n GLY 85 N 1.22 -1.42 0.11 0.00 0.00 -1.22 -2.68 105.19 101.21 2nvy n GLY 85 Ca 0.17 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.01 2nvy n GLY 85 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2nvy h ASP 86 N 0.00 0.00 0.00 1.61 1.82 -1.86 -3.47 116.42 114.52 2nvy h ASP 86 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2nvy h ASP 86 Cb 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2nvy h ASP 86 CO 0.00 0.34 0.00 0.54 -1.61 0.00 0.00 179.24 178.51 2nvy n ARG 87 N -2.87 0.00 -0.08 0.28 1.74 -1.20 -4.91 116.66 109.63 2nvy n ARG 87 Ca -0.04 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.02 2nvy n ARG 87 Cb 0.71 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.14 2nvy n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2nvy n SER 88 N 0.00 0.43 -3.38 0.55 3.41 -1.09 -4.75 113.62 108.80 2nvy n SER 88 Ca 0.00 -1.70 -0.32 0.00 -0.26 0.00 0.00 58.87 56.58 2nvy n SER 88 Cb 0.00 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2nvy n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nvy n LEU 89 N 3.52 5.35 0.00 1.04 4.77 -1.26 -4.60 117.00 125.82 2nvy n LEU 89 Ca 0.04 -3.20 0.02 0.00 -0.03 0.00 0.00 56.01 52.84 2nvy n LEU 89 Cb 0.05 -1.21 0.11 0.00 -2.33 0.00 0.00 43.42 40.04 2nvy n LEU 89 CO 0.32 0.56 0.29 0.00 -1.33 0.00 0.00 177.39 177.24 2nvy n ALA 90 N 5.26 1.84 -2.96 -1.18 0.00 -1.26 -4.03 120.51 118.19 2nvy n ALA 90 Ca 0.51 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 2nvy n ALA 90 Cb 0.25 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.65 2nvy n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nvy n ASP 91 N -0.68 6.56 -0.55 0.00 3.85 -1.26 -4.74 116.55 119.73 2nvy n ASP 91 Ca 0.03 -3.45 0.00 0.00 -0.71 0.00 0.00 54.79 50.65 2nvy n ASP 91 Cb 0.01 -1.26 0.00 0.00 -1.35 0.00 0.00 41.12 38.53 2nvy n ASP 91 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2nvy n ASP 92 N 1.13 0.76 -4.43 -1.12 8.00 -1.26 -4.75 116.55 114.88 2nvy n ASP 92 Ca 0.29 -1.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.26 2nvy n ASP 92 Cb 0.32 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2nvy n ASP 92 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2nvy s TYR 93 N -0.88 1.98 -0.17 1.24 1.51 -1.26 -4.85 117.35 114.92 2nvy s TYR 93 Ca 0.00 -0.98 -0.15 0.00 -1.01 0.00 0.00 57.07 54.94 2nvy s TYR 93 Cb 0.00 -1.32 -0.06 0.00 -0.11 0.00 0.00 41.96 40.48 2nvy s TYR 93 CO 0.00 0.01 -0.27 -0.25 -1.11 0.00 0.00 175.55 173.93 2nvy n ASP 94 N -0.80 1.89 -4.70 2.29 8.00 -0.60 -4.91 116.55 117.72 2nvy n ASP 94 Ca -0.03 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 2nvy n ASP 94 Cb 0.66 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 2nvy n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2nvy s TYR 95 N -2.63 3.59 -0.41 1.24 6.04 -0.63 -4.96 117.35 119.59 2nvy s TYR 95 Ca -0.24 1.57 0.04 0.00 0.04 0.00 0.00 57.07 58.47 2nvy s TYR 95 Cb 0.04 -3.08 0.17 0.00 -1.04 0.00 0.00 41.96 38.04 2nvy s TYR 95 CO 0.36 -0.07 0.35 0.08 -1.54 0.00 0.00 175.55 174.72 2nvy s VAL 96 N 1.34 0.18 0.83 3.14 1.01 -1.25 -0.98 120.40 124.68 2nvy s VAL 96 Ca 0.48 -2.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.01 2nvy s VAL 96 Cb -0.19 -1.12 0.11 0.00 0.00 0.00 0.00 36.38 35.17 2nvy s VAL 96 CO 0.23 -1.09 1.20 -0.04 0.00 0.00 0.00 175.10 175.39 2nvy s MET 97 N 0.33 1.66 -0.21 2.72 -1.94 -0.05 -4.86 119.30 116.96 2nvy s MET 97 Ca 0.30 -0.07 -0.05 0.00 -1.71 0.00 0.00 55.69 54.16 2nvy s MET 97 Cb -0.01 -1.95 0.10 0.00 2.01 0.00 0.00 34.83 34.98 2nvy s MET 97 CO -0.15 -1.76 0.39 -0.47 -0.01 0.00 0.00 175.02 173.02 2nvy s TYR 98 N -3.62 -0.77 0.31 -0.03 5.04 -1.26 0.03 117.35 117.05 2nvy s TYR 98 Ca 0.65 1.23 0.03 0.00 -2.44 0.00 0.00 57.07 56.53 2nvy s TYR 98 Cb -0.09 0.17 -0.05 0.00 0.35 0.00 0.00 41.96 42.34 2nvy s TYR 98 CO 0.49 -0.55 0.09 0.20 -1.34 0.00 0.00 175.55 174.44 2nvy s GLY 99 N 2.57 2.04 -0.08 8.97 0.00 -1.10 -4.57 107.32 115.16 2nvy s GLY 99 Ca 0.04 -1.86 -0.00 0.00 0.00 0.00 0.00 44.72 42.90 2nvy s GLY 99 CO -0.13 -1.73 -0.04 -1.59 0.00 0.00 0.00 173.10 169.61 2nvy s THR 100 N -3.46 3.95 -0.74 0.90 2.01 0.17 -3.55 115.64 114.91 2nvy s THR 100 Ca 0.35 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.70 2nvy s THR 100 Cb 0.07 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.97 2nvy s THR 100 CO 0.15 0.60 1.47 0.00 -0.69 0.00 0.00 174.62 176.15 2nvy s ALA 101 N -0.82 2.56 -0.37 7.40 0.00 -1.24 -0.25 121.76 129.04 2nvy s ALA 101 Ca 0.13 -1.28 0.10 0.00 0.00 0.00 0.00 51.96 50.91 2nvy s ALA 101 Cb -0.11 -4.31 0.67 0.00 0.00 0.00 0.00 23.12 19.38 2nvy s ALA 101 CO 0.02 -3.53 1.59 2.48 0.00 0.00 0.00 175.76 176.32 2nvy n TYR 102 N 10.36 1.90 -1.35 0.00 0.18 -1.20 -4.59 117.16 122.46 2nvy n TYR 102 Ca 0.12 -0.77 -0.34 0.00 1.88 0.00 0.00 57.90 58.78 2nvy n TYR 102 Cb 0.50 -0.51 -0.15 0.00 -0.38 0.00 0.00 39.34 38.80 2nvy n TYR 102 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2nvy n LYS 103 N 0.30 0.00 -2.57 -3.48 5.02 -0.94 -4.75 118.16 111.74 2nvy n LYS 103 Ca 0.28 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 2nvy n LYS 103 Cb 1.12 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.84 2nvy n LYS 103 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2nvy s PHE 104 N 6.86 2.65 -0.91 2.13 0.40 -1.26 -4.75 117.98 123.09 2nvy s PHE 104 Ca 1.22 -1.20 -0.26 0.00 -0.60 0.00 0.00 56.93 56.09 2nvy s PHE 104 Cb -1.08 -4.73 -0.18 0.00 0.51 0.00 0.00 43.02 37.54 2nvy s PHE 104 CO 0.45 -1.88 2.28 0.39 0.70 0.00 0.00 175.22 177.17 2nvy n GLU 105 N 8.66 0.35 0.14 0.44 4.71 -1.23 -4.50 120.64 129.21 2nvy n GLU 105 Ca 0.40 -1.21 0.17 0.00 -0.01 0.00 0.00 57.16 56.52 2nvy n GLU 105 Cb 0.49 -3.78 0.75 0.00 -1.01 0.00 0.00 31.44 27.89 2nvy n GLU 105 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2nvy h GLU 106 N 12.24 0.00 -3.94 3.49 5.08 -1.84 -3.45 114.58 126.16 2nvy h GLU 106 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2nvy h GLU 106 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2nvy h GLU 106 CO 1.01 0.00 -0.48 0.28 -1.00 0.00 0.00 179.01 178.81 2nvy n VAL 107 N -4.08 -1.09 -1.74 3.13 0.31 -1.26 -4.85 118.33 108.74 2nvy n VAL 107 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.98 2nvy n VAL 107 Cb 0.40 -2.54 -0.03 0.00 -0.91 0.00 0.00 33.84 30.76 2nvy n VAL 107 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2nvy s SER 108 N -2.28 5.03 0.85 4.52 1.04 -1.16 -4.61 113.70 117.08 2nvy s SER 108 Ca 0.12 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2nvy s SER 108 Cb -0.06 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2nvy s SER 108 CO 0.15 -2.43 0.00 0.29 0.98 0.00 0.00 173.24 172.24 2nvy n LYS 109 N 8.92 0.00 -0.01 4.02 5.02 -1.26 -1.96 118.16 132.90 2nvy n LYS 109 Ca 0.30 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.59 2nvy n LYS 109 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 2nvy n LYS 109 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2nvy n ASP 110 N 7.22 4.24 -4.91 4.39 8.00 -1.26 -5.06 116.55 129.17 2nvy n ASP 110 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 2nvy n ASP 110 Cb 0.00 0.96 0.05 0.00 -0.02 0.00 0.00 41.12 42.11 2nvy n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2nvy s LEU 111 N -3.57 2.93 -0.35 0.64 1.43 -0.83 -4.90 118.68 114.04 2nvy s LEU 111 Ca -0.01 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2nvy s LEU 111 Cb 0.02 -3.52 0.11 0.00 0.03 0.00 0.00 46.19 42.82 2nvy s LEU 111 CO 0.13 -1.39 0.10 -0.63 0.23 0.00 0.00 176.35 174.79 2nvy s ILE 112 N -3.24 1.72 0.03 -0.59 1.01 -0.67 -3.01 121.20 116.44 2nvy s ILE 112 Ca 0.58 -2.09 -0.25 0.00 0.00 0.00 0.00 60.65 58.89 2nvy s ILE 112 Cb -0.11 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2nvy s ILE 112 CO 0.48 -0.67 0.77 0.00 0.00 0.00 0.00 174.94 175.52 2nvy s ALA 113 N 1.03 3.36 -0.01 9.38 0.00 -1.26 -2.76 121.76 131.50 2nvy s ALA 113 Ca 0.12 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2nvy s ALA 113 Cb -0.19 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 2nvy s ALA 113 CO -0.13 0.04 -0.13 0.14 0.00 0.00 0.00 175.76 175.67 2nvy s VAL 114 N 0.07 1.05 0.03 0.00 -7.23 0.16 -2.50 120.40 111.98 2nvy s VAL 114 Ca 0.39 -0.56 0.06 0.00 -1.81 0.00 0.00 61.98 60.06 2nvy s VAL 114 Cb -0.20 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 2nvy s VAL 114 CO 0.23 0.30 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.84 2nvy s TYR 115 N -0.30 2.61 0.01 2.82 1.51 -1.26 -0.20 117.35 122.54 2nvy s TYR 115 Ca 0.05 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2nvy s TYR 115 Cb -0.05 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2nvy s TYR 115 CO -0.00 0.25 -0.05 0.71 -1.11 0.00 0.00 175.55 175.35 2nvy s TYR 116 N -0.91 0.42 -0.23 2.71 4.12 0.42 -2.20 117.35 121.68 2nvy s TYR 116 Ca 0.15 -0.18 -0.02 0.00 0.02 0.00 0.00 57.07 57.04 2nvy s TYR 116 Cb -0.11 -0.27 0.02 0.00 -1.52 0.00 0.00 41.96 40.09 2nvy s TYR 116 CO 0.05 -0.03 -0.08 0.45 0.02 0.00 0.00 175.55 175.96 2nvy s SER 117 N -0.47 4.14 -0.95 2.29 0.15 0.66 0.74 113.70 120.26 2nvy s SER 117 Ca -0.02 -0.74 -0.09 0.00 0.70 0.00 0.00 55.95 55.80 2nvy s SER 117 Cb -0.04 -1.65 0.24 0.00 -1.71 0.00 0.00 66.02 62.86 2nvy s SER 117 CO -0.00 -0.09 0.90 -0.36 1.20 0.00 0.00 173.24 174.89 2nvy s PHE 118 N 1.35 3.99 -1.43 3.44 0.40 0.58 0.44 117.98 126.75 2nvy s PHE 118 Ca 0.02 -2.54 -0.10 0.00 -0.60 0.00 0.00 56.93 53.71 2nvy s PHE 118 Cb -0.16 -3.68 0.01 0.00 0.51 0.00 0.00 43.02 39.70 2nvy s PHE 118 CO -0.05 -0.92 0.27 0.41 0.70 0.00 0.00 175.22 175.63 2nvy n GLY 119 N 3.09 -0.35 1.61 4.36 0.00 -1.26 -0.67 105.19 111.96 2nvy n GLY 119 Ca 0.19 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2nvy n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nvy n GLY 120 N -2.34 2.41 3.65 -0.02 0.00 -1.26 -4.99 105.19 102.63 2nvy n GLY 120 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2nvy n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nvy s LEU 121 N 0.00 4.07 0.16 0.99 1.43 0.15 -5.03 118.68 120.46 2nvy s LEU 121 Ca 0.00 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 2nvy s LEU 121 Cb 0.00 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 2nvy s LEU 121 CO 0.00 -0.62 0.28 -0.76 0.23 0.00 0.00 176.35 175.48 2nvy s LEU 122 N 3.08 4.29 -0.07 1.79 1.43 -1.26 0.22 118.68 128.15 2nvy s LEU 122 Ca 0.39 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2nvy s LEU 122 Cb -0.15 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.25 2nvy s LEU 122 CO 0.08 0.04 0.17 -0.32 0.23 0.00 0.00 176.35 176.55 2nvy s MET 123 N -3.33 0.12 -0.31 1.70 -2.45 0.23 -1.48 119.30 113.77 2nvy s MET 123 Ca 0.34 0.40 -0.02 0.00 -1.25 0.00 0.00 55.69 55.17 2nvy s MET 123 Cb -0.11 -0.15 0.10 0.00 1.25 0.00 0.00 34.83 35.92 2nvy s MET 123 CO 0.28 -0.16 0.12 0.50 1.05 0.00 0.00 175.02 176.81 2nvy s ARG 124 N 1.14 0.58 0.54 4.11 3.52 -0.14 0.16 118.95 128.86 2nvy s ARG 124 Ca -0.09 -0.98 -0.08 0.00 -0.13 0.00 0.00 55.73 54.45 2nvy s ARG 124 Cb -0.11 -1.73 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 2nvy s ARG 124 CO -0.06 -1.02 0.89 -0.51 -0.81 0.00 0.00 175.30 173.79 2nvy s LEU 125 N 1.66 3.47 -0.09 -0.88 1.43 0.72 -3.02 118.68 121.96 2nvy s LEU 125 Ca 0.10 1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 54.33 2nvy s LEU 125 Cb -0.18 -4.16 0.05 0.00 0.03 0.00 0.00 46.19 41.93 2nvy s LEU 125 CO -0.26 -0.69 0.20 -0.70 0.23 0.00 0.00 176.35 175.13 2nvy s GLU 126 N -4.87 0.13 0.00 1.70 2.12 -1.03 0.37 118.70 117.12 2nvy s GLU 126 Ca 0.51 0.51 0.00 0.00 0.36 0.00 0.00 54.97 56.35 2nvy s GLU 126 Cb -0.11 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.13 2nvy s GLU 126 CO 0.48 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 2nvy n GLY 127 N 4.55 1.04 0.00 -1.50 0.00 -1.11 -2.22 105.19 105.95 2nvy n GLY 127 Ca -0.20 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2nvy n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2nvy n ASN 128 N 0.00 0.00 -0.64 1.61 2.85 -1.26 -1.68 115.26 116.14 2nvy n ASN 128 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2nvy n ASN 128 Cb 0.00 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.24 2nvy n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2nvy n TYR 129 N -0.14 0.41 0.75 1.20 0.18 -1.26 -4.17 117.16 114.13 2nvy n TYR 129 Ca 0.00 -0.21 0.10 0.00 1.88 0.00 0.00 57.90 59.68 2nvy n TYR 129 Cb 0.00 0.00 0.28 0.00 -0.38 0.00 0.00 39.34 39.24 2nvy n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2nvy n ARG 130 N 0.50 2.07 -0.17 -3.48 1.74 -1.26 -4.16 116.66 111.89 2nvy n ARG 130 Ca 0.13 -1.63 -0.02 0.00 -0.77 0.00 0.00 57.85 55.57 2nvy n ARG 130 Cb 0.31 -1.43 0.06 0.00 -1.02 0.00 0.00 32.46 30.38 2nvy n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2nvy h ASN 131 N 3.06 -0.38 -0.12 0.55 2.35 -1.92 -0.00 115.58 119.12 2nvy h ASN 131 Ca 0.00 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2nvy h ASN 131 Cb 0.68 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2nvy h ASN 131 CO 0.00 -0.14 0.00 0.18 -1.65 0.00 0.00 177.43 175.82 2nvy n LEU 132 N -5.32 2.74 0.00 1.61 4.77 -1.26 -4.53 117.00 115.00 2nvy n LEU 132 Ca 0.06 -1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 54.85 2nvy n LEU 132 Cb 0.29 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2nvy n LEU 132 CO 0.11 0.52 0.05 0.78 -1.33 0.00 0.00 177.39 177.52 2nvy h ASN 133 N 3.64 -0.09 -2.40 -1.43 2.35 -1.53 -3.49 115.58 112.62 2nvy h ASN 133 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.28 2nvy h ASN 133 Cb 0.80 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 2nvy h ASN 133 CO 0.00 0.33 -0.38 0.20 -1.65 0.00 0.00 177.43 175.93 2nvy s ASN 134 N -5.07 6.32 0.45 5.81 0.01 -0.08 -4.75 114.94 117.64 2nvy s ASN 134 Ca -0.02 0.18 -0.17 0.00 -0.71 0.00 0.00 52.86 52.14 2nvy s ASN 134 Cb 0.00 -1.91 -0.09 0.00 0.41 0.00 0.00 41.25 39.66 2nvy s ASN 134 CO 0.05 -0.11 0.93 -0.76 -1.51 0.00 0.00 177.10 175.70 2nvy s LEU 135 N -3.94 3.80 0.00 0.60 1.43 -1.26 -4.92 118.68 114.39 2nvy s LEU 135 Ca 0.36 1.54 0.22 0.00 -1.03 0.00 0.00 54.13 55.21 2nvy s LEU 135 Cb -0.09 -4.43 0.33 0.00 0.03 0.00 0.00 46.19 42.03 2nvy s LEU 135 CO 0.30 -0.45 1.31 1.17 0.23 0.00 0.00 176.35 178.91 2nvy n LYS 136 N -1.10 2.30 -4.40 1.70 4.81 -1.26 -4.99 118.16 115.22 2nvy n LYS 136 Ca 0.06 -2.10 -0.25 0.00 -0.87 0.00 0.00 58.31 55.16 2nvy n LYS 136 Cb 0.54 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 34.03 2nvy n LYS 136 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2nvy s GLN 137 N -1.51 1.85 0.00 1.64 -0.21 -1.26 -4.80 119.66 115.37 2nvy s GLN 137 Ca 0.33 -1.59 0.00 0.00 0.02 0.00 0.00 55.36 54.12 2nvy s GLN 137 Cb 0.20 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.29 2nvy s GLN 137 CO 0.29 0.36 0.67 -1.91 -2.12 0.00 0.00 175.29 172.58 2nvy n GLU 138 N -0.46 0.00 -1.37 2.91 2.13 -1.26 -3.83 120.64 118.75 2nvy n GLU 138 Ca -0.07 0.62 -0.51 0.00 0.66 0.00 0.00 57.16 57.86 2nvy n GLU 138 Cb 0.59 -1.17 -0.13 0.00 0.27 0.00 0.00 31.44 31.00 2nvy n GLU 138 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2nvy n ASN 139 N -1.61 0.60 -3.05 4.31 3.02 -1.26 -3.66 115.26 113.61 2nvy n ASN 139 Ca 0.00 0.44 0.04 0.00 -0.03 0.00 0.00 54.58 55.03 2nvy n ASN 139 Cb 0.00 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2nvy n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nvy s ALA 140 N 7.40 -3.82 1.07 5.41 0.00 -1.23 -4.86 121.76 125.72 2nvy s ALA 140 Ca 1.27 1.20 -0.13 0.00 0.00 0.00 0.00 51.96 54.30 2nvy s ALA 140 Cb -1.37 -2.85 0.23 0.00 0.00 0.00 0.00 23.12 19.14 2nvy s ALA 140 CO 0.58 -2.19 1.07 0.71 0.00 0.00 0.00 175.76 175.92 2nvy s TYR 141 N 2.56 1.78 -0.07 0.00 1.51 -1.15 -2.70 117.35 119.27 2nvy s TYR 141 Ca 0.21 1.08 0.00 0.00 -1.01 0.00 0.00 57.07 57.35 2nvy s TYR 141 Cb -0.02 -3.19 0.02 0.00 -0.11 0.00 0.00 41.96 38.67 2nvy s TYR 141 CO -0.20 -3.32 -0.05 -1.17 -1.11 0.00 0.00 175.55 169.71 2nvy s LEU 142 N -6.79 1.12 -0.05 -1.29 2.96 0.10 -4.36 118.68 110.37 2nvy s LEU 142 Ca 0.67 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.45 2nvy s LEU 142 Cb -0.21 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 2nvy s LEU 142 CO 0.61 -0.10 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.56 2nvy s LEU 143 N 1.38 2.31 -0.07 -0.68 1.43 0.46 -0.87 118.68 122.65 2nvy s LEU 143 Ca -0.03 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2nvy s LEU 143 Cb -0.13 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.68 2nvy s LEU 143 CO -0.03 0.29 0.03 -0.63 0.23 0.00 0.00 176.35 176.24 2nvy s ILE 144 N -0.41 0.18 -0.19 -0.59 1.01 -0.16 -1.44 121.20 119.60 2nvy s ILE 144 Ca 0.04 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 2nvy s ILE 144 Cb -0.12 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2nvy s ILE 144 CO 0.02 0.18 0.09 0.00 0.00 0.00 0.00 174.94 175.22 2nvy s ARG 145 N 2.05 4.07 0.00 2.79 1.70 -1.11 -1.56 118.95 126.89 2nvy s ARG 145 Ca 0.05 -0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 2nvy s ARG 145 Cb -0.13 -3.31 0.00 0.00 -0.57 0.00 0.00 34.95 30.95 2nvy s ARG 145 CO -0.05 0.28 0.00 0.54 -1.08 0.00 0.00 175.30 175.00