#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvn s SER 7 N 0.00 3.21 0.00 7.83 0.15 -1.26 -5.14 113.70 118.49 2pvn s SER 7 Ca 0.00 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2pvn s SER 7 Cb 0.00 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2pvn s SER 7 CO 0.00 0.14 0.00 2.29 1.20 0.00 0.00 173.24 176.87 2pvn n LYS 8 N 0.74 0.00 -3.53 5.44 2.85 -1.26 -4.61 118.16 117.78 2pvn n LYS 8 Ca -0.17 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.72 2pvn n LYS 8 Cb 0.54 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.86 2pvn n LYS 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2pvn s ALA 9 N -1.57 3.71 -0.37 0.58 0.00 -1.26 -4.90 121.76 117.95 2pvn s ALA 9 Ca 0.00 -0.27 0.21 0.00 0.00 0.00 0.00 51.96 51.90 2pvn s ALA 9 Cb 0.00 -2.35 0.27 0.00 0.00 0.00 0.00 23.12 21.04 2pvn s ALA 9 CO 0.00 0.50 1.57 0.00 0.00 0.00 0.00 175.76 177.83 2pvn h ARG 10 N 4.55 0.00 -4.25 0.00 3.08 -1.97 -3.42 114.38 112.37 2pvn h ARG 10 Ca -0.51 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.40 2pvn h ARG 10 Cb 1.22 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.12 2pvn h ARG 10 CO 0.62 0.12 -0.64 0.14 -1.07 0.00 0.00 179.97 179.14 2pvn s VAL 11 N -3.15 0.18 -1.11 2.04 -7.23 -1.26 -4.87 120.40 105.00 2pvn s VAL 11 Ca 0.06 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2pvn s VAL 11 Cb 0.06 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2pvn s VAL 11 CO 0.69 -0.84 0.00 -1.22 -0.31 0.00 0.00 175.10 173.42 2pvn n TYR 12 N 0.04 -0.72 0.22 2.82 4.01 -1.26 -4.83 117.16 117.43 2pvn n TYR 12 Ca -0.12 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.69 2pvn n TYR 12 Cb 0.62 -2.38 0.49 0.00 -0.31 0.00 0.00 39.34 37.76 2pvn n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pvn h ALA 13 N 0.96 1.35 -0.39 -0.72 0.00 -1.90 -3.18 119.26 115.39 2pvn h ALA 13 Ca -0.23 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 2pvn h ALA 13 Cb 0.84 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 2pvn h ALA 13 CO 0.33 0.33 0.01 -0.40 0.00 0.00 0.00 179.25 179.51 2pvn n ASP 14 N -3.91 2.97 0.26 0.00 3.85 -1.26 -4.30 116.55 114.15 2pvn n ASP 14 Ca -0.02 -3.56 -0.15 0.00 -0.71 0.00 0.00 54.79 50.35 2pvn n ASP 14 Cb 0.34 -0.63 -0.08 0.00 -1.35 0.00 0.00 41.12 39.40 2pvn n ASP 14 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2pvn h VAL 15 N 1.22 0.44 0.00 2.12 2.07 -1.90 -2.69 116.25 117.51 2pvn h VAL 15 Ca 0.20 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2pvn h VAL 15 Cb 1.72 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2pvn h VAL 15 CO 0.41 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.64 2pvn n ASN 16 N -5.29 0.00 0.00 0.57 3.02 -1.26 -3.05 115.26 109.24 2pvn n ASN 16 Ca -0.11 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2pvn n ASN 16 Cb 0.31 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2pvn n ASN 16 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2pvn n VAL 17 N -1.35 0.00 0.00 2.41 0.31 -1.02 -3.95 118.33 114.74 2pvn n VAL 17 Ca 0.03 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2pvn n VAL 17 Cb 0.07 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 2pvn n VAL 17 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2pvn n LEU 18 N -0.61 0.00 -4.78 7.52 4.32 -1.22 -4.53 117.00 117.71 2pvn n LEU 18 Ca 0.00 0.35 -0.39 0.00 -0.02 0.00 0.00 56.01 55.95 2pvn n LEU 18 Cb 0.00 -0.35 -0.06 0.00 -1.62 0.00 0.00 43.42 41.40 2pvn n LEU 18 CO 0.00 -0.35 0.36 -0.13 -1.22 0.00 0.00 177.39 176.05 2pvn s ARG 19 N -2.69 4.37 0.76 3.23 0.52 -1.17 -5.03 118.95 118.93 2pvn s ARG 19 Ca 0.00 0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 55.93 2pvn s ARG 19 Cb 0.00 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 2pvn s ARG 19 CO 0.00 0.47 0.41 -2.30 0.02 0.00 0.00 175.30 173.89 2pvn n PRO 20 N 2.24 0.19 0.12 3.54 -0.02 -1.26 -4.85 135.00 134.96 2pvn n PRO 20 Ca -0.07 0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 2pvn n PRO 20 Cb 0.50 -1.74 0.48 0.00 -0.02 0.00 0.00 33.50 32.72 2pvn n PRO 20 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2pvn h LYS 21 N -0.54 0.27 -0.21 -0.52 3.64 -1.91 -2.42 116.57 114.88 2pvn h LYS 21 Ca -0.45 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2pvn h LYS 21 Cb 1.34 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2pvn h LYS 21 CO 0.40 0.25 0.19 1.05 -2.27 0.00 0.00 179.45 179.08 2pvn h GLU 22 N 0.27 0.00 -0.36 1.90 9.09 -1.89 0.82 114.58 124.40 2pvn h GLU 22 Ca 0.07 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.42 2pvn h GLU 22 Cb 0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2pvn h GLU 22 CO -0.00 0.00 -0.02 -0.92 0.05 0.00 0.00 179.01 178.12 2pvn h TYR 23 N 0.00 0.72 0.00 2.06 3.20 -1.77 -3.35 116.97 117.83 2pvn h TYR 23 Ca 0.10 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2pvn h TYR 23 Cb 0.48 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2pvn h TYR 23 CO 0.00 0.77 -0.93 -2.67 -1.64 0.00 0.00 178.16 173.68 2pvn n TRP 24 N -4.47 0.00 -1.22 -3.82 4.27 -0.86 -4.68 117.44 106.66 2pvn n TRP 24 Ca -0.02 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.24 2pvn n TRP 24 Cb 0.29 -0.10 -0.02 0.00 -1.36 0.00 0.00 31.31 30.12 2pvn n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 2pvn n ASP 25 N -1.52 6.88 0.28 -0.67 2.03 0.28 -4.70 116.55 119.13 2pvn n ASP 25 Ca 0.01 -2.55 0.12 0.00 0.52 0.00 0.00 54.79 52.89 2pvn n ASP 25 Cb 0.24 -1.44 0.65 0.00 -0.72 0.00 0.00 41.12 39.86 2pvn n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2pvn h TYR 26 N 5.60 0.00 0.00 -0.67 -0.00 -1.83 -0.84 116.97 119.23 2pvn h TYR 26 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.45 2pvn h TYR 26 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.05 2pvn h TYR 26 CO 1.82 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 180.37 2pvn n GLU 27 N -2.62 0.25 -0.16 0.10 1.02 -1.26 -2.64 120.64 115.33 2pvn n GLU 27 Ca -0.02 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.51 2pvn n GLU 27 Cb 0.38 -1.84 0.28 0.00 -0.02 0.00 0.00 31.44 30.23 2pvn n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pvn n ALA 28 N -1.79 2.46 -1.77 0.62 0.00 -0.32 -4.93 120.51 114.78 2pvn n ALA 28 Ca 0.04 -0.74 -0.36 0.00 0.00 0.00 0.00 53.44 52.39 2pvn n ALA 28 Cb 0.37 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 2pvn n ALA 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pvn s LEU 29 N -1.35 3.90 -0.29 0.00 2.96 -1.08 -5.02 118.68 117.80 2pvn s LEU 29 Ca 0.33 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.51 2pvn s LEU 29 Cb 0.18 -4.39 0.08 0.00 0.50 0.00 0.00 46.19 42.57 2pvn s LEU 29 CO 0.26 -1.05 0.03 -0.89 -1.32 0.00 0.00 176.35 173.38 2pvn s THR 30 N -1.64 1.52 0.06 3.68 2.01 -1.26 -5.10 115.64 114.92 2pvn s THR 30 Ca 0.68 -1.60 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 2pvn s THR 30 Cb -0.27 -2.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.15 2pvn s THR 30 CO 0.31 -0.44 1.74 -0.69 -0.69 0.00 0.00 174.62 174.86 2pvn s VAL 31 N 1.33 2.97 -0.58 3.82 1.01 -1.26 -4.96 120.40 122.74 2pvn s VAL 31 Ca 0.04 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2pvn s VAL 31 Cb -0.18 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.12 2pvn s VAL 31 CO -0.13 -0.01 0.52 -1.10 0.00 0.00 0.00 175.10 174.39 2pvn s GLN 32 N 3.09 3.03 0.22 2.72 -1.52 -1.26 -5.05 119.66 120.88 2pvn s GLN 32 Ca 0.78 -1.83 -0.30 0.00 -1.95 0.00 0.00 55.36 52.06 2pvn s GLN 32 Cb -0.41 -4.28 -0.09 0.00 -0.22 0.00 0.00 33.01 28.02 2pvn s GLN 32 CO 0.34 -1.31 1.17 -1.58 -0.25 0.00 0.00 175.29 173.67 2pvn s TRP 33 N 1.35 3.45 0.00 0.91 0.52 -1.26 -4.73 118.94 119.19 2pvn s TRP 33 Ca 0.06 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.68 2pvn s TRP 33 Cb -0.27 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 2pvn s TRP 33 CO 0.01 -1.04 0.00 0.41 0.02 0.00 0.00 176.95 176.35 2pvn n GLY 34 N 1.84 0.80 3.61 0.98 0.00 0.76 -5.00 105.19 108.18 2pvn n GLY 34 Ca 0.03 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 2pvn n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pvn s GLU 35 N -0.91 4.01 0.29 1.61 -6.30 -1.26 -4.66 118.70 111.48 2pvn s GLU 35 Ca 0.00 -0.03 0.03 0.00 -2.50 0.00 0.00 54.97 52.47 2pvn s GLU 35 Cb 0.00 -3.65 0.64 0.00 0.00 0.00 0.00 34.13 31.12 2pvn s GLU 35 CO 0.00 -0.24 1.80 0.37 0.02 0.00 0.00 175.26 177.21 2pvn h GLN 36 N 8.16 0.84 -0.75 4.30 4.15 -1.94 -2.43 115.11 127.45 2pvn h GLN 36 Ca -0.33 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.09 2pvn h GLN 36 Cb 1.17 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 2pvn h GLN 36 CO 0.63 0.56 0.49 -0.44 -1.93 0.00 0.00 178.83 178.14 2pvn h ASP 37 N 0.87 0.74 0.00 -0.69 3.32 -1.94 -2.73 116.42 115.99 2pvn h ASP 37 Ca 0.53 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2pvn h ASP 37 Cb 0.68 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2pvn h ASP 37 CO -0.32 0.49 0.56 0.44 -1.72 0.00 0.00 179.24 178.69 2pvn h ASP 38 N 0.85 0.00 -3.43 6.45 3.32 -1.82 -3.38 116.42 118.41 2pvn h ASP 38 Ca 0.31 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.85 2pvn h ASP 38 Cb 0.16 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.37 2pvn h ASP 38 CO -0.10 0.00 -0.81 -0.31 -1.72 0.00 0.00 179.24 176.30 2pvn s TYR 39 N -3.28 1.42 -0.03 4.55 2.02 -1.03 0.35 117.35 121.36 2pvn s TYR 39 Ca -0.01 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.25 2pvn s TYR 39 Cb 0.02 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.52 2pvn s TYR 39 CO 0.07 -0.27 -0.25 -1.21 -1.57 0.00 0.00 175.55 172.32 2pvn s GLU 40 N 0.66 2.24 -0.17 -0.62 2.02 -0.38 -4.93 118.70 117.53 2pvn s GLU 40 Ca -0.14 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.65 2pvn s GLU 40 Cb -0.16 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 2pvn s GLU 40 CO 0.04 0.53 1.46 0.08 0.02 0.00 0.00 175.26 177.38 2pvn s VAL 41 N -0.52 3.93 -0.11 2.63 1.01 -1.26 -1.26 120.40 124.83 2pvn s VAL 41 Ca 0.07 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.10 2pvn s VAL 41 Cb -0.11 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2pvn s VAL 41 CO 0.00 -0.20 -0.11 0.58 0.00 0.00 0.00 175.10 175.38 2pvn h VAL 42 N 5.73 0.00 -2.75 2.92 2.07 -1.14 -3.48 116.25 119.60 2pvn h VAL 42 Ca -0.32 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 2pvn h VAL 42 Cb 1.13 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.74 2pvn h VAL 42 CO 0.98 0.00 0.01 0.00 0.02 0.00 0.00 177.57 178.58 2pvn s ARG 43 N -1.87 0.99 0.47 1.57 1.70 -1.08 -4.98 118.95 115.76 2pvn s ARG 43 Ca -0.09 -0.20 -0.21 0.00 -0.47 0.00 0.00 55.73 54.77 2pvn s ARG 43 Cb 0.01 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 2pvn s ARG 43 CO 0.13 -0.34 1.07 0.21 -1.08 0.00 0.00 175.30 175.28 2pvn s LYS 44 N -2.22 3.81 0.00 3.89 2.20 -1.26 0.32 119.74 126.48 2pvn s LYS 44 Ca -0.07 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 2pvn s LYS 44 Cb -0.01 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 2pvn s LYS 44 CO 0.00 -0.44 0.00 1.33 -0.36 0.00 0.00 175.35 175.88 2pvn n VAL 45 N -0.76 0.00 -3.83 4.02 0.24 0.35 -4.79 118.33 113.56 2pvn n VAL 45 Ca 0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.32 2pvn n VAL 45 Cb 0.51 0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 2pvn n VAL 45 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2pvn s GLY 46 N -0.30 -0.10 -0.05 7.63 0.00 -0.88 -5.01 107.32 108.61 2pvn s GLY 46 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 44.72 44.20 2pvn s GLY 46 CO 0.00 -0.04 0.69 1.09 0.00 0.00 0.00 173.10 174.84 2pvn s ARG 47 N -3.64 1.05 0.34 2.90 1.04 -1.26 0.30 118.95 119.68 2pvn s ARG 47 Ca 0.12 0.23 0.05 0.00 -1.04 0.00 0.00 55.73 55.09 2pvn s ARG 47 Cb -0.05 0.50 -0.02 0.00 -2.04 0.00 0.00 34.95 33.34 2pvn s ARG 47 CO 0.06 -0.33 0.17 0.41 -0.04 0.00 0.00 175.30 175.57 2pvn n GLY 48 N 0.86 3.22 0.00 3.88 0.00 0.23 -4.99 105.19 108.39 2pvn n GLY 48 Ca -0.19 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 43.94 2pvn n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pvn n LYS 49 N -0.73 0.28 0.00 1.61 2.85 -1.26 -3.19 118.16 117.72 2pvn n LYS 49 Ca -0.01 0.05 0.05 0.00 -1.05 0.00 0.00 58.31 57.35 2pvn n LYS 49 Cb 0.55 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.44 2pvn n LYS 49 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pvn n TYR 50 N -1.33 0.00 -3.93 5.58 4.01 -1.26 -4.98 117.16 115.25 2pvn n TYR 50 Ca 0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.88 2pvn n TYR 50 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 2pvn n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2pvn s SER 51 N -1.13 -0.00 0.02 7.72 1.04 -1.19 -1.88 113.70 118.27 2pvn s SER 51 Ca 0.09 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.46 2pvn s SER 51 Cb 0.08 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 2pvn s SER 51 CO 0.20 -0.21 -0.22 -1.61 0.98 0.00 0.00 173.24 172.37 2pvn s GLU 52 N -2.06 1.59 -0.09 4.02 2.02 -0.81 -0.60 118.70 122.77 2pvn s GLU 52 Ca 0.27 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.38 2pvn s GLU 52 Cb 0.01 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.57 2pvn s GLU 52 CO -0.02 0.44 -0.21 0.08 0.02 0.00 0.00 175.26 175.57 2pvn s VAL 53 N -0.71 1.83 0.10 2.63 1.01 0.15 -1.08 120.40 124.33 2pvn s VAL 53 Ca 0.09 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2pvn s VAL 53 Cb -0.09 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2pvn s VAL 53 CO 0.01 0.51 -0.15 -0.36 0.00 0.00 0.00 175.10 175.11 2pvn s PHE 54 N 0.38 1.40 0.23 5.22 0.40 -0.34 -0.49 117.98 124.78 2pvn s PHE 54 Ca -0.17 -0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 55.39 2pvn s PHE 54 Cb -0.17 -0.76 -0.09 0.00 0.51 0.00 0.00 43.02 42.51 2pvn s PHE 54 CO 0.07 0.12 0.90 -2.00 0.70 0.00 0.00 175.22 175.01 2pvn s GLU 55 N -2.14 4.74 0.21 0.44 2.12 0.15 -0.73 118.70 123.50 2pvn s GLU 55 Ca 0.04 1.38 0.03 0.00 0.36 0.00 0.00 54.97 56.78 2pvn s GLU 55 Cb -0.08 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 2pvn s GLU 55 CO 0.03 0.50 0.11 0.41 -0.54 0.00 0.00 175.26 175.77 2pvn n GLY 56 N 1.38 3.55 2.81 -1.50 0.00 0.27 -0.57 105.19 111.13 2pvn n GLY 56 Ca -0.02 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 2pvn n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pvn s ILE 57 N -2.52 -0.05 -0.63 -0.61 2.07 -0.39 -1.54 121.20 117.54 2pvn s ILE 57 Ca 0.15 0.17 -0.28 0.00 -1.41 0.00 0.00 60.65 59.29 2pvn s ILE 57 Cb 0.01 -0.09 0.02 0.00 0.13 0.00 0.00 42.46 42.53 2pvn s ILE 57 CO 0.11 0.07 1.30 0.21 -1.91 0.00 0.00 174.94 174.71 2pvn s ASN 58 N 0.88 6.24 0.52 4.50 3.04 -0.53 -1.25 114.94 128.34 2pvn s ASN 58 Ca -0.07 -0.02 0.37 0.00 0.04 0.00 0.00 52.86 53.18 2pvn s ASN 58 Cb -0.10 -2.55 1.54 0.00 -1.54 0.00 0.00 41.25 38.59 2pvn s ASN 58 CO -0.03 -1.68 1.73 -0.37 -3.04 0.00 0.00 177.10 173.71 2pvn h VAL 59 N 6.19 0.30 0.00 -5.21 -1.51 -0.38 0.40 116.25 116.05 2pvn h VAL 59 Ca -0.26 -0.02 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2pvn h VAL 59 Cb 1.07 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2pvn h VAL 59 CO 1.22 0.01 -0.00 0.78 -1.23 0.00 0.00 177.57 178.34 2pvn h ASN 60 N 0.05 -0.00 0.27 4.19 4.21 -1.91 -3.36 115.58 119.03 2pvn h ASN 60 Ca 0.68 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.19 2pvn h ASN 60 Cb 2.57 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.77 2pvn h ASN 60 CO -0.08 -0.00 0.00 -0.46 -1.29 0.00 0.00 177.43 175.60 2pvn n ASN 61 N -2.03 0.00 -1.13 5.81 0.23 -1.07 -4.90 115.26 112.17 2pvn n ASN 61 Ca -0.00 -0.52 -0.14 0.00 -0.53 0.00 0.00 54.58 53.39 2pvn n ASN 61 Cb 0.00 -0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 37.50 2pvn n ASN 61 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2pvn n ASN 62 N -1.14 -5.32 -4.88 0.53 3.02 0.14 -4.95 115.26 102.66 2pvn n ASN 62 Ca 0.18 0.35 -0.33 0.00 -0.03 0.00 0.00 54.58 54.75 2pvn n ASN 62 Cb 0.16 -4.25 -0.05 0.00 -0.61 0.00 0.00 39.78 35.03 2pvn n ASN 62 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2pvn s GLU 63 N -3.17 3.76 0.69 3.52 2.02 -1.25 -4.81 118.70 119.46 2pvn s GLU 63 Ca 0.00 0.16 -0.16 0.00 0.02 0.00 0.00 54.97 55.00 2pvn s GLU 63 Cb 0.00 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2pvn s GLU 63 CO 0.00 0.45 1.19 0.15 0.02 0.00 0.00 175.26 177.08 2pvn s LYS 64 N -2.40 2.39 0.27 1.61 1.02 -1.26 -1.45 119.74 119.93 2pvn s LYS 64 Ca 0.40 1.72 -0.17 0.00 0.02 0.00 0.00 55.97 57.94 2pvn s LYS 64 Cb -0.13 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2pvn s LYS 64 CO 0.21 -1.63 0.63 0.00 -0.92 0.00 0.00 175.35 173.64 2pvn s ILE 66 N -3.88 2.27 -0.28 0.00 -1.09 0.10 0.96 121.20 119.29 2pvn s ILE 66 Ca 0.16 -0.89 -0.09 0.00 -2.23 0.00 0.00 60.65 57.60 2pvn s ILE 66 Cb -0.04 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 2pvn s ILE 66 CO 0.08 0.53 0.13 -0.63 -1.23 0.00 0.00 174.94 173.82 2pvn s ILE 67 N 1.04 4.64 -0.46 2.92 1.01 0.09 -0.37 121.20 130.06 2pvn s ILE 67 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 2pvn s ILE 67 Cb -0.14 -3.25 0.11 0.00 0.01 0.00 0.00 42.46 39.18 2pvn s ILE 67 CO -0.06 0.22 0.34 -0.75 0.00 0.00 0.00 174.94 174.69 2pvn s LYS 68 N 1.65 2.56 -0.42 2.79 2.20 -0.69 -1.20 119.74 126.63 2pvn s LYS 68 Ca 0.06 -1.68 -0.25 0.00 -0.36 0.00 0.00 55.97 53.74 2pvn s LYS 68 Cb -0.16 -3.93 0.02 0.00 -1.51 0.00 0.00 37.83 32.25 2pvn s LYS 68 CO 0.06 -1.14 0.90 0.42 -0.36 0.00 0.00 175.35 175.23 2pvn s ILE 69 N 1.40 4.55 0.51 5.43 1.01 -0.24 -1.59 121.20 132.28 2pvn s ILE 69 Ca 0.05 0.90 -0.20 0.00 0.00 0.00 0.00 60.65 61.40 2pvn s ILE 69 Cb -0.26 -4.36 -0.07 0.00 0.01 0.00 0.00 42.46 37.78 2pvn s ILE 69 CO 0.00 -0.67 1.08 -0.76 0.00 0.00 0.00 174.94 174.59 2pvn s LEU 70 N 3.55 3.80 0.32 2.97 1.43 -0.68 -1.93 118.68 128.13 2pvn s LEU 70 Ca 0.36 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 2pvn s LEU 70 Cb -0.11 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.52 2pvn s LEU 70 CO 0.22 -0.98 0.46 -0.54 0.23 0.00 0.00 176.35 175.74 2pvn s LYS 71 N -3.26 3.23 -0.88 1.70 1.02 -0.79 -4.63 119.74 116.12 2pvn s LYS 71 Ca 0.70 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 55.61 2pvn s LYS 71 Cb -0.20 -2.81 -0.22 0.00 -0.52 0.00 0.00 37.83 34.08 2pvn s LYS 71 CO 0.23 0.15 2.23 -2.30 -0.92 0.00 0.00 175.35 174.74 2pvn n PRO 72 N -1.62 0.00 -4.67 -1.68 -0.02 -1.26 -4.87 135.00 120.88 2pvn n PRO 72 Ca -0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.14 2pvn n PRO 72 Cb 0.58 -1.19 -0.12 0.00 -0.02 0.00 0.00 33.50 32.74 2pvn n PRO 72 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pvn s VAL 73 N 5.60 2.99 0.60 -1.45 0.11 -1.26 -5.09 120.40 121.90 2pvn s VAL 73 Ca 1.19 -1.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.02 2pvn s VAL 73 Cb -1.00 -2.25 -0.03 0.00 -1.53 0.00 0.00 36.38 31.57 2pvn s VAL 73 CO 0.45 0.39 1.27 -0.54 -3.33 0.00 0.00 175.10 173.34 2pvn s LYS 74 N -1.31 2.84 0.33 1.54 -0.14 -1.26 -4.89 119.74 116.85 2pvn s LYS 74 Ca 0.15 2.00 0.06 0.00 -1.36 0.00 0.00 55.97 56.82 2pvn s LYS 74 Cb -0.11 -1.96 0.60 0.00 -1.68 0.00 0.00 37.83 34.68 2pvn s LYS 74 CO 0.05 -1.35 1.82 -0.22 -0.76 0.00 0.00 175.35 174.89 2pvn h LYS 75 N 0.87 0.35 -0.23 1.68 3.11 -1.99 -2.79 116.57 117.56 2pvn h LYS 75 Ca -0.51 -0.10 -0.01 0.00 -2.81 0.00 0.00 60.65 57.22 2pvn h LYS 75 Cb 1.31 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 2pvn h LYS 75 CO 0.55 0.53 0.11 -0.22 -2.81 0.00 0.00 179.45 177.61 2pvn h LYS 76 N 0.32 0.34 -0.37 1.90 3.64 -1.99 -2.29 116.57 118.12 2pvn h LYS 76 Ca 0.06 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2pvn h LYS 76 Cb 0.52 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2pvn h LYS 76 CO 0.03 0.35 0.11 -0.22 -2.27 0.00 0.00 179.45 177.46 2pvn h LYS 77 N 0.24 0.24 0.00 1.90 3.64 -1.89 -2.25 116.57 118.45 2pvn h LYS 77 Ca 0.08 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2pvn h LYS 77 Cb 0.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2pvn h LYS 77 CO -0.01 0.16 -0.20 0.97 -2.27 0.00 0.00 179.45 178.10 2pvn h ILE 78 N 0.25 0.82 0.00 2.00 2.10 -1.35 -1.66 117.51 119.68 2pvn h ILE 78 Ca 0.17 -0.79 -0.05 0.00 1.08 0.00 0.00 64.86 65.28 2pvn h ILE 78 Cb 0.17 1.47 -0.01 0.00 -1.09 0.00 0.00 36.82 37.36 2pvn h ILE 78 CO -0.19 0.20 -0.22 0.11 -1.08 0.00 0.00 178.15 176.97 2pvn h LYS 79 N 0.00 0.00 0.03 2.19 1.57 -0.85 -2.59 116.57 116.93 2pvn h LYS 79 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pvn h LYS 79 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2pvn h LYS 79 CO 0.03 0.22 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.02 2pvn h ARG 80 N 0.00 -0.04 -0.41 3.15 2.43 -0.86 -0.33 114.38 118.31 2pvn h ARG 80 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pvn h ARG 80 Cb 1.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2pvn h ARG 80 CO 0.03 0.58 0.25 1.49 -1.51 0.00 0.00 179.97 180.80 2pvn h GLU 81 N -0.72 0.55 0.03 0.20 4.81 -1.51 -1.62 114.58 116.33 2pvn h GLU 81 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2pvn h GLU 81 Cb 0.64 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2pvn h GLU 81 CO 0.01 0.39 -0.02 0.82 -0.73 0.00 0.00 179.01 179.48 2pvn h ILE 82 N 0.56 1.40 -0.59 2.32 2.04 -1.47 -2.65 117.51 119.13 2pvn h ILE 82 Ca 0.15 -1.66 0.06 0.00 1.00 0.00 0.00 64.86 64.41 2pvn h ILE 82 Cb -0.02 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 2pvn h ILE 82 CO -0.03 0.41 0.29 0.50 0.00 0.00 0.00 178.15 179.32 2pvn h LYS 83 N -0.81 0.53 -0.18 2.37 1.63 -0.92 0.98 116.57 120.17 2pvn h LYS 83 Ca -0.00 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2pvn h LYS 83 Cb 0.70 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2pvn h LYS 83 CO 0.01 0.35 0.10 0.82 -3.45 0.00 0.00 179.45 177.28 2pvn h ILE 84 N 0.55 1.09 -0.47 2.00 2.04 -1.41 -0.32 117.51 120.99 2pvn h ILE 84 Ca 0.27 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.97 2pvn h ILE 84 Cb 0.21 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 2pvn h ILE 84 CO -0.20 0.08 0.11 -0.07 0.00 0.00 0.00 178.15 178.08 2pvn h LEU 85 N 0.20 0.05 -1.35 1.44 3.38 -0.96 -0.59 115.31 117.49 2pvn h LEU 85 Ca 0.06 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2pvn h LEU 85 Cb 0.04 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2pvn h LEU 85 CO -0.01 0.06 0.11 1.56 0.09 0.00 0.00 178.44 180.24 2pvn h GLN 86 N 0.26 0.54 0.00 1.13 4.20 -0.45 -2.42 115.11 118.38 2pvn h GLN 86 Ca 0.23 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2pvn h GLN 86 Cb 0.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2pvn h GLN 86 CO -0.28 0.49 -0.29 -0.91 -0.67 0.00 0.00 178.83 177.17 2pvn h ASN 87 N 0.54 0.00 -3.66 1.46 2.35 0.43 -3.49 115.58 113.21 2pvn h ASN 87 Ca 0.13 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.25 2pvn h ASN 87 Cb 0.18 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.39 2pvn h ASN 87 CO -0.01 0.29 -0.54 -0.76 -1.65 0.00 0.00 177.43 174.77 2pvn s LEU 88 N -7.08 3.93 0.00 1.61 1.43 -0.58 -5.01 118.68 112.98 2pvn s LEU 88 Ca -0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2pvn s LEU 88 Cb 0.11 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2pvn s LEU 88 CO 0.66 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.87 2pvn n GLY 90 N 4.56 0.00 3.79 -3.19 0.00 -1.26 -4.84 105.19 104.25 2pvn n GLY 90 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2pvn n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pvn s GLY 91 N 0.00 2.52 -0.18 -0.02 0.00 -1.26 -4.90 107.32 103.48 2pvn s GLY 91 Ca 0.00 0.63 -0.38 0.00 0.00 0.00 0.00 44.72 44.97 2pvn s GLY 91 CO 0.00 0.95 1.71 -1.05 0.00 0.00 0.00 173.10 174.72 2pvn n PRO 92 N -1.00 1.39 -2.00 2.90 -0.02 -1.26 -1.56 135.00 133.44 2pvn n PRO 92 Ca 0.10 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2pvn n PRO 92 Cb 0.52 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2pvn n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pvn n ASN 93 N 5.19 -3.98 -4.60 2.55 3.02 -1.26 -3.69 115.26 112.50 2pvn n ASN 93 Ca 0.24 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.63 2pvn n ASN 93 Cb 0.17 -3.49 -0.08 0.00 -0.61 0.00 0.00 39.78 35.77 2pvn n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pvn s ILE 94 N -2.47 5.09 0.14 2.41 -1.09 -0.60 -0.35 121.20 124.32 2pvn s ILE 94 Ca 0.00 0.66 -0.34 0.00 -2.23 0.00 0.00 60.65 58.74 2pvn s ILE 94 Cb 0.00 -3.82 -0.16 0.00 -1.58 0.00 0.00 42.46 36.90 2pvn s ILE 94 CO 0.00 0.04 1.28 0.55 -1.23 0.00 0.00 174.94 175.57 2pvn n VAL 95 N 5.21 0.45 -3.02 2.92 3.14 -1.08 -4.70 118.33 121.26 2pvn n VAL 95 Ca -0.06 -0.11 -0.40 0.00 -2.96 0.00 0.00 64.34 60.81 2pvn n VAL 95 Cb 0.50 -0.90 -0.05 0.00 -1.06 0.00 0.00 33.84 32.33 2pvn n VAL 95 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2pvn s LYS 96 N 0.07 4.43 -0.30 1.45 1.02 -1.26 -4.96 119.74 120.20 2pvn s LYS 96 Ca 0.78 0.91 -0.22 0.00 0.02 0.00 0.00 55.97 57.46 2pvn s LYS 96 Cb -0.88 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 32.97 2pvn s LYS 96 CO 0.49 0.03 0.71 -1.17 -0.92 0.00 0.00 175.35 174.49 2pvn s LEU 97 N 0.90 4.11 -0.16 3.17 2.96 -1.26 -1.79 118.68 126.61 2pvn s LEU 97 Ca 0.38 0.59 -0.20 0.00 -0.22 0.00 0.00 54.13 54.68 2pvn s LEU 97 Cb -0.18 -2.96 -0.23 0.00 0.50 0.00 0.00 46.19 43.33 2pvn s LEU 97 CO 0.18 -0.53 0.41 -0.07 -1.32 0.00 0.00 176.35 175.02 2pvn h LEU 98 N 9.28 0.14 -7.40 -0.68 3.38 0.63 -3.49 115.31 117.17 2pvn h LEU 98 Ca -0.25 -0.72 -0.05 0.00 0.09 0.00 0.00 57.88 56.95 2pvn h LEU 98 Cb 1.11 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.68 2pvn h LEU 98 CO 0.84 1.48 -0.06 -0.62 0.09 0.00 0.00 178.44 180.17 2pvn s ASP 99 N -6.82 -0.25 -0.16 -0.43 -1.08 -0.80 -4.96 116.67 102.17 2pvn s ASP 99 Ca -0.24 -0.32 -0.00 0.00 -0.52 0.00 0.00 52.55 51.47 2pvn s ASP 99 Cb 0.04 0.48 0.04 0.00 -1.46 0.00 0.00 42.92 42.02 2pvn s ASP 99 CO 0.67 -0.87 -0.08 -0.63 0.52 0.00 0.00 175.17 174.78 2pvn s ILE 100 N -3.81 1.29 0.29 4.11 1.01 -1.26 0.12 121.20 122.95 2pvn s ILE 100 Ca 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2pvn s ILE 100 Cb 0.02 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 2pvn s ILE 100 CO -0.11 0.24 0.08 0.68 0.00 0.00 0.00 174.94 175.83 2pvn s VAL 101 N 1.57 0.78 0.07 2.92 -7.23 -0.48 -0.17 120.40 117.87 2pvn s VAL 101 Ca 0.02 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.11 2pvn s VAL 101 Cb -0.15 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 2pvn s VAL 101 CO -0.08 0.00 0.15 0.00 -0.31 0.00 0.00 175.10 174.85 2pvn s ARG 102 N -3.97 0.76 -0.25 4.82 1.70 -1.26 -0.30 118.95 120.46 2pvn s ARG 102 Ca 0.37 -0.93 -0.18 0.00 -0.47 0.00 0.00 55.73 54.52 2pvn s ARG 102 Cb 0.08 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 2pvn s ARG 102 CO 0.14 -0.22 0.53 0.34 -1.08 0.00 0.00 175.30 175.01 2pvn s ASP 103 N -2.68 6.48 0.21 -2.89 2.15 0.95 -4.62 116.67 116.27 2pvn s ASP 103 Ca 0.03 0.58 -0.10 0.00 0.43 0.00 0.00 52.55 53.49 2pvn s ASP 103 Cb 0.04 -2.29 0.30 0.00 -0.30 0.00 0.00 42.92 40.67 2pvn s ASP 103 CO -0.09 -0.28 1.70 0.06 -0.17 0.00 0.00 175.17 176.39 2pvn h GLN 104 N 7.89 0.25 0.46 4.34 3.07 -1.94 1.46 115.11 130.62 2pvn h GLN 104 Ca -0.30 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.41 2pvn h GLN 104 Cb 1.14 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.65 2pvn h GLN 104 CO 0.73 0.16 -0.22 1.25 0.09 0.00 0.00 178.83 180.84 2pvn h HIS 105 N 0.25 -0.57 0.00 0.06 2.76 -1.99 -3.33 115.15 112.33 2pvn h HIS 105 Ca 0.32 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2pvn h HIS 105 Cb 0.47 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2pvn h HIS 105 CO -0.25 -0.35 -0.23 0.66 -1.30 0.00 0.00 177.93 176.45 2pvn h SER 106 N -0.77 0.00 -0.29 3.26 4.64 -1.99 -3.47 113.55 114.93 2pvn h SER 106 Ca -0.06 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 2pvn h SER 106 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 2pvn h SER 106 CO 0.10 0.01 -0.11 0.29 -0.87 0.00 0.00 176.83 176.25 2pvn n LYS 107 N -2.75 -0.60 -1.83 4.77 4.76 0.50 -4.96 118.16 118.05 2pvn n LYS 107 Ca 0.04 0.64 -0.42 0.00 -2.87 0.00 0.00 58.31 55.70 2pvn n LYS 107 Cb 0.50 -4.42 -0.03 0.00 -1.84 0.00 0.00 35.03 29.24 2pvn n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2pvn s THR 108 N -2.14 2.76 0.16 -0.18 2.01 -1.22 -4.55 115.64 112.49 2pvn s THR 108 Ca 0.00 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.25 2pvn s THR 108 Cb 0.00 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2pvn s THR 108 CO 0.00 0.00 0.36 -2.16 -0.69 0.00 0.00 174.62 172.13 2pvn s PRO 109 N 2.57 3.54 -0.02 4.92 0.04 -1.26 -0.03 135.00 144.76 2pvn s PRO 109 Ca 0.77 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2pvn s PRO 109 Cb -0.43 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2pvn s PRO 109 CO 0.34 0.45 -0.00 -1.12 0.04 0.00 0.00 177.00 176.71 2pvn s SER 110 N -2.82 0.32 -0.22 6.66 0.01 0.59 -1.69 113.70 116.55 2pvn s SER 110 Ca 0.39 -0.02 -0.09 0.00 1.31 0.00 0.00 55.95 57.53 2pvn s SER 110 Cb -0.12 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 2pvn s SER 110 CO 0.27 -0.07 0.13 -0.76 0.41 0.00 0.00 173.24 173.22 2pvn s LEU 111 N 0.72 4.02 -0.21 2.44 1.43 -0.62 -1.38 118.68 125.08 2pvn s LEU 111 Ca -0.07 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 2pvn s LEU 111 Cb -0.10 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2pvn s LEU 111 CO -0.01 0.11 0.41 -0.63 0.23 0.00 0.00 176.35 176.45 2pvn s ILE 112 N 0.80 5.19 0.23 -0.59 -1.09 0.32 -1.71 121.20 124.35 2pvn s ILE 112 Ca 0.07 0.71 0.11 0.00 -2.23 0.00 0.00 60.65 59.31 2pvn s ILE 112 Cb -0.13 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2pvn s ILE 112 CO 0.02 0.23 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.39 2pvn s PHE 113 N 1.44 2.20 0.79 3.97 0.08 0.50 0.12 117.98 127.08 2pvn s PHE 113 Ca 0.19 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.72 2pvn s PHE 113 Cb -0.15 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.31 2pvn s PHE 113 CO 0.08 0.56 0.88 -0.85 -0.10 0.00 0.00 175.22 175.79 2pvn n GLU 114 N -0.13 0.20 -3.78 0.44 0.28 -0.74 0.03 120.64 116.94 2pvn n GLU 114 Ca -0.09 0.13 -0.37 0.00 -0.16 0.00 0.00 57.16 56.67 2pvn n GLU 114 Cb 0.58 -2.16 -0.07 0.00 1.43 0.00 0.00 31.44 31.22 2pvn n GLU 114 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2pvn s TYR 115 N -2.06 3.56 -0.11 -1.84 5.04 -1.26 -4.14 117.35 116.54 2pvn s TYR 115 Ca 0.69 0.54 -0.00 0.00 -2.44 0.00 0.00 57.07 55.86 2pvn s TYR 115 Cb -0.30 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 39.97 2pvn s TYR 115 CO 0.55 0.59 -0.08 0.08 -1.34 0.00 0.00 175.55 175.35 2pvn s VAL 116 N -0.59 1.02 -1.27 3.14 1.01 -1.26 -4.98 120.40 117.47 2pvn s VAL 116 Ca 0.14 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 2pvn s VAL 116 Cb -0.12 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.25 2pvn s VAL 116 CO 0.04 0.37 1.79 0.21 0.00 0.00 0.00 175.10 177.50 2pvn s ASN 117 N 1.66 6.37 0.30 3.32 3.04 -1.26 -4.92 114.94 123.44 2pvn s ASN 117 Ca 0.04 -2.23 -0.28 0.00 0.04 0.00 0.00 52.86 50.43 2pvn s ASN 117 Cb -0.13 -2.58 -0.09 0.00 -1.54 0.00 0.00 41.25 36.91 2pvn s ASN 117 CO -0.08 -1.67 0.98 0.21 -3.04 0.00 0.00 177.10 173.51 2pvn s ASN 118 N 4.83 7.35 -0.26 -4.21 2.47 -1.26 -4.12 114.94 119.73 2pvn s ASN 118 Ca 0.58 1.98 -0.09 0.00 0.42 0.00 0.00 52.86 55.75 2pvn s ASN 118 Cb 0.03 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 2pvn s ASN 118 CO 0.09 -0.06 0.12 -0.89 -3.72 0.00 0.00 177.10 172.63 2pvn s THR 119 N -1.40 4.69 0.08 -5.21 2.01 -0.96 -4.96 115.64 109.89 2pvn s THR 119 Ca 0.47 -0.05 -0.33 0.00 0.31 0.00 0.00 61.69 62.09 2pvn s THR 119 Cb -0.24 -3.21 -0.18 0.00 0.01 0.00 0.00 72.50 68.88 2pvn s THR 119 CO 0.30 0.30 0.80 -0.67 -0.69 0.00 0.00 174.62 174.66 2pvn n ASP 120 N 4.98 -0.49 0.03 3.53 2.03 -1.26 -4.53 116.55 120.84 2pvn n ASP 120 Ca -0.15 1.08 -0.02 0.00 0.52 0.00 0.00 54.79 56.22 2pvn n ASP 120 Cb 0.52 -0.88 0.25 0.00 -0.72 0.00 0.00 41.12 40.28 2pvn n ASP 120 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2pvn h PHE 121 N 2.05 0.48 -0.40 -0.67 -0.00 -1.93 0.30 116.94 116.78 2pvn h PHE 121 Ca -0.39 -0.09 0.11 0.00 -0.00 0.00 0.00 57.97 57.61 2pvn h PHE 121 Cb 1.35 -0.12 -0.02 0.00 -0.00 0.00 0.00 35.95 37.16 2pvn h PHE 121 CO 0.48 0.61 0.31 0.87 -0.00 0.00 0.00 178.31 180.58 2pvn h LYS 122 N 0.40 0.00 0.00 6.09 1.57 -2.00 -1.60 116.57 121.02 2pvn h LYS 122 Ca 0.07 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.54 2pvn h LYS 122 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 2pvn h LYS 122 CO 0.04 0.00 -2.16 0.28 -0.57 0.00 0.00 179.45 177.04 2pvn n VAL 123 N -4.22 1.17 0.18 0.50 0.31 -0.87 -4.65 118.33 110.74 2pvn n VAL 123 Ca 0.07 -0.54 -0.07 0.00 -0.01 0.00 0.00 64.34 63.79 2pvn n VAL 123 Cb 0.50 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 2pvn n VAL 123 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2pvn h LEU 124 N 0.00 -0.40 -0.89 7.52 5.85 -0.14 -3.35 115.31 123.91 2pvn h LEU 124 Ca -0.46 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.51 2pvn h LEU 124 Cb 1.82 0.10 -0.17 0.00 0.37 0.00 0.00 40.66 42.79 2pvn h LEU 124 CO -0.04 -0.21 -0.01 -1.22 -0.34 0.00 0.00 178.44 176.62 2pvn n TYR 125 N -3.70 0.53 0.20 1.25 4.02 -0.63 -0.48 117.16 118.35 2pvn n TYR 125 Ca -0.06 1.07 0.17 0.00 -0.01 0.00 0.00 57.90 59.07 2pvn n TYR 125 Cb 0.19 -1.15 0.81 0.00 -0.02 0.00 0.00 39.34 39.17 2pvn n TYR 125 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2pvn h PRO 126 N 0.00 0.00 0.00 -0.72 0.11 -1.76 -2.06 132.00 127.57 2pvn h PRO 126 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2pvn h PRO 126 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pvn h PRO 126 CO -0.85 0.00 -0.85 0.25 -0.21 0.00 0.00 178.00 176.34 2pvn n THR 127 N -3.91 0.03 -1.74 -1.15 -2.24 0.37 -4.96 114.28 100.68 2pvn n THR 127 Ca 0.02 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 2pvn n THR 127 Cb 0.32 0.56 0.03 0.00 -2.10 0.00 0.00 70.33 69.14 2pvn n THR 127 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pvn n LEU 128 N -1.60 5.07 -4.95 3.22 4.77 -0.78 -5.00 117.00 117.73 2pvn n LEU 128 Ca 0.04 1.06 -0.23 0.00 -0.03 0.00 0.00 56.01 56.85 2pvn n LEU 128 Cb 0.36 -1.57 0.03 0.00 -2.33 0.00 0.00 43.42 39.90 2pvn n LEU 128 CO 0.40 -0.41 0.39 0.42 -1.33 0.00 0.00 177.39 176.85 2pvn s THR 129 N -1.23 3.18 0.20 -5.08 -4.23 -1.26 -4.88 115.64 102.33 2pvn s THR 129 Ca 0.65 -0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.54 2pvn s THR 129 Cb -0.45 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.37 2pvn s THR 129 CO 0.54 -0.17 1.63 -0.78 -0.54 0.00 0.00 174.62 175.31 2pvn h ASP 130 N 0.06 -0.58 -0.18 3.99 -0.00 -1.95 -0.10 116.42 117.66 2pvn h ASP 130 Ca -0.44 0.17 -0.07 0.00 -0.00 0.00 0.00 57.03 56.69 2pvn h ASP 130 Cb 1.28 0.37 -0.02 0.00 -0.00 0.00 0.00 39.33 40.96 2pvn h ASP 130 CO 0.56 -0.20 -0.11 0.22 -0.00 0.00 0.00 179.24 179.71 2pvn h TYR 131 N -0.02 0.59 -0.45 0.28 3.20 -1.97 -2.34 116.97 116.27 2pvn h TYR 131 Ca 0.27 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2pvn h TYR 131 Cb 0.43 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2pvn h TYR 131 CO -0.48 0.65 0.24 -0.44 -1.64 0.00 0.00 178.16 176.48 2pvn h ASP 132 N 0.51 0.56 0.20 -2.11 3.32 -1.43 0.11 116.42 117.58 2pvn h ASP 132 Ca 0.09 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2pvn h ASP 132 Cb 0.50 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2pvn h ASP 132 CO 0.03 0.49 -0.32 0.40 -1.72 0.00 0.00 179.24 178.12 2pvn h ILE 133 N 0.58 0.32 -0.56 0.35 2.04 -0.97 0.27 117.51 119.54 2pvn h ILE 133 Ca 0.16 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.09 2pvn h ILE 133 Cb 0.06 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 2pvn h ILE 133 CO -0.02 0.00 0.22 0.03 0.00 0.00 0.00 178.15 178.38 2pvn h ARG 134 N -0.60 0.40 0.70 2.37 3.08 -1.16 0.29 114.38 119.47 2pvn h ARG 134 Ca 0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2pvn h ARG 134 Cb 0.59 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2pvn h ARG 134 CO -0.14 0.27 -0.42 -0.92 -1.07 0.00 0.00 179.97 177.69 2pvn h TYR 135 N 0.42 -1.11 -0.26 3.04 3.20 -0.20 -1.16 116.97 120.90 2pvn h TYR 135 Ca 0.27 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 2pvn h TYR 135 Cb 0.29 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2pvn h TYR 135 CO -0.15 -0.64 -0.14 1.88 -1.64 0.00 0.00 178.16 177.47 2pvn h TYR 136 N -1.05 0.48 -0.44 -3.82 0.05 -0.26 -1.69 116.97 110.24 2pvn h TYR 136 Ca -0.09 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.57 2pvn h TYR 136 Cb 0.84 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 2pvn h TYR 136 CO -0.09 0.58 0.11 0.82 -1.05 0.00 0.00 178.16 178.52 2pvn h ILE 137 N 0.42 1.23 -0.44 -2.88 1.08 -0.90 -0.35 117.51 115.67 2pvn h ILE 137 Ca 0.08 -0.81 0.08 0.00 -0.39 0.00 0.00 64.86 63.81 2pvn h ILE 137 Cb 0.49 0.92 -0.07 0.00 -3.07 0.00 0.00 36.82 35.09 2pvn h ILE 137 CO 0.03 0.29 0.01 0.22 -0.69 0.00 0.00 178.15 178.01 2pvn h TYR 138 N 0.58 0.00 -0.78 1.37 3.20 -0.74 0.16 116.97 120.75 2pvn h TYR 138 Ca 0.14 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2pvn h TYR 138 Cb 0.32 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 2pvn h TYR 138 CO 0.02 -0.08 0.34 0.93 -1.64 0.00 0.00 178.16 177.73 2pvn h GLU 139 N 0.13 1.15 -0.45 1.82 4.39 -0.92 -1.71 114.58 118.99 2pvn h GLU 139 Ca 0.22 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2pvn h GLU 139 Cb 0.32 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2pvn h GLU 139 CO -0.35 0.91 0.07 1.25 -1.16 0.00 0.00 179.01 179.72 2pvn h LEU 140 N 1.13 0.65 -1.21 1.33 5.85 0.23 -2.59 115.31 120.70 2pvn h LEU 140 Ca 0.27 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 2pvn h LEU 140 Cb 0.17 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2pvn h LEU 140 CO -0.03 0.68 0.05 -0.07 -0.34 0.00 0.00 178.44 178.73 2pvn h LEU 141 N 0.67 0.55 -1.27 2.25 3.38 0.15 -1.75 115.31 119.29 2pvn h LEU 141 Ca 0.14 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2pvn h LEU 141 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2pvn h LEU 141 CO 0.00 0.59 -0.06 0.11 0.09 0.00 0.00 178.44 179.17 2pvn h LYS 142 N 0.57 0.42 -0.15 1.13 1.57 -1.02 -0.20 116.57 118.89 2pvn h LYS 142 Ca 0.13 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 2pvn h LYS 142 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2pvn h LYS 142 CO 0.00 0.50 -0.33 0.00 -0.57 0.00 0.00 179.45 179.05 2pvn h ALA 143 N 1.54 0.25 0.17 3.86 0.00 -1.22 -2.04 119.26 121.82 2pvn h ALA 143 Ca 0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2pvn h ALA 143 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pvn h ALA 143 CO 0.02 0.29 -0.08 -0.07 0.00 0.00 0.00 179.25 179.41 2pvn h LEU 144 N 0.12 -0.19 -1.42 0.00 3.38 -1.12 -1.10 115.31 114.97 2pvn h LEU 144 Ca 0.00 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.85 2pvn h LEU 144 Cb 0.93 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2pvn h LEU 144 CO 0.07 0.11 0.48 -0.78 0.09 0.00 0.00 178.44 178.41 2pvn h ASP 145 N -0.51 0.59 -0.14 -0.43 3.58 -1.12 0.96 116.42 119.35 2pvn h ASP 145 Ca -0.02 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2pvn h ASP 145 Cb 0.39 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2pvn h ASP 145 CO 0.04 0.36 -0.09 0.22 -2.88 0.00 0.00 179.24 176.89 2pvn h TYR 146 N 0.66 0.35 -0.30 0.28 3.20 -1.17 -1.15 116.97 118.84 2pvn h TYR 146 Ca 0.33 -0.09 -0.17 0.00 3.14 0.00 0.00 58.73 61.94 2pvn h TYR 146 Cb 0.43 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2pvn h TYR 146 CO -0.00 0.65 -0.47 0.00 -1.64 0.00 0.00 178.16 176.70 2pvn h HIS 148 N 0.63 0.52 0.00 0.00 3.86 -0.84 0.32 115.15 119.64 2pvn h HIS 148 Ca 0.03 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2pvn h HIS 148 Cb 1.05 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2pvn h HIS 148 CO 0.06 0.27 0.00 -1.13 0.86 0.00 0.00 177.93 177.99 2pvn n SER 149 N -4.85 0.11 -0.90 2.45 3.41 -0.44 -0.73 113.62 112.67 2pvn n SER 149 Ca 0.04 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 2pvn n SER 149 Cb 0.11 -0.56 0.12 0.00 -0.26 0.00 0.00 64.21 63.63 2pvn n SER 149 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pvn n GLN 150 N -1.63 2.05 -1.09 4.33 1.13 0.10 -4.96 117.38 117.31 2pvn n GLN 150 Ca 0.01 -1.88 0.00 0.00 -1.94 0.00 0.00 57.00 53.20 2pvn n GLN 150 Cb 0.09 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2pvn n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pvn n GLY 151 N 1.22 0.78 3.11 1.08 0.00 0.09 -4.80 105.19 106.67 2pvn n GLY 151 Ca 0.14 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 2pvn n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvn s ILE 152 N -2.00 1.36 -0.24 -0.61 1.09 -0.52 -0.40 121.20 119.88 2pvn s ILE 152 Ca 0.00 -0.66 -0.10 0.00 -1.10 0.00 0.00 60.65 58.80 2pvn s ILE 152 Cb 0.00 -1.18 -0.04 0.00 -1.06 0.00 0.00 42.46 40.17 2pvn s ILE 152 CO 0.00 0.40 0.13 -0.04 -0.10 0.00 0.00 174.94 175.33 2pvn s MET 153 N 0.21 3.97 0.30 2.79 -1.94 0.13 -3.39 119.30 121.37 2pvn s MET 153 Ca -0.07 -0.33 0.13 0.00 -1.71 0.00 0.00 55.69 53.71 2pvn s MET 153 Cb -0.13 -3.47 0.45 0.00 2.01 0.00 0.00 34.83 33.70 2pvn s MET 153 CO 0.03 0.01 1.65 1.25 -0.01 0.00 0.00 175.02 177.95 2pvn h HIS 154 N 7.65 0.00 -2.00 -0.03 2.76 -1.92 0.47 115.15 122.09 2pvn h HIS 154 Ca -0.37 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.63 2pvn h HIS 154 Cb 1.17 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.08 2pvn h HIS 154 CO 0.67 0.55 -0.16 0.54 -1.30 0.00 0.00 177.93 178.22 2pvn n ARG 155 N -3.76 -1.37 -2.69 5.26 1.74 -1.26 -2.86 116.66 111.72 2pvn n ARG 155 Ca -0.01 0.47 -0.06 0.00 -0.77 0.00 0.00 57.85 57.48 2pvn n ARG 155 Cb 0.58 -4.68 0.11 0.00 -1.02 0.00 0.00 32.46 27.45 2pvn n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pvn n ASP 156 N -0.19 -1.84 -4.70 0.55 2.03 -1.26 -1.81 116.55 109.32 2pvn n ASP 156 Ca -0.08 -2.40 -0.42 0.00 0.52 0.00 0.00 54.79 52.40 2pvn n ASP 156 Cb 0.31 0.99 -0.03 0.00 -0.72 0.00 0.00 41.12 41.68 2pvn n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2pvn s VAL 157 N 0.19 4.59 -0.11 5.18 1.01 -1.26 -4.83 120.40 125.17 2pvn s VAL 157 Ca 0.20 1.86 -0.32 0.00 0.00 0.00 0.00 61.98 63.73 2pvn s VAL 157 Cb 0.39 -4.20 0.12 0.00 0.00 0.00 0.00 36.38 32.70 2pvn s VAL 157 CO -0.09 0.10 1.06 -1.59 0.00 0.00 0.00 175.10 174.58 2pvn s LYS 158 N 1.36 0.54 0.20 2.72 -2.85 -1.26 -4.79 119.74 115.66 2pvn s LYS 158 Ca 0.53 -0.15 -0.15 0.00 -1.00 0.00 0.00 55.97 55.20 2pvn s LYS 158 Cb -0.23 0.25 0.20 0.00 -2.06 0.00 0.00 37.83 35.99 2pvn s LYS 158 CO 0.26 -0.23 1.62 -1.35 0.10 0.00 0.00 175.35 175.75 2pvn h PRO 159 N 2.07 -0.05 -0.36 1.78 0.11 -1.94 0.83 132.00 134.46 2pvn h PRO 159 Ca -0.16 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.06 2pvn h PRO 159 Cb 1.20 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2pvn h PRO 159 CO 0.27 -0.03 0.68 0.45 -0.21 0.00 0.00 178.00 179.17 2pvn h HIS 160 N -0.05 0.00 -0.36 0.65 3.86 -1.97 0.43 115.15 117.72 2pvn h HIS 160 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2pvn h HIS 160 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2pvn h HIS 160 CO -0.52 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.36 2pvn n ASN 161 N -3.15 4.30 -3.93 2.45 3.02 0.28 -4.79 115.26 113.44 2pvn n ASN 161 Ca 0.07 -2.91 -0.31 0.00 -0.03 0.00 0.00 54.58 51.40 2pvn n ASN 161 Cb 0.82 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 39.28 2pvn n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pvn s VAL 162 N -2.66 1.85 -0.15 2.41 1.01 0.15 -0.87 120.40 122.14 2pvn s VAL 162 Ca 0.44 -2.05 -0.27 0.00 0.00 0.00 0.00 61.98 60.10 2pvn s VAL 162 Cb 0.35 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2pvn s VAL 162 CO 0.12 -0.62 0.90 -0.04 0.00 0.00 0.00 175.10 175.46 2pvn s MET 163 N 1.12 4.33 -0.13 2.72 -1.94 -0.73 -4.93 119.30 119.75 2pvn s MET 163 Ca 0.10 1.16 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 2pvn s MET 163 Cb -0.18 -3.57 0.02 0.00 2.01 0.00 0.00 34.83 33.11 2pvn s MET 163 CO -0.13 -0.34 -0.11 0.42 -0.01 0.00 0.00 175.02 174.84 2pvn s ILE 164 N 2.18 1.29 -0.82 2.53 1.01 -1.26 -1.72 121.20 124.40 2pvn s ILE 164 Ca 0.42 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 2pvn s ILE 164 Cb -0.17 -1.25 0.15 0.00 0.01 0.00 0.00 42.46 41.20 2pvn s ILE 164 CO 0.14 0.41 0.93 -0.62 0.00 0.00 0.00 174.94 175.79 2pvn s ASP 165 N 1.52 6.57 0.40 3.58 -1.08 -0.37 -2.26 116.67 125.03 2pvn s ASP 165 Ca 0.03 -2.09 0.11 0.00 -0.52 0.00 0.00 52.55 50.08 2pvn s ASP 165 Cb -0.13 -2.32 0.93 0.00 -1.46 0.00 0.00 42.92 39.94 2pvn s ASP 165 CO -0.08 -0.93 1.95 -0.74 0.52 0.00 0.00 175.17 175.89 2pvn h HIS 166 N 8.60 0.58 -0.00 -5.34 -0.00 -1.83 0.22 115.15 117.38 2pvn h HIS 166 Ca 0.04 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 2pvn h HIS 166 Cb 1.04 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.25 2pvn h HIS 166 CO 1.05 0.27 -0.07 1.49 -0.00 0.00 0.00 177.93 180.67 2pvn h GLU 167 N 0.54 -0.12 -0.02 5.26 4.57 -1.91 -2.55 114.58 120.34 2pvn h GLU 167 Ca 0.32 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2pvn h GLU 167 Cb 0.53 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2pvn h GLU 167 CO -0.11 -0.08 0.00 1.28 -1.18 0.00 0.00 179.01 178.92 2pvn n LEU 168 N -5.19 1.44 -3.71 1.64 4.77 -0.86 -4.92 117.00 110.16 2pvn n LEU 168 Ca -0.06 -0.49 -0.28 0.00 -0.03 0.00 0.00 56.01 55.15 2pvn n LEU 168 Cb 0.12 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2pvn n LEU 168 CO 0.29 0.24 0.01 0.54 -1.33 0.00 0.00 177.39 177.15 2pvn n ARG 169 N 0.13 -4.01 -4.17 3.23 1.74 0.72 -4.95 116.66 109.35 2pvn n ARG 169 Ca 0.19 0.50 -0.35 0.00 -0.77 0.00 0.00 57.85 57.42 2pvn n ARG 169 Cb 0.34 -5.28 -0.08 0.00 -1.02 0.00 0.00 32.46 26.42 2pvn n ARG 169 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2pvn s LYS 170 N -6.40 3.28 0.06 5.56 2.20 -1.02 -4.98 119.74 118.44 2pvn s LYS 170 Ca 0.56 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.90 2pvn s LYS 170 Cb -0.29 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2pvn s LYS 170 CO 0.69 0.66 -0.12 -1.17 -0.36 0.00 0.00 175.35 175.04 2pvn s LEU 171 N -0.73 2.26 -0.08 5.43 0.20 -1.26 -1.24 118.68 123.27 2pvn s LEU 171 Ca 0.12 -0.58 -0.05 0.00 0.69 0.00 0.00 54.13 54.30 2pvn s LEU 171 Cb -0.12 -0.41 0.03 0.00 -0.43 0.00 0.00 46.19 45.26 2pvn s LEU 171 CO 0.03 -0.11 0.19 -0.13 -0.29 0.00 0.00 176.35 176.04 2pvn s ARG 172 N -1.65 0.18 -0.25 1.98 1.81 -0.70 -4.63 118.95 115.70 2pvn s ARG 172 Ca -0.04 0.36 -0.24 0.00 -1.72 0.00 0.00 55.73 54.09 2pvn s ARG 172 Cb -0.10 -0.03 -0.01 0.00 -0.45 0.00 0.00 34.95 34.37 2pvn s ARG 172 CO 0.02 -0.10 0.79 -1.17 -0.68 0.00 0.00 175.30 174.16 2pvn s LEU 173 N 0.68 4.08 0.47 2.53 2.96 0.52 -1.77 118.68 128.15 2pvn s LEU 173 Ca -0.05 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 2pvn s LEU 173 Cb -0.06 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 2pvn s LEU 173 CO -0.04 -0.50 0.11 0.27 -1.32 0.00 0.00 176.35 174.88 2pvn s ILE 174 N 2.79 1.67 -0.33 6.68 -4.36 -0.05 -2.62 121.20 124.98 2pvn s ILE 174 Ca 0.33 -1.84 -0.06 0.00 -0.26 0.00 0.00 60.65 58.82 2pvn s ILE 174 Cb -0.15 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.05 2pvn s ILE 174 CO 0.08 0.00 0.19 -0.67 0.24 0.00 0.00 174.94 174.78 2pvn n ASP 175 N -1.29 -7.91 -2.27 4.36 -0.08 -1.26 -4.81 116.55 103.29 2pvn n ASP 175 Ca -0.09 1.10 -0.28 0.00 -1.51 0.00 0.00 54.79 54.00 2pvn n ASP 175 Cb 0.66 -5.13 0.14 0.00 2.34 0.00 0.00 41.12 39.13 2pvn n ASP 175 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2pvn n TRP 176 N 0.42 3.13 -0.12 -0.67 7.02 -1.26 -4.57 117.44 121.38 2pvn n TRP 176 Ca 0.03 -2.35 -0.12 0.00 -1.02 0.00 0.00 57.50 54.05 2pvn n TRP 176 Cb 0.18 -1.16 -0.03 0.00 -2.42 0.00 0.00 31.31 27.88 2pvn n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 2pvn h GLY 177 N 1.44 0.85 1.40 6.99 0.00 -1.90 -3.02 103.07 108.83 2pvn h GLY 177 Ca 0.62 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2pvn h GLY 177 CO 1.31 0.72 -0.32 1.04 0.00 0.00 0.00 176.54 179.29 2pvn n LEU 178 N -4.26 0.36 -4.41 3.11 4.77 -1.26 -4.72 117.00 110.58 2pvn n LEU 178 Ca -0.02 0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.84 2pvn n LEU 178 Cb 0.43 -0.33 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 2pvn n LEU 178 CO 0.44 0.05 -0.09 0.00 -1.33 0.00 0.00 177.39 176.47 2pvn n ALA 179 N -1.54 -2.58 -3.04 -1.18 0.00 -1.13 -4.68 120.51 106.35 2pvn n ALA 179 Ca 0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 2pvn n ALA 179 Cb 0.35 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 2pvn n ALA 179 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pvn s GLU 180 N -3.58 1.01 0.18 0.00 0.41 0.16 -4.92 118.70 111.95 2pvn s GLU 180 Ca 0.57 -0.59 -0.26 0.00 -0.41 0.00 0.00 54.97 54.28 2pvn s GLU 180 Cb -0.22 0.44 -0.08 0.00 -1.78 0.00 0.00 34.13 32.50 2pvn s GLU 180 CO 0.67 -0.38 0.81 -0.06 -0.49 0.00 0.00 175.26 175.82 2pvn s PHE 181 N -3.33 3.92 -0.19 1.61 0.40 -1.26 -0.69 117.98 118.44 2pvn s PHE 181 Ca 0.00 1.69 -0.17 0.00 -0.60 0.00 0.00 56.93 57.85 2pvn s PHE 181 Cb 0.01 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 2pvn s PHE 181 CO -0.09 0.50 0.45 -0.47 0.70 0.00 0.00 175.22 176.32 2pvn s TYR 182 N -1.13 3.38 -0.12 0.36 5.04 0.46 -4.89 117.35 120.47 2pvn s TYR 182 Ca 0.37 0.70 0.02 0.00 -2.44 0.00 0.00 57.07 55.72 2pvn s TYR 182 Cb -0.24 -2.59 0.01 0.00 0.35 0.00 0.00 41.96 39.50 2pvn s TYR 182 CO 0.27 -0.03 -0.16 -1.01 -1.34 0.00 0.00 175.55 173.28 2pvn s HIS 183 N 1.38 2.11 -0.66 4.97 3.76 -1.26 -4.60 115.29 121.00 2pvn s HIS 183 Ca 0.22 -1.02 -0.31 0.00 -0.15 0.00 0.00 55.06 53.79 2pvn s HIS 183 Cb -0.15 -1.51 -0.14 0.00 1.11 0.00 0.00 32.58 31.89 2pvn s HIS 183 CO 0.09 -0.52 2.47 -2.30 -0.85 0.00 0.00 174.74 173.63 2pvn n PRO 184 N 4.22 0.59 0.00 8.40 -0.02 -1.26 -1.68 135.00 145.24 2pvn n PRO 184 Ca -0.19 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2pvn n PRO 184 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2pvn n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvn n GLY 185 N 6.40 0.31 3.79 -1.23 0.00 -1.26 -5.09 105.19 108.11 2pvn n GLY 185 Ca 0.50 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 2pvn n GLY 185 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pvn s LYS 186 N -0.81 3.86 0.14 1.61 2.20 -0.68 -4.95 119.74 121.12 2pvn s LYS 186 Ca 0.00 1.44 -0.02 0.00 -0.36 0.00 0.00 55.97 57.03 2pvn s LYS 186 Cb 0.00 -2.22 -0.05 0.00 -1.51 0.00 0.00 37.83 34.05 2pvn s LYS 186 CO 0.00 -0.40 0.34 -1.21 -0.36 0.00 0.00 175.35 173.73 2pvn s GLU 187 N -3.02 3.55 0.06 4.03 2.02 -1.26 -4.27 118.70 119.80 2pvn s GLU 187 Ca 0.65 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 55.42 2pvn s GLU 187 Cb -0.19 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 2pvn s GLU 187 CO 0.23 0.48 -0.09 0.71 0.02 0.00 0.00 175.26 176.61 2pvn s TYR 188 N -1.70 0.82 0.58 1.61 1.51 -0.26 -4.94 117.35 114.98 2pvn s TYR 188 Ca 0.39 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.72 2pvn s TYR 188 Cb -0.12 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.21 2pvn s TYR 188 CO 0.27 -0.05 1.12 -1.71 -1.11 0.00 0.00 175.55 174.06 2pvn n ASN 189 N 1.27 1.49 -0.60 2.29 2.85 -1.26 -4.71 115.26 116.58 2pvn n ASN 189 Ca -0.21 0.87 0.05 0.00 -0.11 0.00 0.00 54.58 55.18 2pvn n ASN 189 Cb 0.55 -1.46 0.14 0.00 1.24 0.00 0.00 39.78 40.25 2pvn n ASN 189 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2pvn n VAL 190 N -1.51 0.95 -2.34 3.44 0.24 -1.26 -4.64 118.33 113.20 2pvn n VAL 190 Ca 0.13 -0.97 -0.41 0.00 -2.04 0.00 0.00 64.34 61.05 2pvn n VAL 190 Cb 0.46 0.54 0.01 0.00 -1.47 0.00 0.00 33.84 33.38 2pvn n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pvn n ARG 191 N 0.48 5.04 -4.54 7.34 1.74 -1.26 -4.87 116.66 120.59 2pvn n ARG 191 Ca 0.11 -4.11 -0.26 0.00 -0.77 0.00 0.00 57.85 52.82 2pvn n ARG 191 Cb 0.41 -2.55 -0.09 0.00 -1.02 0.00 0.00 32.46 29.21 2pvn n ARG 191 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2pvn s VAL 192 N -2.83 0.88 0.40 1.55 -7.23 -1.26 -5.08 120.40 106.83 2pvn s VAL 192 Ca 0.46 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2pvn s VAL 192 Cb 0.19 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2pvn s VAL 192 CO -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.68 2pvn n ALA 193 N -0.92 -3.72 -2.83 1.32 0.00 -0.75 -4.71 120.51 108.90 2pvn n ALA 193 Ca -0.07 0.56 -0.35 0.00 0.00 0.00 0.00 53.44 53.58 2pvn n ALA 193 Cb 0.66 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 2pvn n ALA 193 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2pvn s SER 194 N -7.16 5.61 0.00 0.00 0.01 -1.26 -4.90 113.70 106.00 2pvn s SER 194 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2pvn s SER 194 Cb 0.00 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2pvn s SER 194 CO 0.00 0.15 0.00 -1.14 0.41 0.00 0.00 173.24 172.66 2pvn n ARG 195 N 3.67 0.00 0.07 12.44 0.63 -1.26 0.26 116.66 132.48 2pvn n ARG 195 Ca -0.16 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 56.83 2pvn n ARG 195 Cb 0.52 0.00 0.33 0.00 0.45 0.00 0.00 32.46 33.76 2pvn n ARG 195 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2pvn n TYR 196 N -3.64 0.37 -0.22 -0.14 4.01 -1.26 -2.37 117.16 113.91 2pvn n TYR 196 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2pvn n TYR 196 Cb 0.00 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 2pvn n TYR 196 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2pvn n PHE 197 N -1.87 0.00 -2.21 -0.72 3.72 0.74 -4.58 117.46 112.54 2pvn n PHE 197 Ca 0.01 -0.20 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 2pvn n PHE 197 Cb 0.09 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 2pvn n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2pvn s LYS 198 N -0.41 4.31 0.63 -1.08 1.02 -1.00 -4.11 119.74 119.10 2pvn s LYS 198 Ca 0.00 1.99 -0.17 0.00 0.02 0.00 0.00 55.97 57.82 2pvn s LYS 198 Cb 0.00 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2pvn s LYS 198 CO 0.00 -0.51 1.14 0.20 -0.92 0.00 0.00 175.35 175.26 2pvn s GLY 199 N 1.57 2.37 0.41 -3.33 0.00 -1.26 -4.84 107.32 102.23 2pvn s GLY 199 Ca 0.64 0.72 0.18 0.00 0.00 0.00 0.00 44.72 46.25 2pvn s GLY 199 CO 0.28 1.08 1.81 -2.55 0.00 0.00 0.00 173.10 173.72 2pvn h PRO 200 N 0.37 0.40 -0.87 2.90 0.11 -1.93 0.31 132.00 133.28 2pvn h PRO 200 Ca -0.48 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.70 2pvn h PRO 200 Cb 1.26 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 2pvn h PRO 200 CO 0.54 0.26 0.52 1.05 -0.21 0.00 0.00 178.00 180.16 2pvn h GLU 201 N 0.41 0.84 -0.05 1.05 9.09 -1.90 0.16 114.58 124.18 2pvn h GLU 201 Ca 0.54 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.80 2pvn h GLU 201 Cb 1.35 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2pvn h GLU 201 CO -0.24 0.56 -0.41 -0.07 0.05 0.00 0.00 179.01 178.90 2pvn h LEU 202 N 0.87 0.11 -0.05 3.06 3.38 -0.61 0.14 115.31 122.21 2pvn h LEU 202 Ca 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2pvn h LEU 202 Cb 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2pvn h LEU 202 CO -0.24 0.52 -0.06 0.18 0.09 0.00 0.00 178.44 178.93 2pvn n LEU 203 N -4.03 0.14 -0.06 1.67 4.77 -0.09 -3.41 117.00 115.99 2pvn n LEU 203 Ca -0.02 0.25 0.05 0.00 -0.03 0.00 0.00 56.01 56.26 2pvn n LEU 203 Cb 0.46 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2pvn n LEU 203 CO 0.40 0.03 0.50 1.33 -1.33 0.00 0.00 177.39 178.32 2pvn n VAL 204 N -1.27 1.29 -1.86 4.08 0.24 -0.44 -4.93 118.33 115.43 2pvn n VAL 204 Ca 0.12 -1.46 -0.16 0.00 -2.04 0.00 0.00 64.34 60.80 2pvn n VAL 204 Cb 0.28 0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 2pvn n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2pvn n ASP 205 N -0.87 -4.86 -4.59 -1.34 9.92 -0.91 -4.87 116.55 109.03 2pvn n ASP 205 Ca 0.07 0.20 -0.43 0.00 -0.53 0.00 0.00 54.79 54.11 2pvn n ASP 205 Cb 0.47 -3.87 -0.02 0.00 -0.64 0.00 0.00 41.12 37.05 2pvn n ASP 205 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2pvn s LEU 206 N -4.10 3.54 0.09 0.64 0.20 -0.01 -4.88 118.68 114.16 2pvn s LEU 206 Ca 0.00 0.38 -0.07 0.00 0.69 0.00 0.00 54.13 55.13 2pvn s LEU 206 Cb 0.00 -3.37 -0.21 0.00 -0.43 0.00 0.00 46.19 42.19 2pvn s LEU 206 CO 0.00 -1.41 1.20 1.56 -0.29 0.00 0.00 176.35 177.41 2pvn h GLN 207 N 9.75 0.40 -3.09 1.98 4.20 -1.85 -3.40 115.11 123.11 2pvn h GLN 207 Ca -0.25 -0.54 -0.73 0.00 0.06 0.00 0.00 58.65 57.19 2pvn h GLN 207 Cb 1.07 0.18 -0.10 0.00 0.30 0.00 0.00 27.48 28.93 2pvn h GLN 207 CO 1.15 1.21 2.61 -0.40 -0.67 0.00 0.00 178.83 182.73 2pvn n ASP 208 N -3.68 6.83 -4.11 1.46 5.75 -1.26 -1.10 116.55 120.44 2pvn n ASP 208 Ca -0.09 -3.01 -0.22 0.00 -0.01 0.00 0.00 54.79 51.46 2pvn n ASP 208 Cb 0.94 -1.46 0.13 0.00 -1.03 0.00 0.00 41.12 39.70 2pvn n ASP 208 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pvn n TYR 209 N 3.13 -3.28 -2.83 2.11 0.18 -1.26 -4.47 117.16 110.74 2pvn n TYR 209 Ca 0.57 -1.42 0.00 0.00 1.88 0.00 0.00 57.90 58.92 2pvn n TYR 209 Cb 0.29 -0.73 0.00 0.00 -0.38 0.00 0.00 39.34 38.53 2pvn n TYR 209 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2pvn n ASP 210 N -3.16 0.00 -0.44 9.48 3.85 -1.26 -4.94 116.55 120.09 2pvn n ASP 210 Ca 0.15 -0.39 0.38 0.00 -0.71 0.00 0.00 54.79 54.21 2pvn n ASP 210 Cb 0.52 0.00 0.65 0.00 -1.35 0.00 0.00 41.12 40.95 2pvn n ASP 210 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 2pvn h TYR 211 N 0.39 0.58 -0.99 2.11 0.05 -1.94 0.40 116.97 117.57 2pvn h TYR 211 Ca 0.00 0.03 0.37 0.00 0.05 0.00 0.00 58.73 59.17 2pvn h TYR 211 Cb 0.00 -0.14 -0.17 0.00 1.01 0.00 0.00 36.73 37.43 2pvn h TYR 211 CO 0.00 -0.31 0.47 0.77 -1.05 0.00 0.00 178.16 178.04 2pvn h SER 212 N 0.03 0.25 -0.92 3.88 0.02 -1.94 0.60 113.55 115.47 2pvn h SER 212 Ca 0.86 0.24 0.22 0.00 -0.84 0.00 0.00 61.79 62.28 2pvn h SER 212 Cb 2.65 0.26 -0.12 0.00 0.14 0.00 0.00 62.40 65.33 2pvn h SER 212 CO -0.52 -0.34 0.44 0.25 -1.14 0.00 0.00 176.83 175.52 2pvn h LEU 213 N 0.09 0.41 -1.44 5.07 5.85 -1.27 0.82 115.31 124.84 2pvn h LEU 213 Ca 0.77 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 59.59 2pvn h LEU 213 Cb 1.91 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 2pvn h LEU 213 CO -0.74 0.02 -0.26 0.44 -0.34 0.00 0.00 178.44 177.57 2pvn h ASP 214 N 0.44 0.00 1.09 1.25 3.32 -1.08 -2.49 116.42 118.95 2pvn h ASP 214 Ca 0.58 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.52 2pvn h ASP 214 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2pvn h ASP 214 CO -0.51 0.26 -0.51 0.24 -1.72 0.00 0.00 179.24 177.00 2pvn h MET 215 N 0.00 0.00 -0.08 3.56 2.86 -0.92 0.39 114.93 120.74 2pvn h MET 215 Ca -0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2pvn h MET 215 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2pvn h MET 215 CO 0.03 0.51 -0.26 2.35 1.06 0.00 0.00 176.91 180.60 2pvn h TRP 216 N 0.00 0.42 -0.11 -0.22 2.91 -1.17 -0.58 115.95 117.19 2pvn h TRP 216 Ca -0.01 -0.17 0.02 0.00 1.13 0.00 0.00 58.89 59.86 2pvn h TRP 216 Cb 1.19 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 2pvn h TRP 216 CO 0.00 0.88 -0.00 0.77 -1.03 0.00 0.00 178.44 179.05 2pvn h SER 217 N -0.16 -0.05 -0.65 2.65 0.02 -1.41 0.15 113.55 114.11 2pvn h SER 217 Ca -0.01 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2pvn h SER 217 Cb 0.89 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 2pvn h SER 217 CO 0.06 -0.01 0.27 0.25 -1.14 0.00 0.00 176.83 176.26 2pvn h LEU 218 N 0.03 0.31 -0.76 5.07 5.85 -0.90 0.16 115.31 125.07 2pvn h LEU 218 Ca 0.05 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2pvn h LEU 218 Cb 0.06 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2pvn h LEU 218 CO -0.09 0.18 0.46 1.23 -0.34 0.00 0.00 178.44 179.88 2pvn h GLY 219 N 0.48 1.12 1.00 3.75 0.00 0.13 0.44 103.07 109.98 2pvn h GLY 219 Ca 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2pvn h GLY 219 CO -0.29 0.24 0.35 0.00 0.00 0.00 0.00 176.54 176.84 2pvn h MET 221 N 0.87 0.61 -0.22 0.00 -1.53 0.03 -1.07 114.93 113.63 2pvn h MET 221 Ca 0.22 -0.10 -0.08 0.00 -3.44 0.00 0.00 59.70 56.30 2pvn h MET 221 Cb 0.03 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 2pvn h MET 221 CO -0.04 0.55 -0.21 0.35 0.14 0.00 0.00 176.91 177.70 2pvn h PHE 222 N 0.53 0.43 -0.16 1.39 3.57 0.27 -2.31 116.94 120.66 2pvn h PHE 222 Ca 0.14 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2pvn h PHE 222 Cb 0.15 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2pvn h PHE 222 CO -0.01 0.58 -0.07 0.00 -2.23 0.00 0.00 178.31 176.59 2pvn h ALA 223 N 1.42 0.22 -0.63 2.41 0.00 -0.18 -2.45 119.26 120.06 2pvn h ALA 223 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2pvn h ALA 223 Cb 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2pvn h ALA 223 CO 0.04 0.01 0.37 0.78 0.00 0.00 0.00 179.25 180.45 2pvn h GLY 224 N -0.00 0.90 0.67 0.00 0.00 -1.05 -0.76 103.07 102.83 2pvn h GLY 224 Ca 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2pvn h GLY 224 CO 0.02 0.36 -0.16 -0.33 0.00 0.00 0.00 176.54 176.43 2pvn h MET 225 N 0.86 -0.44 -0.07 4.80 2.07 -1.32 0.41 114.93 121.25 2pvn h MET 225 Ca 0.23 0.03 -0.17 0.00 -2.07 0.00 0.00 59.70 57.72 2pvn h MET 225 Cb -0.03 0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 2pvn h MET 225 CO -0.04 -0.12 -0.69 -0.84 1.07 0.00 0.00 176.91 176.29 2pvn h ILE 226 N -0.79 1.40 -0.01 -1.22 3.07 -1.41 -3.06 117.51 115.49 2pvn h ILE 226 Ca -0.05 -2.13 0.00 0.00 1.55 0.00 0.00 64.86 64.23 2pvn h ILE 226 Cb 0.52 2.10 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 2pvn h ILE 226 CO 0.08 0.63 -0.21 0.49 -1.05 0.00 0.00 178.15 178.09 2pvn n PHE 227 N -3.83 0.00 -3.61 0.16 3.72 -0.30 -4.58 117.46 109.02 2pvn n PHE 227 Ca -0.03 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.16 2pvn n PHE 227 Cb 0.68 -0.12 0.01 0.00 -0.94 0.00 0.00 39.48 39.10 2pvn n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2pvn n ARG 228 N -0.64 -1.34 -3.13 -1.08 1.74 0.13 -4.84 116.66 107.50 2pvn n ARG 228 Ca 0.13 0.86 -0.06 0.00 -0.77 0.00 0.00 57.85 58.01 2pvn n ARG 228 Cb 0.33 -3.47 -0.02 0.00 -1.02 0.00 0.00 32.46 28.28 2pvn n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2pvn s LYS 229 N -4.77 0.86 -0.18 5.56 2.20 -0.46 -5.03 119.74 117.92 2pvn s LYS 229 Ca 0.11 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.97 2pvn s LYS 229 Cb -0.04 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.05 2pvn s LYS 229 CO 0.86 -1.24 -0.02 -2.00 -0.36 0.00 0.00 175.35 172.59 2pvn s GLU 230 N 1.40 3.65 0.93 4.03 -6.30 -1.26 -1.75 118.70 119.40 2pvn s GLU 230 Ca 0.21 -0.52 -0.13 0.00 -2.50 0.00 0.00 54.97 52.03 2pvn s GLU 230 Cb -0.05 -3.00 0.15 0.00 0.00 0.00 0.00 34.13 31.23 2pvn s GLU 230 CO -0.06 0.14 1.17 -1.25 0.02 0.00 0.00 175.26 175.28 2pvn s PRO 231 N 0.66 0.99 -0.13 4.30 0.04 -1.26 -5.08 135.00 134.53 2pvn s PRO 231 Ca -0.01 0.10 -0.19 0.00 0.04 0.00 0.00 61.00 60.94 2pvn s PRO 231 Cb -0.14 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.39 2pvn s PRO 231 CO 0.02 -2.26 0.51 0.35 0.04 0.00 0.00 177.00 175.66 2pvn h PHE 232 N -1.54 -0.00 -3.04 0.56 3.57 -1.59 -3.38 116.94 111.52 2pvn h PHE 232 Ca -0.48 -0.00 -0.77 0.00 3.53 0.00 0.00 57.97 60.25 2pvn h PHE 232 Cb 1.31 0.00 -0.24 0.00 2.79 0.00 0.00 35.95 39.81 2pvn h PHE 232 CO -0.18 0.65 0.78 -0.06 -2.23 0.00 0.00 178.31 177.27 2pvn s PHE 233 N -2.00 3.95 -1.09 0.41 0.08 -1.26 -4.98 117.98 113.07 2pvn s PHE 233 Ca -0.12 -2.43 -0.22 0.00 0.12 0.00 0.00 56.93 54.28 2pvn s PHE 233 Cb -0.02 -4.02 0.05 0.00 -0.57 0.00 0.00 43.02 38.46 2pvn s PHE 233 CO 0.45 -1.13 1.56 -0.47 -0.10 0.00 0.00 175.22 175.53 2pvn s TYR 234 N -0.07 2.55 0.43 0.36 5.04 -1.26 -4.62 117.35 119.78 2pvn s TYR 234 Ca 0.35 -0.96 0.08 0.00 -2.44 0.00 0.00 57.07 54.09 2pvn s TYR 234 Cb -0.07 -4.67 0.00 0.00 0.35 0.00 0.00 41.96 37.56 2pvn s TYR 234 CO -0.05 -1.88 0.49 0.20 -1.34 0.00 0.00 175.55 172.97 2pvn s GLY 235 N 4.94 2.03 -0.06 8.97 0.00 -1.26 -5.02 107.32 116.93 2pvn s GLY 235 Ca 0.50 -1.77 0.19 0.00 0.00 0.00 0.00 44.72 43.63 2pvn s GLY 235 CO -0.04 -1.60 0.36 1.42 0.00 0.00 0.00 173.10 173.24 2pvn n HIS 236 N -1.73 0.00 -3.80 1.90 -0.00 -1.26 -4.92 115.22 105.40 2pvn n HIS 236 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.73 2pvn n HIS 236 Cb 0.60 -0.53 -0.02 0.00 -0.00 0.00 0.00 29.99 30.04 2pvn n HIS 236 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2pvn s ASP 237 N -4.45 -0.21 0.33 0.41 1.47 -1.26 -5.00 116.67 107.96 2pvn s ASP 237 Ca -0.08 -0.49 0.11 0.00 1.18 0.00 0.00 52.55 53.27 2pvn s ASP 237 Cb 0.11 0.59 0.97 0.00 -0.34 0.00 0.00 42.92 44.26 2pvn s ASP 237 CO 0.81 -1.09 1.65 0.78 0.68 0.00 0.00 175.17 177.99 2pvn h ASN 238 N 2.00 0.31 -0.12 2.11 4.21 -1.96 0.72 115.58 122.85 2pvn h ASN 238 Ca -0.22 0.20 -0.04 0.00 1.21 0.00 0.00 56.30 57.45 2pvn h ASN 238 Cb 1.24 0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 38.63 2pvn h ASN 238 CO 0.24 -0.16 -0.08 0.45 -1.29 0.00 0.00 177.43 176.59 2pvn h HIS 239 N 0.26 0.32 0.00 1.19 3.86 -1.96 -2.67 115.15 116.14 2pvn h HIS 239 Ca 0.68 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.78 2pvn h HIS 239 Cb 1.52 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.91 2pvn h HIS 239 CO -0.11 0.64 -0.13 0.22 0.86 0.00 0.00 177.93 179.41 2pvn h ASP 240 N -0.10 0.00 -0.05 2.45 3.58 -1.21 -2.52 116.42 118.57 2pvn h ASP 240 Ca 0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2pvn h ASP 240 Cb 0.57 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2pvn h ASP 240 CO 0.02 0.13 -0.03 -0.61 -2.88 0.00 0.00 179.24 175.88 2pvn h GLN 241 N 0.00 0.11 -0.55 0.28 5.75 0.55 -0.95 115.11 120.30 2pvn h GLN 241 Ca -0.00 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2pvn h GLN 241 Cb 0.43 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2pvn h GLN 241 CO 0.02 0.50 0.23 1.25 -2.65 0.00 0.00 178.83 178.17 2pvn h LEU 242 N -0.28 0.71 -0.04 -2.39 5.85 -1.21 -2.33 115.31 115.62 2pvn h LEU 242 Ca 0.01 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2pvn h LEU 242 Cb 0.46 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2pvn h LEU 242 CO 0.01 0.64 -0.00 0.58 -0.34 0.00 0.00 178.44 179.32 2pvn h VAL 243 N 0.78 1.27 -0.58 1.05 2.07 -1.36 -1.78 116.25 117.70 2pvn h VAL 243 Ca 0.19 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.93 2pvn h VAL 243 Cb 0.14 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2pvn h VAL 243 CO -0.02 0.22 0.39 0.11 0.02 0.00 0.00 177.57 178.29 2pvn h LYS 244 N -0.24 0.59 0.41 1.57 1.79 -0.99 -1.28 116.57 118.44 2pvn h LYS 244 Ca 0.01 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2pvn h LYS 244 Cb 0.36 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2pvn h LYS 244 CO 0.00 0.39 -0.20 0.82 -1.08 0.00 0.00 179.45 179.39 2pvn h ILE 245 N 0.61 0.47 -0.99 1.86 2.04 -1.33 -3.20 117.51 116.96 2pvn h ILE 245 Ca 0.24 -0.54 0.25 0.00 1.00 0.00 0.00 64.86 65.81 2pvn h ILE 245 Cb 0.19 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2pvn h ILE 245 CO -0.07 0.08 0.66 0.00 0.00 0.00 0.00 178.15 178.83 2pvn h ALA 246 N -0.56 2.43 0.00 1.87 0.00 -0.70 0.54 119.26 122.84 2pvn h ALA 246 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pvn h ALA 246 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pvn h ALA 246 CO 0.09 -0.76 0.00 1.63 0.00 0.00 0.00 179.25 180.21 2pvn n LYS 247 N -4.48 0.56 0.01 0.00 5.02 -0.54 -0.55 118.16 118.19 2pvn n LYS 247 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2pvn n LYS 247 Cb 0.88 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2pvn n LYS 247 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pvn n VAL 248 N -0.83 0.15 1.25 -0.18 0.31 0.18 -4.60 118.33 114.62 2pvn n VAL 248 Ca 0.09 0.05 0.14 0.00 -0.01 0.00 0.00 64.34 64.60 2pvn n VAL 248 Cb 0.04 -1.47 0.50 0.00 -0.91 0.00 0.00 33.84 32.00 2pvn n VAL 248 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2pvn n LEU 249 N -3.05 0.51 0.00 7.52 4.32 -0.75 -0.93 117.00 124.63 2pvn n LEU 249 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2pvn n LEU 249 Cb 0.42 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2pvn n LEU 249 CO 0.00 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 2pvn n GLY 250 N 1.36 -2.64 0.18 -0.72 0.00 0.29 -4.52 105.19 99.15 2pvn n GLY 250 Ca 0.11 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.89 2pvn n GLY 250 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pvn h THR 251 N 0.00 0.00 -0.24 2.61 1.35 -1.31 -3.29 112.91 112.03 2pvn h THR 251 Ca 0.00 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 2pvn h THR 251 Cb 0.00 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 2pvn h THR 251 CO 0.00 0.00 -0.01 0.44 -0.25 0.00 0.00 175.52 175.70 2pvn h ASP 252 N 0.00 0.43 -0.87 5.36 3.45 -1.86 0.52 116.42 123.45 2pvn h ASP 252 Ca 0.00 -0.32 0.02 0.00 0.43 0.00 0.00 57.03 57.16 2pvn h ASP 252 Cb 0.92 -0.11 -0.05 0.00 -0.56 0.00 0.00 39.33 39.53 2pvn h ASP 252 CO 0.00 0.64 0.58 1.23 -1.57 0.00 0.00 179.24 180.11 2pvn h GLY 253 N 0.20 1.23 0.87 2.75 0.00 -1.79 0.14 103.07 106.47 2pvn h GLY 253 Ca 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2pvn h GLY 253 CO 0.01 0.42 -0.35 -2.00 0.00 0.00 0.00 176.54 174.62 2pvn h LEU 254 N 1.15 -0.84 -0.74 3.11 5.85 -1.50 0.23 115.31 122.57 2pvn h LEU 254 Ca 0.33 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.22 2pvn h LEU 254 Cb -0.09 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.04 2pvn h LEU 254 CO -0.08 -0.52 0.12 0.78 -0.34 0.00 0.00 178.44 178.40 2pvn h ASN 255 N -1.14 -0.12 -0.83 1.25 -0.26 0.46 0.81 115.58 115.75 2pvn h ASN 255 Ca -0.10 0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 2pvn h ASN 255 Cb 0.78 0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 38.26 2pvn h ASN 255 CO 0.17 -0.10 0.45 0.00 -1.06 0.00 0.00 177.43 176.89 2pvn h ALA 256 N 1.65 1.06 0.72 -0.83 0.00 -0.57 0.36 119.26 121.65 2pvn h ALA 256 Ca 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2pvn h ALA 256 Cb 0.74 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pvn h ALA 256 CO -0.57 0.57 -0.38 -0.92 0.00 0.00 0.00 179.25 177.95 2pvn h TYR 257 N 1.15 -1.00 -0.03 0.00 3.20 0.38 -1.23 116.97 119.45 2pvn h TYR 257 Ca 0.29 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.16 2pvn h TYR 257 Cb 0.03 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 2pvn h TYR 257 CO 0.00 -0.60 -0.40 -0.07 -1.64 0.00 0.00 178.16 175.45 2pvn h LEU 258 N -1.02 -1.25 -2.01 2.82 3.38 0.03 -2.06 115.31 115.21 2pvn h LEU 258 Ca -0.10 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.17 2pvn h LEU 258 Cb 0.80 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2pvn h LEU 258 CO 0.14 -0.38 0.44 0.78 0.09 0.00 0.00 178.44 179.51 2pvn h ASN 259 N -0.48 0.00 0.68 -0.43 2.35 -0.90 -0.94 115.58 115.86 2pvn h ASN 259 Ca 0.01 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 2pvn h ASN 259 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 2pvn h ASN 259 CO -0.28 0.00 -0.58 0.50 -1.65 0.00 0.00 177.43 175.42 2pvn h LYS 260 N 0.00 0.00 -0.34 0.81 3.64 -0.49 -3.16 116.57 117.03 2pvn h LYS 260 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2pvn h LYS 260 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2pvn h LYS 260 CO -0.00 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 178.41 2pvn n TYR 261 N -3.73 0.44 -3.54 1.91 4.01 -0.44 -4.98 117.16 110.83 2pvn n TYR 261 Ca -0.01 -0.34 -0.19 0.00 -0.16 0.00 0.00 57.90 57.21 2pvn n TYR 261 Cb 0.60 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.69 2pvn n TYR 261 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pvn n ARG 262 N 0.93 -5.95 -4.21 -0.72 1.74 -0.70 -4.85 116.66 102.90 2pvn n ARG 262 Ca 0.14 0.76 -0.23 0.00 -0.77 0.00 0.00 57.85 57.75 2pvn n ARG 262 Cb 0.47 -5.59 -0.06 0.00 -1.02 0.00 0.00 32.46 26.25 2pvn n ARG 262 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pvn s ILE 263 N -3.48 3.84 -0.05 0.55 1.01 -1.00 -5.04 121.20 117.03 2pvn s ILE 263 Ca 0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 60.65 58.94 2pvn s ILE 263 Cb -0.00 -3.08 0.03 0.00 0.01 0.00 0.00 42.46 39.42 2pvn s ILE 263 CO 0.76 -0.36 0.07 -0.70 0.00 0.00 0.00 174.94 174.72 2pvn s GLU 264 N -3.75 -0.06 0.00 2.79 2.12 -1.26 -4.53 118.70 114.01 2pvn s GLU 264 Ca 0.32 0.40 0.00 0.00 0.36 0.00 0.00 54.97 56.05 2pvn s GLU 264 Cb -0.07 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.86 2pvn s GLU 264 CO 0.22 -0.32 0.00 1.28 -0.54 0.00 0.00 175.26 175.90 2pvn n LEU 265 N 5.25 0.00 -4.35 2.70 4.32 -1.26 -5.05 117.00 118.61 2pvn n LEU 265 Ca -0.04 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.70 2pvn n LEU 265 Cb 0.50 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.18 2pvn n LEU 265 CO 0.06 -1.09 -0.51 -1.81 -1.22 0.00 0.00 177.39 172.82 2pvn s ASP 266 N -1.79 2.89 0.00 -1.43 1.01 -1.26 -4.91 116.67 111.19 2pvn s ASP 266 Ca 0.00 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.46 2pvn s ASP 266 Cb 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.75 2pvn s ASP 266 CO 0.00 0.05 0.41 -2.65 0.21 0.00 0.00 175.17 173.19 2pvn n PRO 267 N 0.59 0.00 -0.27 8.23 -0.02 -1.26 0.12 135.00 142.39 2pvn n PRO 267 Ca -0.15 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 2pvn n PRO 267 Cb 0.55 -0.69 0.18 0.00 -0.02 0.00 0.00 33.50 33.52 2pvn n PRO 267 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2pvn h GLN 268 N 0.00 0.62 0.00 -0.52 3.07 -1.98 0.35 115.11 116.66 2pvn h GLN 268 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2pvn h GLN 268 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.42 2pvn h GLN 268 CO 0.00 0.41 0.00 -0.11 0.09 0.00 0.00 178.83 179.22 2pvn n LEU 269 N -4.85 0.03 -0.38 0.06 0.00 -0.20 0.11 117.00 111.78 2pvn n LEU 269 Ca 0.14 0.86 0.31 0.00 0.00 0.00 0.00 56.01 57.31 2pvn n LEU 269 Cb 0.33 -0.38 0.60 0.00 0.00 0.00 0.00 43.42 43.97 2pvn n LEU 269 CO 0.24 -0.38 1.24 -0.08 0.00 0.00 0.00 177.39 178.41 2pvn h GLU 270 N 0.00 0.21 0.00 1.96 4.81 0.10 1.42 114.58 123.08 2pvn h GLU 270 Ca 0.00 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 2pvn h GLU 270 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2pvn h GLU 270 CO 0.00 0.14 -0.86 0.00 -0.73 0.00 0.00 179.01 177.56 2pvn h ALA 271 N 1.58 0.56 -0.02 2.92 0.00 -0.13 -3.11 119.26 121.06 2pvn h ALA 271 Ca 0.70 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pvn h ALA 271 Cb 2.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2pvn h ALA 271 CO -0.32 0.97 -0.01 1.25 0.00 0.00 0.00 179.25 181.14 2pvn h LEU 272 N 0.06 0.04 -0.29 0.00 6.46 0.95 -3.23 115.31 119.29 2pvn h LEU 272 Ca -0.03 -0.40 0.07 0.00 -0.12 0.00 0.00 57.88 57.40 2pvn h LEU 272 Cb 1.49 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 41.34 2pvn h LEU 272 CO 0.12 0.43 -0.22 0.58 -0.62 0.00 0.00 178.44 178.74 2pvn h VAL 273 N -0.35 0.42 0.00 1.05 2.07 -0.99 -3.48 116.25 114.98 2pvn h VAL 273 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pvn h VAL 273 Cb 0.41 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2pvn h VAL 273 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2pvn n GLY 274 N -1.37 0.27 2.84 2.17 0.00 -1.18 -4.78 105.19 103.15 2pvn n GLY 274 Ca 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 2pvn n GLY 274 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pvn s ARG 275 N 0.00 0.69 0.00 1.61 3.52 -1.26 -4.96 118.95 118.55 2pvn s ARG 275 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 2pvn s ARG 275 Cb 0.00 -0.84 -0.00 0.00 -1.56 0.00 0.00 34.95 32.55 2pvn s ARG 275 CO 0.00 -0.16 -0.00 -1.01 -0.81 0.00 0.00 175.30 173.32 2pvn s HIS 276 N 1.27 0.04 0.65 5.12 3.76 -1.26 -4.99 115.29 119.87 2pvn s HIS 276 Ca -0.06 -0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 2pvn s HIS 276 Cb -0.14 -0.03 -0.02 0.00 1.11 0.00 0.00 32.58 33.51 2pvn s HIS 276 CO -0.02 -0.01 1.05 -1.54 -0.85 0.00 0.00 174.74 173.37 2pvn s SER 277 N -0.08 5.89 0.13 1.40 1.04 -1.26 -1.26 113.70 119.56 2pvn s SER 277 Ca -0.01 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 57.56 2pvn s SER 277 Cb -0.01 -2.42 -0.06 0.00 0.10 0.00 0.00 66.02 63.63 2pvn s SER 277 CO -0.00 -1.09 1.01 -0.60 0.98 0.00 0.00 173.24 173.53 2pvn s ARG 278 N -5.16 4.67 -0.28 4.02 3.52 -1.26 -4.06 118.95 120.39 2pvn s ARG 278 Ca 0.56 1.53 -0.12 0.00 -0.13 0.00 0.00 55.73 57.57 2pvn s ARG 278 Cb -0.12 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 2pvn s ARG 278 CO 0.54 0.17 0.25 0.15 -0.81 0.00 0.00 175.30 175.61 2pvn s LYS 279 N -0.11 3.94 0.60 5.12 -0.14 -0.10 -4.92 119.74 124.12 2pvn s LYS 279 Ca 0.48 -0.23 -0.19 0.00 -1.36 0.00 0.00 55.97 54.67 2pvn s LYS 279 Cb -0.25 -3.67 -0.05 0.00 -1.68 0.00 0.00 37.83 32.18 2pvn s LYS 279 CO 0.31 -0.23 1.04 -2.30 -0.76 0.00 0.00 175.35 173.41 2pvn n PRO 280 N 5.16 1.00 -0.01 -1.68 -0.02 -1.26 -4.79 135.00 133.40 2pvn n PRO 280 Ca -0.12 0.39 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 2pvn n PRO 280 Cb 0.51 -2.24 0.44 0.00 -0.02 0.00 0.00 33.50 32.19 2pvn n PRO 280 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2pvn h TRP 281 N 0.61 0.50 0.00 6.00 4.06 -1.97 -2.08 115.95 123.08 2pvn h TRP 281 Ca -0.49 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.47 2pvn h TRP 281 Cb 1.36 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2pvn h TRP 281 CO 0.39 0.31 0.00 -0.07 -3.56 0.00 0.00 178.44 175.50 2pvn h LEU 282 N 0.53 0.00 0.00 -4.49 3.38 -1.99 -1.93 115.31 110.82 2pvn h LEU 282 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2pvn h LEU 282 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pvn h LEU 282 CO -0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.78 2pvn n LYS 283 N -2.68 0.18 -0.40 1.13 4.76 -0.78 -1.61 118.16 118.76 2pvn n LYS 283 Ca -0.00 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.68 2pvn n LYS 283 Cb 0.18 -1.50 0.26 0.00 -1.84 0.00 0.00 35.03 32.13 2pvn n LYS 283 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2pvn n PHE 284 N -1.26 0.96 -3.60 2.13 3.72 -0.72 -4.95 117.46 113.73 2pvn n PHE 284 Ca 0.06 -0.64 -0.36 0.00 -0.05 0.00 0.00 57.45 56.46 2pvn n PHE 284 Cb 0.09 -0.18 -0.08 0.00 -0.94 0.00 0.00 39.48 38.37 2pvn n PHE 284 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2pvn s MET 285 N -1.77 4.19 0.00 -1.08 1.75 -0.63 -4.90 119.30 116.87 2pvn s MET 285 Ca 0.39 -0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.76 2pvn s MET 285 Cb 0.25 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 34.47 2pvn s MET 285 CO 0.18 0.19 0.00 0.27 -0.65 0.00 0.00 175.02 175.01 2pvn n ASN 286 N 3.79 0.00 -0.51 1.11 0.23 -1.26 -4.98 115.26 113.65 2pvn n ASN 286 Ca -0.13 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.00 2pvn n ASN 286 Cb 0.52 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.24 2pvn n ASN 286 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pvn n ALA 287 N -3.00 2.95 1.01 -2.53 0.00 -1.26 -2.72 120.51 114.95 2pvn n ALA 287 Ca 0.00 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 52.96 2pvn n ALA 287 Cb 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 19.45 18.87 2pvn n ALA 287 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pvn n ASP 288 N 0.30 0.92 0.00 0.00 9.92 -1.26 -4.51 116.55 121.93 2pvn n ASP 288 Ca 0.08 -0.80 0.00 0.00 -0.53 0.00 0.00 54.79 53.54 2pvn n ASP 288 Cb 0.39 0.69 0.00 0.00 -0.64 0.00 0.00 41.12 41.56 2pvn n ASP 288 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2pvn n ASN 289 N -1.36 0.08 -0.54 -2.24 0.23 -1.26 -4.88 115.26 105.30 2pvn n ASN 289 Ca 0.05 -0.09 0.45 0.00 -0.53 0.00 0.00 54.58 54.46 2pvn n ASN 289 Cb 0.34 0.20 0.73 0.00 -2.08 0.00 0.00 39.78 38.97 2pvn n ASN 289 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2pvn h GLN 290 N 0.00 0.00 -0.14 -3.83 4.15 -1.74 0.76 115.11 114.31 2pvn h GLN 290 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2pvn h GLN 290 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2pvn h GLN 290 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 178.83 174.51 2pvn n HIS 291 N -3.79 0.19 -0.11 3.99 1.44 -1.26 -3.76 115.22 111.91 2pvn n HIS 291 Ca 0.37 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 2pvn n HIS 291 Cb 1.80 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.91 2pvn n HIS 291 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2pvn n LEU 292 N -0.02 0.20 -2.80 2.39 4.77 0.26 -4.80 117.00 116.99 2pvn n LEU 292 Ca 0.12 -0.42 -0.39 0.00 -0.03 0.00 0.00 56.01 55.30 2pvn n LEU 292 Cb 0.21 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2pvn n LEU 292 CO 0.09 0.05 1.52 0.52 -1.33 0.00 0.00 177.39 178.24 2pvn n VAL 293 N -0.44 3.59 -0.89 4.08 0.31 -1.14 -4.88 118.33 118.95 2pvn n VAL 293 Ca 0.00 -4.05 -0.30 0.00 -0.01 0.00 0.00 64.34 59.98 2pvn n VAL 293 Cb 0.03 -1.22 0.17 0.00 -0.91 0.00 0.00 33.84 31.90 2pvn n VAL 293 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2pvn s SER 294 N -1.25 2.78 0.25 4.52 1.04 -1.26 -4.73 113.70 115.06 2pvn s SER 294 Ca 0.54 1.74 -0.03 0.00 0.48 0.00 0.00 55.95 58.69 2pvn s SER 294 Cb 0.45 -2.36 0.44 0.00 0.10 0.00 0.00 66.02 64.66 2pvn s SER 294 CO -0.34 -3.11 1.80 -0.65 0.98 0.00 0.00 173.24 171.92 2pvn h PRO 295 N -1.87 0.77 -0.38 4.02 0.11 -1.99 -1.09 132.00 131.56 2pvn h PRO 295 Ca -0.50 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 2pvn h PRO 295 Cb 1.29 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2pvn h PRO 295 CO 0.49 0.51 -0.04 0.93 -0.21 0.00 0.00 178.00 179.68 2pvn h GLU 296 N 0.79 0.62 0.23 1.05 4.39 -1.98 0.10 114.58 119.77 2pvn h GLU 296 Ca 0.42 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2pvn h GLU 296 Cb 0.43 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2pvn h GLU 296 CO -0.27 0.67 -0.11 0.00 -1.16 0.00 0.00 179.01 178.14 2pvn h ALA 297 N 1.38 -0.31 -0.29 3.43 0.00 -1.58 -0.58 119.26 121.30 2pvn h ALA 297 Ca 0.11 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2pvn h ALA 297 Cb 0.43 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2pvn h ALA 297 CO 0.02 -0.59 0.11 0.82 0.00 0.00 0.00 179.25 179.60 2pvn h ILE 298 N -0.48 0.93 -0.85 0.00 1.08 -0.99 0.14 117.51 117.35 2pvn h ILE 298 Ca -0.03 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2pvn h ILE 298 Cb 0.36 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 2pvn h ILE 298 CO 0.05 0.04 0.56 -0.78 -0.69 0.00 0.00 178.15 177.33 2pvn h ASP 299 N 0.24 0.98 -0.27 1.72 3.58 -0.74 0.19 116.42 122.11 2pvn h ASP 299 Ca 0.13 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2pvn h ASP 299 Cb 0.09 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2pvn h ASP 299 CO -0.13 0.71 -0.07 0.15 -2.88 0.00 0.00 179.24 177.02 2pvn h PHE 300 N 1.15 0.60 -0.27 0.28 3.57 -0.64 -2.69 116.94 118.95 2pvn h PHE 300 Ca 0.31 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2pvn h PHE 300 Cb -0.13 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 2pvn h PHE 300 CO -0.01 0.74 0.15 1.25 -2.23 0.00 0.00 178.31 178.20 2pvn h LEU 301 N 0.29 0.34 -2.01 0.59 5.85 -0.33 -2.49 115.31 117.55 2pvn h LEU 301 Ca 0.07 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2pvn h LEU 301 Cb 0.55 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2pvn h LEU 301 CO 0.03 0.33 0.25 -0.78 -0.34 0.00 0.00 178.44 177.93 2pvn h ASP 302 N 0.32 0.00 0.36 1.25 3.58 -0.60 0.12 116.42 121.45 2pvn h ASP 302 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2pvn h ASP 302 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2pvn h ASP 302 CO -0.01 0.00 -0.10 0.29 -2.88 0.00 0.00 179.24 176.53 2pvn n LYS 303 N -4.40 0.69 -0.12 0.28 5.02 -0.95 -3.93 118.16 114.76 2pvn n LYS 303 Ca 0.05 -0.23 -0.23 0.00 -2.02 0.00 0.00 58.31 55.88 2pvn n LYS 303 Cb 0.42 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2pvn n LYS 303 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pvn n LEU 304 N -0.95 2.03 -3.73 -0.35 4.77 0.30 -1.83 117.00 117.23 2pvn n LEU 304 Ca 0.15 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 2pvn n LEU 304 Cb 0.27 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2pvn n LEU 304 CO 0.23 0.60 2.66 0.18 -1.33 0.00 0.00 177.39 179.73 2pvn n LEU 305 N -3.81 6.87 -4.46 2.23 4.77 -0.51 -4.55 117.00 117.54 2pvn n LEU 305 Ca -0.45 -4.16 -0.33 0.00 -0.03 0.00 0.00 56.01 51.04 2pvn n LEU 305 Cb 0.86 -1.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.16 2pvn n LEU 305 CO 0.08 1.13 -0.43 -0.13 -1.33 0.00 0.00 177.39 176.71 2pvn s ARG 306 N 3.07 3.00 0.12 3.23 1.81 -1.26 -4.94 118.95 123.98 2pvn s ARG 306 Ca 0.47 -0.64 -0.30 0.00 -1.72 0.00 0.00 55.73 53.53 2pvn s ARG 306 Cb 0.14 -2.57 -0.08 0.00 -0.45 0.00 0.00 34.95 31.99 2pvn s ARG 306 CO -0.09 0.44 1.59 1.88 -0.68 0.00 0.00 175.30 178.44 2pvn h TYR 307 N 5.97 -1.19 -2.72 -0.53 0.05 -1.92 -3.38 116.97 113.25 2pvn h TYR 307 Ca -0.38 0.04 -0.57 0.00 0.05 0.00 0.00 58.73 57.87 2pvn h TYR 307 Cb 1.18 0.52 -0.03 0.00 1.01 0.00 0.00 36.73 39.42 2pvn h TYR 307 CO 0.52 -0.50 1.19 0.34 -1.05 0.00 0.00 178.16 178.66 2pvn s ASP 308 N -4.78 6.19 0.63 3.88 2.15 -1.26 -4.72 116.67 118.75 2pvn s ASP 308 Ca -0.16 1.52 0.42 0.00 0.43 0.00 0.00 52.55 54.76 2pvn s ASP 308 Cb 0.08 -2.53 2.23 0.00 -0.30 0.00 0.00 42.92 42.41 2pvn s ASP 308 CO 0.64 -1.43 2.28 1.12 -0.17 0.00 0.00 175.17 177.60 2pvn h HIS 309 N 11.58 0.00 0.00 -5.34 2.07 -1.97 -1.27 115.15 120.22 2pvn h HIS 309 Ca -0.34 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.16 2pvn h HIS 309 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 2pvn h HIS 309 CO 0.93 0.00 -0.11 1.96 -3.07 0.00 0.00 177.93 177.64 2pvn h GLN 310 N 0.00 0.00 0.13 5.12 4.20 -1.93 -3.27 115.11 119.36 2pvn h GLN 310 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 2pvn h GLN 310 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2pvn h GLN 310 CO 0.00 0.11 -1.43 0.93 -0.67 0.00 0.00 178.83 177.77 2pvn h GLU 311 N 0.00 0.27 -6.46 1.46 5.08 -1.60 -3.47 114.58 109.85 2pvn h GLU 311 Ca -0.00 -0.45 -0.60 0.00 -1.00 0.00 0.00 59.36 57.30 2pvn h GLU 311 Cb 1.00 0.17 0.12 0.00 0.50 0.00 0.00 28.75 30.54 2pvn h GLU 311 CO 0.01 1.16 -0.01 0.54 -1.00 0.00 0.00 179.01 179.71 2pvn n ARG 312 N -3.49 1.11 -1.25 2.33 1.74 -1.20 -4.92 116.66 110.99 2pvn n ARG 312 Ca -0.14 0.39 -0.35 0.00 -0.77 0.00 0.00 57.85 56.99 2pvn n ARG 312 Cb 1.04 -1.78 0.11 0.00 -1.02 0.00 0.00 32.46 30.81 2pvn n ARG 312 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pvn n LEU 313 N 1.09 4.23 -4.94 0.55 4.77 -0.76 -5.01 117.00 116.92 2pvn n LEU 313 Ca 0.10 0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 56.48 2pvn n LEU 313 Cb 0.35 -1.48 -0.00 0.00 -2.33 0.00 0.00 43.42 39.96 2pvn n LEU 313 CO 0.58 -1.76 0.24 0.42 -1.33 0.00 0.00 177.39 175.54 2pvn s THR 314 N -1.94 4.77 0.24 -5.08 -4.23 -1.26 -4.90 115.64 103.23 2pvn s THR 314 Ca 0.74 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.82 2pvn s THR 314 Cb -0.32 -3.76 0.20 0.00 1.34 0.00 0.00 72.50 69.96 2pvn s THR 314 CO 0.50 -0.54 1.81 0.00 -0.54 0.00 0.00 174.62 175.85 2pvn h ALA 315 N 0.58 1.10 -0.47 3.99 0.00 -1.94 -0.43 119.26 122.08 2pvn h ALA 315 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pvn h ALA 315 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2pvn h ALA 315 CO 0.60 0.10 0.30 1.25 0.00 0.00 0.00 179.25 181.50 2pvn h LEU 316 N 0.78 0.56 -0.52 0.00 5.85 -1.92 -2.89 115.31 117.16 2pvn h LEU 316 Ca 0.37 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.95 2pvn h LEU 316 Cb 0.30 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2pvn h LEU 316 CO -0.23 0.43 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.89 2pvn h GLU 317 N 0.63 0.98 -0.59 1.25 5.08 -1.76 -3.18 114.58 117.00 2pvn h GLU 317 Ca 0.17 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2pvn h GLU 317 Cb -0.03 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 2pvn h GLU 317 CO -0.03 1.03 0.29 0.00 -1.00 0.00 0.00 179.01 179.30 2pvn h ALA 318 N 0.92 0.77 0.00 3.43 0.00 -0.98 -1.22 119.26 122.18 2pvn h ALA 318 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pvn h ALA 318 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pvn h ALA 318 CO 0.04 -0.06 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 2pvn n MET 319 N -4.87 0.12 0.00 0.00 2.81 -1.10 -1.19 117.12 112.89 2pvn n MET 319 Ca 0.07 0.59 0.09 0.00 -1.81 0.00 0.00 57.70 56.63 2pvn n MET 319 Cb 0.17 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 30.79 2pvn n MET 319 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2pvn n THR 320 N -2.14 0.00 -1.73 2.03 -2.24 -0.49 -4.86 114.28 104.86 2pvn n THR 320 Ca -0.01 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 2pvn n THR 320 Cb 0.05 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2pvn n THR 320 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pvn n HIS 321 N -0.33 2.50 0.19 4.78 -0.00 -0.33 -4.83 115.22 117.19 2pvn n HIS 321 Ca 0.07 0.49 0.17 0.00 0.46 0.00 0.00 57.72 58.91 2pvn n HIS 321 Cb 0.35 -2.44 0.66 0.00 -0.12 0.00 0.00 29.99 28.44 2pvn n HIS 321 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2pvn h PRO 322 N 2.51 0.00 -0.78 1.57 0.11 -1.93 -1.92 132.00 131.56 2pvn h PRO 322 Ca -0.48 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.73 2pvn h PRO 322 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2pvn h PRO 322 CO 0.62 0.00 0.51 -0.92 -0.21 0.00 0.00 178.00 178.00 2pvn h TYR 323 N 0.00 0.71 -0.46 0.65 3.20 -1.88 -1.75 116.97 117.45 2pvn h TYR 323 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2pvn h TYR 323 Cb 1.21 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2pvn h TYR 323 CO 0.00 0.32 0.00 1.19 -1.64 0.00 0.00 178.16 178.03 2pvn n PHE 324 N -4.51 0.61 -0.28 -3.82 3.72 -0.72 -4.63 117.46 107.83 2pvn n PHE 324 Ca 0.13 -0.30 0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2pvn n PHE 324 Cb 0.37 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.15 2pvn n PHE 324 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2pvn h GLN 325 N 3.35 0.44 -0.31 -1.08 -0.00 -1.44 -0.15 115.11 115.92 2pvn h GLN 325 Ca 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.53 2pvn h GLN 325 Cb 0.76 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 28.12 2pvn h GLN 325 CO 0.00 0.29 -0.21 0.37 -0.00 0.00 0.00 178.83 179.28 2pvn h GLN 326 N 0.45 0.57 -0.38 0.06 4.15 -1.83 0.15 115.11 118.28 2pvn h GLN 326 Ca 0.48 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 2pvn h GLN 326 Cb 0.79 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2pvn h GLN 326 CO -0.45 0.75 0.03 0.28 -1.93 0.00 0.00 178.83 177.51 2pvn h VAL 327 N 0.51 1.25 -0.05 2.39 2.07 -1.54 0.36 116.25 121.24 2pvn h VAL 327 Ca 0.08 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2pvn h VAL 327 Cb 0.64 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2pvn h VAL 327 CO 0.05 0.31 0.01 0.03 0.02 0.00 0.00 177.57 177.98 2pvn h ARG 328 N 0.48 0.09 -0.70 1.57 3.08 -0.73 -0.81 114.38 117.36 2pvn h ARG 328 Ca 0.11 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.21 2pvn h ARG 328 Cb 0.41 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 2pvn h ARG 328 CO 0.01 0.33 0.46 0.00 -1.07 0.00 0.00 179.97 179.70 2pvn h ALA 329 N 0.76 1.77 0.17 0.04 0.00 -0.65 -0.09 119.26 121.26 2pvn h ALA 329 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pvn h ALA 329 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pvn h ALA 329 CO 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 179.25 179.28 2pvn h ALA 330 N 1.63 -0.23 -0.95 0.00 0.00 -0.47 -2.87 119.26 116.37 2pvn h ALA 330 Ca 0.31 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.27 2pvn h ALA 330 Cb 0.32 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2pvn h ALA 330 CO -0.10 -0.58 0.60 1.49 0.00 0.00 0.00 179.25 180.66 2pvn h GLU 331 N -0.34 0.75 -2.96 0.00 4.81 0.40 -2.92 114.58 114.33 2pvn h GLU 331 Ca -0.02 -0.05 -0.63 0.00 -0.13 0.00 0.00 59.36 58.53 2pvn h GLU 331 Cb 0.27 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.50 2pvn h GLU 331 CO 0.04 0.50 3.55 0.09 -0.73 0.00 0.00 179.01 182.45 2pvn n ASN 332 N -4.61 8.40 0.00 1.04 3.02 -0.46 -5.11 115.26 117.54 2pvn n ASN 332 Ca 0.19 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.19 2pvn n ASN 332 Cb 0.47 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 2pvn n ASN 332 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40