#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vln s GLU 2 N 0.00 2.01 -0.22 0.03 2.02 -1.26 -5.10 118.70 116.18 2vln s GLU 2 Ca 0.00 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 53.73 2vln s GLU 2 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2vln s GLU 2 CO 0.00 0.54 1.15 0.45 0.02 0.00 0.00 175.26 177.42 2vln s SER 3 N -0.78 6.99 0.33 -0.19 0.15 -1.26 -4.91 113.70 114.04 2vln s SER 3 Ca 0.10 1.46 0.04 0.00 0.70 0.00 0.00 55.95 58.25 2vln s SER 3 Cb -0.10 -2.54 0.60 0.00 -1.71 0.00 0.00 66.02 62.27 2vln s SER 3 CO -0.00 -0.76 1.88 0.11 1.20 0.00 0.00 173.24 175.67 2vln h LYS 4 N 7.94 0.55 0.00 5.44 1.57 -1.99 -2.46 116.57 127.63 2vln h LYS 4 Ca -0.23 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2vln h LYS 4 Cb 1.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2vln h LYS 4 CO 0.99 0.56 0.00 2.89 -0.57 0.00 0.00 179.45 183.32 2vln n ARG 5 N -4.29 0.14 -0.28 3.15 1.85 -1.26 -1.83 116.66 114.14 2vln n ARG 5 Ca 0.02 0.43 0.10 0.00 -1.00 0.00 0.00 57.85 57.40 2vln n ARG 5 Cb 0.23 -1.79 0.25 0.00 -1.05 0.00 0.00 32.46 30.11 2vln n ARG 5 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2vln n ASN 6 N -2.05 3.57 -4.66 2.89 3.02 -0.93 -0.64 115.26 116.46 2vln n ASN 6 Ca 0.02 -1.98 -0.28 0.00 -0.03 0.00 0.00 54.58 52.31 2vln n ASN 6 Cb 0.17 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 2vln n ASN 6 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2vln s LYS 7 N -1.10 2.42 0.88 3.52 1.02 -0.76 -4.78 119.74 120.95 2vln s LYS 7 Ca 0.40 -1.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 2vln s LYS 7 Cb 0.22 -2.41 0.12 0.00 -0.52 0.00 0.00 37.83 35.24 2vln s LYS 7 CO 0.29 0.48 1.15 -2.30 -0.92 0.00 0.00 175.35 174.04 2vln n PRO 8 N 0.12 -0.25 -3.85 -1.68 -0.02 -0.98 -4.26 135.00 124.08 2vln n PRO 8 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 2vln n PRO 8 Cb 0.54 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2vln n PRO 8 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2vln s GLY 9 N -2.45 0.15 -0.18 -1.23 0.00 -0.64 -4.97 107.32 98.01 2vln s GLY 9 Ca 0.69 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.98 2vln s GLY 9 CO 0.56 1.42 -0.08 1.25 0.00 0.00 0.00 173.10 176.25 2vln s LYS 10 N -2.34 3.40 0.27 2.90 2.20 -1.26 -0.77 119.74 124.13 2vln s LYS 10 Ca 0.19 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2vln s LYS 10 Cb -0.03 -2.84 -0.10 0.00 -1.51 0.00 0.00 37.83 33.34 2vln s LYS 10 CO 0.07 0.01 1.48 0.00 -0.36 0.00 0.00 175.35 176.54 2vln s ALA 11 N 0.91 3.65 0.28 3.13 0.00 -0.32 -4.74 121.76 124.68 2vln s ALA 11 Ca -0.02 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.36 2vln s ALA 11 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 2vln s ALA 11 CO 0.00 -0.81 0.10 0.95 0.00 0.00 0.00 175.76 176.00 2vln s THR 12 N -0.10 0.60 0.00 0.00 -4.23 -0.71 -0.61 115.64 110.59 2vln s THR 12 Ca 0.60 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2vln s THR 12 Cb -0.43 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2vln s THR 12 CO 0.46 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 2vln n GLY 13 N -0.54 1.19 0.04 3.99 0.00 -1.26 -0.12 105.19 108.49 2vln n GLY 13 Ca -0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 2vln n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vln n LYS 14 N 0.70 1.84 0.00 1.61 5.02 -1.26 -4.80 118.16 121.28 2vln n LYS 14 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2vln n LYS 14 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2vln n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vln n GLY 15 N 2.25 -0.34 3.06 0.72 0.00 -1.26 -4.33 105.19 105.29 2vln n GLY 15 Ca -0.13 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2vln n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vln s LYS 16 N 0.00 0.45 0.26 1.61 -0.14 -0.44 -4.68 119.74 116.80 2vln s LYS 16 Ca 0.00 -0.63 -0.31 0.00 -1.36 0.00 0.00 55.97 53.67 2vln s LYS 16 Cb 0.00 0.17 -0.12 0.00 -1.68 0.00 0.00 37.83 36.21 2vln s LYS 16 CO 0.00 -0.10 1.63 -2.30 -0.76 0.00 0.00 175.35 173.83 2vln n PRO 17 N 1.23 2.69 -4.38 -1.68 -0.02 -1.26 -0.55 135.00 131.03 2vln n PRO 17 Ca -0.22 0.96 -0.19 0.00 -2.02 0.00 0.00 63.50 62.04 2vln n PRO 17 Cb 0.56 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.18 2vln n PRO 17 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2vln s VAL 18 N 0.42 1.20 0.00 -1.45 -7.23 -1.26 -4.92 120.40 107.15 2vln s VAL 18 Ca 0.68 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2vln s VAL 18 Cb -0.51 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2vln s VAL 18 CO 0.43 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2vln n GLY 19 N -0.52 5.67 0.19 2.32 0.00 -1.26 -5.01 105.19 106.60 2vln n GLY 19 Ca -0.04 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2vln n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vln h ASP 20 N 0.00 0.53 -0.18 1.61 3.32 -2.00 -2.66 116.42 117.03 2vln h ASP 20 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2vln h ASP 20 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2vln h ASP 20 CO 0.00 1.01 0.00 0.29 -1.72 0.00 0.00 179.24 178.82 2vln n LYS 21 N -3.91 2.14 -0.23 3.56 4.76 -1.26 -4.62 118.16 118.61 2vln n LYS 21 Ca -0.03 -0.96 0.02 0.00 -2.87 0.00 0.00 58.31 54.46 2vln n LYS 21 Cb 0.64 -1.68 0.11 0.00 -1.84 0.00 0.00 35.03 32.26 2vln n LYS 21 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2vln h TRP 22 N 1.25 -0.17 0.00 2.13 7.01 -1.86 0.42 115.95 124.72 2vln h TRP 22 Ca 0.00 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 2vln h TRP 22 Cb 0.89 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 28.13 2vln h TRP 22 CO 0.32 -0.24 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.61 2vln h LEU 23 N 0.06 0.00 -0.86 0.65 3.38 -1.88 -1.71 115.31 114.95 2vln h LEU 23 Ca 0.35 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 2vln h LEU 23 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2vln h LEU 23 CO -0.64 0.05 0.14 0.44 0.09 0.00 0.00 178.44 178.53 2vln h ASP 24 N 0.00 0.93 0.07 -0.43 3.32 -0.51 -2.25 116.42 117.55 2vln h ASP 24 Ca -0.00 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 2vln h ASP 24 Cb 0.40 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2vln h ASP 24 CO 0.01 0.90 -0.00 0.44 -1.72 0.00 0.00 179.24 178.87 2vln h ASP 25 N 0.94 0.00 0.54 6.45 3.32 -1.01 -2.62 116.42 124.04 2vln h ASP 25 Ca 0.20 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2vln h ASP 25 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2vln h ASP 25 CO 0.00 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2vln h ALA 26 N 2.00 1.00 -0.38 3.45 0.00 -1.42 -2.16 119.26 121.76 2vln h ALA 26 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vln h ALA 26 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2vln h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2vln n GLY 27 N -0.49 1.54 3.44 0.00 0.00 -0.98 -1.75 105.19 106.94 2vln n GLY 27 Ca -0.01 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2vln n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vln s LYS 28 N -1.52 1.59 5.41 1.61 1.02 -0.81 -4.75 119.74 122.29 2vln s LYS 28 Ca 0.38 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.63 2vln s LYS 28 Cb 0.22 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2vln s LYS 28 CO 0.31 0.25 0.00 -0.25 -0.92 0.00 0.00 175.35 174.74 2vln n ASP 29 N -0.57 0.00 -1.71 2.83 8.00 -1.26 -0.33 116.55 123.51 2vln n ASP 29 Ca -0.06 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.39 2vln n ASP 29 Cb 0.61 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.98 2vln n ASP 29 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2vln n SER 30 N 3.91 4.20 0.00 -2.24 7.64 -1.26 -5.02 113.62 120.85 2vln n SER 30 Ca 0.00 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.56 2vln n SER 30 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2vln n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vln n GLY 31 N -0.47 -2.37 3.91 0.23 0.00 0.55 -4.75 105.19 102.29 2vln n GLY 31 Ca 0.39 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2vln n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vln s ALA 32 N -1.12 3.75 0.78 4.61 0.00 0.32 -4.75 121.76 125.35 2vln s ALA 32 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2vln s ALA 32 Cb 0.00 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 21.04 2vln s ALA 32 CO 0.00 0.50 1.11 -1.25 0.00 0.00 0.00 175.76 176.12 2vln s PRO 33 N -3.06 2.24 0.11 0.00 0.04 -1.26 -0.04 135.00 133.04 2vln s PRO 33 Ca 0.41 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.63 2vln s PRO 33 Cb -0.11 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2vln s PRO 33 CO 0.27 -1.48 1.66 0.42 0.04 0.00 0.00 177.00 177.91 2vln s ILE 34 N -3.28 2.78 0.35 0.56 -1.09 -1.25 -4.70 121.20 114.56 2vln s ILE 34 Ca 0.60 0.38 -0.28 0.00 -2.23 0.00 0.00 60.65 59.12 2vln s ILE 34 Cb -0.13 -3.24 -0.12 0.00 -1.58 0.00 0.00 42.46 37.39 2vln s ILE 34 CO 0.53 0.01 1.39 -2.65 -1.23 0.00 0.00 174.94 172.99 2vln n PRO 35 N 5.06 2.38 -0.33 2.79 -0.02 -1.26 -1.33 135.00 142.28 2vln n PRO 35 Ca 0.16 0.83 0.09 0.00 -2.02 0.00 0.00 63.50 62.56 2vln n PRO 35 Cb 0.39 -2.49 0.29 0.00 -0.02 0.00 0.00 33.50 31.67 2vln n PRO 35 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2vln h ASP 36 N 2.90 0.83 0.57 2.55 3.04 -1.01 -0.78 116.42 124.51 2vln h ASP 36 Ca -0.48 0.05 -0.11 0.00 -3.24 0.00 0.00 57.03 53.25 2vln h ASP 36 Cb 1.26 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 39.43 2vln h ASP 36 CO 0.65 0.42 -0.53 0.03 -2.04 0.00 0.00 179.24 177.77 2vln h ARG 37 N 0.88 0.00 -0.18 4.15 3.08 -1.87 0.35 114.38 120.79 2vln h ARG 37 Ca 0.49 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.42 2vln h ARG 37 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2vln h ARG 37 CO -0.26 0.53 -0.39 0.82 -1.07 0.00 0.00 179.97 179.59 2vln h ILE 38 N 0.00 1.34 -0.83 2.04 1.08 -1.57 -2.43 117.51 117.14 2vln h ILE 38 Ca -0.01 -1.64 0.05 0.00 -0.39 0.00 0.00 64.86 62.88 2vln h ILE 38 Cb 0.95 1.93 -0.06 0.00 -3.07 0.00 0.00 36.82 36.58 2vln h ILE 38 CO 0.07 0.50 0.52 0.00 -0.69 0.00 0.00 178.15 178.55 2vln h ALA 39 N 0.57 1.12 -0.64 1.87 0.00 -0.62 -1.04 119.26 120.54 2vln h ALA 39 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2vln h ALA 39 Cb 1.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2vln h ALA 39 CO 0.09 0.29 0.42 -0.44 0.00 0.00 0.00 179.25 179.61 2vln h ASP 40 N 0.97 0.71 0.50 0.00 3.32 -0.21 0.17 116.42 121.87 2vln h ASP 40 Ca 0.35 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.22 2vln h ASP 40 Cb 0.11 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2vln h ASP 40 CO -0.15 0.50 -0.72 0.11 -1.72 0.00 0.00 179.24 177.26 2vln h LYS 41 N 0.83 0.18 0.00 3.56 1.79 -0.73 -3.36 116.57 118.84 2vln h LYS 41 Ca 0.24 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2vln h LYS 41 Cb -0.04 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2vln h LYS 41 CO -0.06 0.82 -1.67 1.28 -1.08 0.00 0.00 179.45 178.74 2vln n LEU 42 N -3.77 0.28 -4.74 2.94 4.77 -0.63 -4.92 117.00 110.93 2vln n LEU 42 Ca -0.02 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2vln n LEU 42 Cb 0.69 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 2vln n LEU 42 CO 0.45 0.01 1.11 -1.14 -1.33 0.00 0.00 177.39 176.50 2vln n ARG 43 N -2.19 2.50 -0.73 3.23 0.63 0.54 -1.83 116.66 118.81 2vln n ARG 43 Ca -0.02 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2vln n ARG 43 Cb 0.53 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.84 2vln n ARG 43 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2vln n ASP 44 N 1.32 0.00 -4.85 6.15 8.00 0.22 -4.98 116.55 122.41 2vln n ASP 44 Ca 0.06 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 2vln n ASP 44 Cb 0.37 -0.87 -0.06 0.00 -0.02 0.00 0.00 41.12 40.53 2vln n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2vln s LYS 45 N -0.33 4.02 -0.09 -1.24 1.02 -0.76 -4.80 119.74 117.57 2vln s LYS 45 Ca 0.00 0.65 -0.12 0.00 0.02 0.00 0.00 55.97 56.52 2vln s LYS 45 Cb 0.00 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 2vln s LYS 45 CO 0.00 0.23 0.29 -2.00 -0.92 0.00 0.00 175.35 172.94 2vln s GLU 46 N -2.75 3.89 0.13 1.68 2.12 -1.26 -1.17 118.70 121.33 2vln s GLU 46 Ca 0.51 0.13 0.11 0.00 0.36 0.00 0.00 54.97 56.08 2vln s GLU 46 Cb -0.12 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2vln s GLU 46 CO 0.18 0.56 -0.26 -0.06 -0.54 0.00 0.00 175.26 175.14 2vln s PHE 47 N -0.52 2.23 -0.03 5.30 0.40 0.05 -4.98 117.98 120.43 2vln s PHE 47 Ca 0.18 -0.39 0.19 0.00 -0.60 0.00 0.00 56.93 56.32 2vln s PHE 47 Cb -0.14 -1.21 0.45 0.00 0.51 0.00 0.00 43.02 42.64 2vln s PHE 47 CO 0.07 0.32 1.62 0.87 0.70 0.00 0.00 175.22 178.80 2vln h LYS 48 N 3.91 0.00 -2.24 0.44 1.57 -1.89 -1.70 116.57 116.66 2vln h LYS 48 Ca -0.50 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.46 2vln h LYS 48 Cb 1.17 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.38 2vln h LYS 48 CO 0.39 0.36 0.52 -1.54 -0.57 0.00 0.00 179.45 178.61 2vln s SER 49 N -6.35 -0.20 0.36 0.86 1.04 -1.26 -2.32 113.70 105.83 2vln s SER 49 Ca 0.02 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.20 2vln s SER 49 Cb 0.09 0.44 0.70 0.00 0.10 0.00 0.00 66.02 67.35 2vln s SER 49 CO 0.70 -0.80 1.94 0.15 0.98 0.00 0.00 173.24 176.21 2vln h PHE 50 N 2.00 0.52 -0.32 5.02 3.57 -1.14 -1.62 116.94 124.98 2vln h PHE 50 Ca -0.24 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 2vln h PHE 50 Cb 1.23 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 2vln h PHE 50 CO 0.36 0.45 -0.11 -0.44 -2.23 0.00 0.00 178.31 176.34 2vln h ASP 51 N 0.51 0.52 -0.39 0.41 3.45 -1.96 0.11 116.42 119.06 2vln h ASP 51 Ca 0.12 -0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.41 2vln h ASP 51 Cb 0.19 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 2vln h ASP 51 CO -0.00 0.66 0.10 0.44 -1.57 0.00 0.00 179.24 178.87 2vln h ASP 52 N 0.49 0.59 -0.66 6.45 3.45 -1.77 -1.74 116.42 123.24 2vln h ASP 52 Ca 0.09 -0.23 0.02 0.00 0.43 0.00 0.00 57.03 57.35 2vln h ASP 52 Cb 0.49 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.07 2vln h ASP 52 CO 0.03 0.66 0.42 0.15 -1.57 0.00 0.00 179.24 178.92 2vln h PHE 53 N 0.49 0.78 -0.43 4.55 3.57 -0.72 -1.56 116.94 123.61 2vln h PHE 53 Ca 0.12 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2vln h PHE 53 Cb 0.30 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2vln h PHE 53 CO 0.02 0.46 0.28 -0.09 -2.23 0.00 0.00 178.31 176.74 2vln h ARG 54 N 0.83 0.55 -0.92 1.11 2.43 -0.49 -0.71 114.38 117.18 2vln h ARG 54 Ca 0.26 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2vln h ARG 54 Cb -0.02 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.35 2vln h ARG 54 CO -0.09 0.37 0.59 -0.22 -1.51 0.00 0.00 179.97 179.11 2vln h LYS 55 N 0.57 1.09 -0.57 0.20 1.63 -1.07 -2.33 116.57 116.09 2vln h LYS 55 Ca 0.16 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2vln h LYS 55 Cb -0.05 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.31 2vln h LYS 55 CO -0.04 0.72 0.25 0.00 -3.45 0.00 0.00 179.45 176.93 2vln h ALA 56 N 1.39 1.37 -0.07 5.00 0.00 -0.41 -0.52 119.26 126.01 2vln h ALA 56 Ca 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2vln h ALA 56 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2vln h ALA 56 CO -0.13 0.48 0.04 0.28 0.00 0.00 0.00 179.25 179.92 2vln h VAL 57 N 0.81 1.05 -0.12 0.00 2.07 -0.65 0.76 116.25 120.16 2vln h VAL 57 Ca 0.20 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 2vln h VAL 57 Cb 0.12 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2vln h VAL 57 CO -0.02 0.04 -0.54 -0.50 0.02 0.00 0.00 177.57 176.57 2vln h TRP 58 N 0.06 0.44 -0.60 1.57 4.06 -1.08 -0.82 115.95 119.58 2vln h TRP 58 Ca 0.03 -0.15 0.01 0.00 2.06 0.00 0.00 58.89 60.84 2vln h TRP 58 Cb 0.03 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 2vln h TRP 58 CO -0.06 0.81 0.39 0.93 -3.56 0.00 0.00 178.44 176.95 2vln h GLU 59 N 0.27 0.76 -0.53 0.49 5.08 -0.85 -1.22 114.58 118.59 2vln h GLU 59 Ca 0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2vln h GLU 59 Cb 1.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2vln h GLU 59 CO 0.09 0.51 0.08 0.93 -1.00 0.00 0.00 179.01 179.62 2vln h GLU 60 N 0.79 0.84 -0.66 2.33 4.39 -0.27 -2.19 114.58 119.81 2vln h GLU 60 Ca 0.23 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.76 2vln h GLU 60 Cb -0.06 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.43 2vln h GLU 60 CO -0.06 0.79 0.41 0.28 -1.16 0.00 0.00 179.01 179.26 2vln h VAL 61 N 0.80 1.09 -0.02 3.13 2.07 -0.68 -1.77 116.25 120.86 2vln h VAL 61 Ca 0.17 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2vln h VAL 61 Cb 0.36 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2vln h VAL 61 CO 0.01 0.15 -0.05 0.77 0.02 0.00 0.00 177.57 178.47 2vln h SER 62 N 0.81 0.02 0.62 0.57 4.64 -0.62 -2.34 113.55 117.25 2vln h SER 62 Ca 0.27 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2vln h SER 62 Cb 0.02 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2vln h SER 62 CO -0.11 0.07 -0.48 0.29 -0.87 0.00 0.00 176.83 175.74 2vln n LYS 63 N -4.47 0.06 -3.51 4.77 5.02 -0.72 -4.78 118.16 114.53 2vln n LYS 63 Ca -0.03 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 2vln n LYS 63 Cb 0.14 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 2vln n LYS 63 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2vln s ASP 64 N -3.25 6.07 0.25 4.39 2.15 -0.87 -4.97 116.67 120.46 2vln s ASP 64 Ca 0.10 -0.51 -0.05 0.00 0.43 0.00 0.00 52.55 52.52 2vln s ASP 64 Cb 0.17 -2.14 0.31 0.00 -0.30 0.00 0.00 42.92 40.95 2vln s ASP 64 CO 0.69 -0.28 1.90 -0.65 -0.17 0.00 0.00 175.17 176.66 2vln h PRO 65 N 8.52 1.21 -0.32 4.34 0.11 -1.86 -2.39 132.00 141.60 2vln h PRO 65 Ca -0.30 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2vln h PRO 65 Cb 1.15 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2vln h PRO 65 CO 0.65 0.80 -0.39 0.93 -0.21 0.00 0.00 178.00 179.78 2vln h GLU 66 N 1.24 0.77 0.00 1.05 4.39 -1.93 -2.28 114.58 117.83 2vln h GLU 66 Ca 0.38 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2vln h GLU 66 Cb -0.02 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2vln h GLU 66 CO -0.12 1.03 0.00 -0.07 -1.16 0.00 0.00 179.01 178.69 2vln h LEU 67 N 0.63 0.00 -0.28 1.33 3.38 -1.73 -3.13 115.31 115.52 2vln h LEU 67 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vln h LEU 67 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2vln h LEU 67 CO 0.09 0.00 -0.55 -1.54 0.09 0.00 0.00 178.44 176.52 2vln n SER 68 N -2.54 0.95 -0.29 -0.43 3.41 -1.01 -4.67 113.62 109.04 2vln n SER 68 Ca 0.05 -0.98 0.05 0.00 -0.26 0.00 0.00 58.87 57.73 2vln n SER 68 Cb 0.46 0.83 0.14 0.00 -0.26 0.00 0.00 64.21 65.37 2vln n SER 68 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2vln h LYS 69 N 0.54 0.02 -1.07 4.33 3.64 -1.35 -0.60 116.57 122.09 2vln h LYS 69 Ca 0.00 -0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 2vln h LYS 69 Cb 0.39 -0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 31.88 2vln h LYS 69 CO 0.00 0.02 0.49 0.27 -2.27 0.00 0.00 179.45 177.95 2vln n ASN 70 N -5.49 7.01 -4.84 4.20 6.94 -1.26 -4.85 115.26 116.97 2vln n ASN 70 Ca 0.14 -3.78 -0.38 0.00 -0.02 0.00 0.00 54.58 50.53 2vln n ASN 70 Cb 0.47 -0.84 -0.06 0.00 -2.36 0.00 0.00 39.78 36.99 2vln n ASN 70 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2vln s LEU 71 N -3.80 4.44 0.69 -4.53 1.02 -0.23 -5.12 118.68 111.15 2vln s LEU 71 Ca 0.60 0.83 -0.11 0.00 0.02 0.00 0.00 54.13 55.46 2vln s LEU 71 Cb 0.48 -2.46 0.01 0.00 0.02 0.00 0.00 46.19 44.23 2vln s LEU 71 CO -0.05 0.33 1.07 0.54 0.02 0.00 0.00 176.35 178.26 2vln s ASN 72 N -0.94 5.52 0.37 2.29 4.22 -1.26 -4.72 114.94 120.41 2vln s ASN 72 Ca 0.21 1.30 0.15 0.00 -2.14 0.00 0.00 52.86 52.38 2vln s ASN 72 Cb -0.15 -2.17 1.00 0.00 1.28 0.00 0.00 41.25 41.20 2vln s ASN 72 CO 0.11 -1.31 1.79 -0.65 -2.04 0.00 0.00 177.10 174.99 2vln h PRO 73 N -0.63 0.49 -0.51 3.55 0.11 -1.98 0.15 132.00 133.17 2vln h PRO 73 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2vln h PRO 73 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2vln h PRO 73 CO 0.62 0.32 -0.08 0.77 -0.21 0.00 0.00 178.00 179.42 2vln h SER 74 N 0.50 0.94 -0.88 -2.05 0.02 -2.00 -1.11 113.55 108.97 2vln h SER 74 Ca 0.57 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2vln h SER 74 Cb 1.27 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 2vln h SER 74 CO -0.31 1.07 0.49 0.00 -1.14 0.00 0.00 176.83 176.94 2vln h ALA 75 N 0.91 1.13 -0.65 3.77 0.00 -1.41 -2.34 119.26 120.68 2vln h ALA 75 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2vln h ALA 75 Cb 0.63 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2vln h ALA 75 CO 0.04 0.64 0.27 0.87 0.00 0.00 0.00 179.25 181.07 2vln h LYS 76 N 1.24 0.95 -0.66 0.00 1.57 -0.48 -0.65 116.57 118.53 2vln h LYS 76 Ca 0.31 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2vln h LYS 76 Cb 0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2vln h LYS 76 CO -0.05 0.76 0.27 0.77 -0.57 0.00 0.00 179.45 180.63 2vln h SER 77 N 0.93 0.88 -0.04 0.86 0.02 -0.69 -1.61 113.55 113.90 2vln h SER 77 Ca 0.22 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2vln h SER 77 Cb 0.16 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2vln h SER 77 CO -0.02 0.79 -0.03 -1.28 -1.14 0.00 0.00 176.83 175.14 2vln h SER 78 N 0.95 0.10 0.68 3.07 0.87 -0.95 -3.19 113.55 115.09 2vln h SER 78 Ca 0.23 -0.46 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 2vln h SER 78 Cb 0.17 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2vln h SER 78 CO -0.02 0.54 -0.23 -0.37 -0.53 0.00 0.00 176.83 176.21 2vln h VAL 79 N -0.34 0.68 0.00 2.23 -1.51 -0.97 -1.77 116.25 114.57 2vln h VAL 79 Ca 0.01 -1.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.44 2vln h VAL 79 Cb 0.51 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2vln h VAL 79 CO 0.01 0.23 -0.05 0.77 -1.23 0.00 0.00 177.57 177.30 2vln h SER 80 N 0.00 0.00 -0.13 4.19 4.64 -1.28 0.13 113.55 121.10 2vln h SER 80 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vln h SER 80 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2vln h SER 80 CO 0.03 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 2vln n LYS 81 N -3.32 1.88 -0.71 4.77 5.02 -0.69 -4.93 118.16 120.17 2vln n LYS 81 Ca -0.02 -1.30 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 2vln n LYS 81 Cb 0.20 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2vln n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vln n GLY 82 N 1.22 0.75 3.80 0.72 0.00 0.46 -4.99 105.19 107.16 2vln n GLY 82 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2vln n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vln s TYR 83 N -2.70 3.44 0.28 1.61 2.02 -1.05 -4.41 117.35 116.54 2vln s TYR 83 Ca 0.00 1.67 -0.29 0.00 -0.37 0.00 0.00 57.07 58.08 2vln s TYR 83 Cb 0.00 -2.89 -0.09 0.00 -0.40 0.00 0.00 41.96 38.58 2vln s TYR 83 CO 0.00 -0.02 1.13 0.45 -1.57 0.00 0.00 175.55 175.55 2vln s SER 84 N -1.96 7.19 0.61 2.29 0.15 -1.26 -3.92 113.70 116.79 2vln s SER 84 Ca 0.58 2.32 -0.15 0.00 0.70 0.00 0.00 55.95 59.40 2vln s SER 84 Cb -0.13 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.52 2vln s SER 84 CO 0.17 -0.21 1.05 -2.16 1.20 0.00 0.00 173.24 173.29 2vln s PRO 85 N -1.37 3.32 0.33 5.44 0.04 -1.26 -4.72 135.00 136.78 2vln s PRO 85 Ca 0.46 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 2vln s PRO 85 Cb -0.33 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 2vln s PRO 85 CO 0.42 -0.80 1.21 -0.06 0.04 0.00 0.00 177.00 177.81 2vln s PHE 86 N -2.62 3.24 0.69 0.56 0.40 -1.26 -1.65 117.98 117.34 2vln s PHE 86 Ca 0.62 1.54 -0.09 0.00 -0.60 0.00 0.00 56.93 58.40 2vln s PHE 86 Cb -0.15 -3.49 0.04 0.00 0.51 0.00 0.00 43.02 39.93 2vln s PHE 86 CO 0.40 -1.30 1.03 0.95 0.70 0.00 0.00 175.22 177.00 2vln s THR 87 N -1.20 2.89 0.55 0.64 -4.23 -0.33 -4.84 115.64 109.12 2vln s THR 87 Ca 0.49 0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 60.83 2vln s THR 87 Cb -0.35 -3.24 -0.07 0.00 1.34 0.00 0.00 72.50 70.18 2vln s THR 87 CO 0.46 -0.28 0.97 -2.65 -0.54 0.00 0.00 174.62 172.59 2vln n PRO 88 N -2.92 1.06 -0.32 3.99 -0.02 -1.26 -4.86 135.00 130.66 2vln n PRO 88 Ca 0.07 0.40 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 2vln n PRO 88 Cb 0.59 -2.13 0.34 0.00 -0.02 0.00 0.00 33.50 32.29 2vln n PRO 88 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2vln h LYS 89 N 0.84 0.48 0.00 -0.52 3.64 -1.96 -0.60 116.57 118.45 2vln h LYS 89 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2vln h LYS 89 Cb 1.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2vln h LYS 89 CO 0.53 0.32 0.00 0.27 -2.27 0.00 0.00 179.45 178.30 2vln n ASN 90 N -4.96 0.00 -0.49 4.20 0.23 -1.26 -1.79 115.26 111.18 2vln n ASN 90 Ca 0.24 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.35 2vln n ASN 90 Cb 0.69 -0.26 0.06 0.00 -2.08 0.00 0.00 39.78 38.20 2vln n ASN 90 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vln n GLN 91 N -1.26 0.89 -2.56 -3.83 1.13 -0.24 -4.97 117.38 106.55 2vln n GLN 91 Ca 0.08 -1.30 -0.30 0.00 -1.94 0.00 0.00 57.00 53.53 2vln n GLN 91 Cb 0.12 -1.23 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 2vln n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2vln s GLN 92 N -0.97 3.76 -0.25 -1.09 -0.21 -0.74 -1.43 119.66 118.72 2vln s GLN 92 Ca 0.15 0.60 -0.02 0.00 0.02 0.00 0.00 55.36 56.10 2vln s GLN 92 Cb 0.10 -2.28 0.08 0.00 1.00 0.00 0.00 33.01 31.91 2vln s GLN 92 CO 0.15 -0.20 0.07 0.08 -2.12 0.00 0.00 175.29 173.26 2vln s VAL 93 N -2.61 0.63 0.00 1.09 1.01 0.03 -4.67 120.40 115.88 2vln s VAL 93 Ca 0.53 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2vln s VAL 93 Cb -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2vln s VAL 93 CO 0.37 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2vln n GLY 94 N 4.98 3.44 0.20 4.51 0.00 -1.26 -0.68 105.19 116.38 2vln n GLY 94 Ca -0.06 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.97 2vln n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vln n GLY 95 N 0.00 -0.53 3.40 -0.02 0.00 -1.26 -4.62 105.19 102.16 2vln n GLY 95 Ca 0.00 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 2vln n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vln s ARG 96 N -1.93 3.07 0.00 1.61 0.52 0.14 -4.86 118.95 117.50 2vln s ARG 96 Ca 0.31 -1.17 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 2vln s ARG 96 Cb 0.15 -4.25 0.01 0.00 0.52 0.00 0.00 34.95 31.38 2vln s ARG 96 CO 0.25 -1.60 0.44 1.63 0.02 0.00 0.00 175.30 176.04 2vln n LYS 97 N 6.69 0.92 -4.45 3.54 5.02 -1.26 -0.79 118.16 127.84 2vln n LYS 97 Ca -0.08 -0.47 -0.22 0.00 -2.02 0.00 0.00 58.31 55.52 2vln n LYS 97 Cb 0.43 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 34.41 2vln n LYS 97 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2vln s VAL 98 N -0.38 1.98 0.41 -0.18 -7.23 -1.26 -1.18 120.40 112.55 2vln s VAL 98 Ca 0.02 -2.22 -0.27 0.00 -1.81 0.00 0.00 61.98 57.70 2vln s VAL 98 Cb 0.01 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.48 2vln s VAL 98 CO 0.03 -0.36 1.42 -0.31 -0.31 0.00 0.00 175.10 175.58 2vln s TYR 99 N -2.80 2.61 -0.01 2.82 1.51 -0.66 -4.32 117.35 116.50 2vln s TYR 99 Ca 0.29 1.26 0.04 0.00 -1.01 0.00 0.00 57.07 57.65 2vln s TYR 99 Cb 0.01 -3.90 -0.03 0.00 -0.11 0.00 0.00 41.96 37.92 2vln s TYR 99 CO 0.13 -2.74 -0.11 -1.21 -1.11 0.00 0.00 175.55 170.50 2vln s GLU 100 N -2.23 2.46 -0.26 -0.62 2.02 0.24 -4.81 118.70 115.50 2vln s GLU 100 Ca 0.56 -0.75 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 2vln s GLU 100 Cb -0.44 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 2vln s GLU 100 CO 0.58 0.60 0.23 -0.51 0.02 0.00 0.00 175.26 176.18 2vln s LEU 101 N -1.21 4.06 0.15 1.80 1.43 -1.26 -0.47 118.68 123.19 2vln s LEU 101 Ca 0.15 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 2vln s LEU 101 Cb -0.11 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2vln s LEU 101 CO 0.05 -0.04 -0.16 -1.00 0.23 0.00 0.00 176.35 175.42 2vln s HIS 102 N 1.57 1.65 -0.10 0.29 3.76 0.00 -4.95 115.29 117.51 2vln s HIS 102 Ca 0.10 -0.51 -0.19 0.00 -0.15 0.00 0.00 55.06 54.31 2vln s HIS 102 Cb -0.15 -0.83 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 2vln s HIS 102 CO 0.09 0.26 0.50 -1.01 -0.85 0.00 0.00 174.74 173.73 2vln s HIS 103 N -2.17 3.53 -0.04 1.40 3.76 -1.26 -0.83 115.29 119.69 2vln s HIS 103 Ca 0.14 0.94 -0.17 0.00 -0.15 0.00 0.00 55.06 55.82 2vln s HIS 103 Cb -0.05 -2.57 -0.11 0.00 1.11 0.00 0.00 32.58 30.96 2vln s HIS 103 CO 0.05 0.18 0.71 0.22 -0.85 0.00 0.00 174.74 175.05 2vln h ASP 104 N 6.62 -0.36 -3.31 1.40 3.58 -1.02 -3.39 116.42 119.93 2vln h ASP 104 Ca -0.42 -0.10 -0.60 0.00 0.42 0.00 0.00 57.03 56.33 2vln h ASP 104 Cb 1.18 0.09 -0.09 0.00 1.72 0.00 0.00 39.33 42.24 2vln h ASP 104 CO 0.75 0.11 0.44 -0.75 -2.88 0.00 0.00 179.24 176.90 2vln s LYS 105 N -3.36 4.16 0.47 0.28 2.20 -1.26 -5.02 119.74 117.21 2vln s LYS 105 Ca -0.09 0.88 -0.24 0.00 -0.36 0.00 0.00 55.97 56.16 2vln s LYS 105 Cb 0.01 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2vln s LYS 105 CO 0.32 -0.52 1.29 -2.30 -0.36 0.00 0.00 175.35 173.78 2vln n PRO 106 N 5.99 1.85 -0.36 4.03 -0.02 -1.26 -4.02 135.00 141.21 2vln n PRO 106 Ca 0.05 0.66 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 2vln n PRO 106 Cb 0.48 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.69 2vln n PRO 106 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2vln h ILE 107 N 1.86 1.14 0.00 4.25 2.04 -1.92 -0.58 117.51 124.29 2vln h ILE 107 Ca -0.49 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2vln h ILE 107 Cb 1.30 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2vln h ILE 107 CO 0.59 0.22 0.00 0.77 0.00 0.00 0.00 178.15 179.73 2vln h SER 108 N 1.20 0.00 -0.20 1.72 4.64 -1.90 -2.05 113.55 116.96 2vln h SER 108 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2vln h SER 108 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2vln h SER 108 CO -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.82 2vln n GLN 109 N -2.33 2.58 0.00 4.77 1.13 -0.51 -4.94 117.38 118.09 2vln n GLN 109 Ca -0.00 -2.56 0.00 0.00 -1.94 0.00 0.00 57.00 52.50 2vln n GLN 109 Cb 0.12 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2vln n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vln n GLY 110 N -0.53 0.74 3.77 1.08 0.00 -0.77 -4.87 105.19 104.61 2vln n GLY 110 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2vln n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vln s GLY 111 N -1.14 2.86 0.36 -0.02 0.00 -0.34 -4.97 107.32 104.07 2vln s GLY 111 Ca 0.00 0.77 -0.14 0.00 0.00 0.00 0.00 44.72 45.35 2vln s GLY 111 CO 0.00 1.26 0.77 -0.54 0.00 0.00 0.00 173.10 174.58 2vln s GLU 112 N -2.11 3.94 0.00 2.90 2.02 -1.26 -4.18 118.70 120.01 2vln s GLU 112 Ca 0.53 0.64 -0.21 0.00 0.02 0.00 0.00 54.97 55.96 2vln s GLU 112 Cb -0.25 -2.39 -0.22 0.00 0.10 0.00 0.00 34.13 31.37 2vln s GLU 112 CO 0.32 0.07 1.12 0.28 0.02 0.00 0.00 175.26 177.07 2vln h VAL 113 N 1.64 1.44 -0.33 2.63 2.07 -1.95 -3.34 116.25 118.41 2vln h VAL 113 Ca -0.48 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2vln h VAL 113 Cb 1.18 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2vln h VAL 113 CO 0.64 0.56 0.00 -1.22 0.02 0.00 0.00 177.57 177.58 2vln n TYR 114 N -4.31 0.67 -2.46 1.57 4.02 -1.26 -4.92 117.16 110.47 2vln n TYR 114 Ca -0.10 -0.64 -0.42 0.00 -0.01 0.00 0.00 57.90 56.74 2vln n TYR 114 Cb 0.60 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.76 2vln n TYR 114 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2vln s ASP 115 N -1.33 6.21 0.49 7.72 2.15 -1.25 -1.74 116.67 128.92 2vln s ASP 115 Ca 0.31 0.14 0.33 0.00 0.43 0.00 0.00 52.55 53.76 2vln s ASP 115 Cb 0.21 -2.55 1.68 0.00 -0.30 0.00 0.00 42.92 41.96 2vln s ASP 115 CO 0.14 -1.67 2.00 0.24 -0.17 0.00 0.00 175.17 175.71 2vln h MET 116 N 10.54 0.00 -0.00 4.34 2.86 -0.85 0.21 114.93 132.02 2vln h MET 116 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2vln h MET 116 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2vln h MET 116 CO 1.19 0.00 -0.06 -0.25 1.06 0.00 0.00 176.91 178.85 2vln n ASP 117 N -2.72 0.16 -0.95 1.22 8.00 -1.26 -3.41 116.55 117.60 2vln n ASP 117 Ca -0.01 -0.17 0.08 0.00 0.71 0.00 0.00 54.79 55.40 2vln n ASP 117 Cb 0.12 -0.23 0.23 0.00 -0.02 0.00 0.00 41.12 41.22 2vln n ASP 117 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vln n ASN 118 N -1.24 3.45 -4.48 -2.24 5.15 0.72 -4.97 115.26 111.65 2vln n ASN 118 Ca 0.13 -2.09 -0.32 0.00 -0.60 0.00 0.00 54.58 51.70 2vln n ASN 118 Cb 0.27 -0.36 -0.13 0.00 -0.53 0.00 0.00 39.78 39.04 2vln n ASN 118 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2vln s ILE 119 N -1.16 2.99 0.06 -1.44 1.01 -1.20 -0.31 121.20 121.14 2vln s ILE 119 Ca 0.34 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2vln s ILE 119 Cb 0.19 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 2vln s ILE 119 CO 0.22 0.46 -0.13 -0.13 0.00 0.00 0.00 174.94 175.35 2vln s ARG 120 N -1.12 0.81 -0.30 2.79 1.81 -0.01 -3.93 118.95 119.00 2vln s ARG 120 Ca 0.14 -0.85 -0.11 0.00 -1.72 0.00 0.00 55.73 53.18 2vln s ARG 120 Cb -0.11 -0.79 -0.03 0.00 -0.45 0.00 0.00 34.95 33.57 2vln s ARG 120 CO 0.03 0.18 0.19 0.08 -0.68 0.00 0.00 175.30 175.10 2vln s VAL 121 N -1.13 5.14 0.17 3.52 1.01 0.95 -0.82 120.40 129.23 2vln s VAL 121 Ca -0.02 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.01 2vln s VAL 121 Cb -0.09 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2vln s VAL 121 CO 0.02 0.17 -0.17 0.42 0.00 0.00 0.00 175.10 175.54 2vln s THR 122 N 1.72 1.72 0.73 3.92 -4.23 0.38 -0.52 115.64 119.36 2vln s THR 122 Ca 0.06 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 2vln s THR 122 Cb -0.16 -1.85 0.03 0.00 1.34 0.00 0.00 72.50 71.85 2vln s THR 122 CO 0.10 -0.41 1.08 0.42 -0.54 0.00 0.00 174.62 175.27 2vln s THR 123 N -2.32 3.60 0.27 3.99 -4.23 -0.72 -0.59 115.64 115.64 2vln s THR 123 Ca 0.17 0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 2vln s THR 123 Cb -0.04 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 70.92 2vln s THR 123 CO 0.06 -0.65 1.79 -0.65 -0.54 0.00 0.00 174.62 174.63 2vln h PRO 124 N -0.81 0.74 -0.11 3.99 0.11 -1.75 -0.81 132.00 133.36 2vln h PRO 124 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2vln h PRO 124 Cb 1.22 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2vln h PRO 124 CO 0.54 0.49 0.04 -0.22 -0.21 0.00 0.00 178.00 178.64 2vln h LYS 125 N 0.77 0.18 -0.47 1.05 3.64 -1.52 -0.79 116.57 119.43 2vln h LYS 125 Ca 0.47 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.74 2vln h LYS 125 Cb 0.57 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2vln h LYS 125 CO -0.31 0.30 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.06 2vln h ARG 126 N 0.01 0.80 -0.58 1.90 9.65 -1.73 -0.80 114.38 123.63 2vln h ARG 126 Ca 0.04 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 2vln h ARG 126 Cb 0.20 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 2vln h ARG 126 CO -0.00 0.82 0.31 1.25 2.80 0.00 0.00 179.97 185.14 2vln h HIS 127 N 0.74 0.81 -0.29 2.20 2.76 -0.81 -1.29 115.15 119.28 2vln h HIS 127 Ca 0.14 -0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.19 2vln h HIS 127 Cb 0.48 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2vln h HIS 127 CO 0.03 0.60 -0.24 0.82 -1.30 0.00 0.00 177.93 177.84 2vln h ILE 128 N 0.79 1.27 -0.45 6.26 2.04 -0.75 0.44 117.51 127.11 2vln h ILE 128 Ca 0.20 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 2vln h ILE 128 Cb 0.07 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2vln h ILE 128 CO -0.03 0.41 -0.16 0.44 0.00 0.00 0.00 178.15 178.81 2vln h ASP 129 N 0.48 0.92 -0.18 1.72 3.45 -0.87 -0.41 116.42 121.53 2vln h ASP 129 Ca 0.07 -0.38 -0.02 0.00 0.43 0.00 0.00 57.03 57.13 2vln h ASP 129 Cb 0.67 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 2vln h ASP 129 CO 0.05 1.09 0.04 0.40 -1.57 0.00 0.00 179.24 179.25 2vln h ILE 130 N 0.74 1.21 -0.82 0.35 2.04 -1.07 -2.98 117.51 116.98 2vln h ILE 130 Ca 0.11 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2vln h ILE 130 Cb 0.72 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2vln h ILE 130 CO 0.05 0.20 0.41 -0.74 0.00 0.00 0.00 178.15 178.08 2vln h HIS 131 N 0.09 1.15 0.00 1.37 2.76 -0.64 -2.37 115.15 117.51 2vln h HIS 131 Ca 0.05 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2vln h HIS 131 Cb 0.28 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2vln h HIS 131 CO 0.01 0.82 0.00 0.00 -1.30 0.00 0.00 177.93 177.47 2vln h ARG 132 N 1.16 0.00 -0.01 5.26 3.08 -1.02 -2.40 114.38 120.45 2vln h ARG 132 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2vln h ARG 132 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2vln h ARG 132 CO -0.04 0.00 -0.33 0.41 -1.07 0.00 0.00 179.97 178.94 2vln n GLY 133 N 0.29 -0.76 0.00 0.04 0.00 -0.90 -5.10 105.19 98.76 2vln n GLY 133 Ca 0.03 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.74 2vln n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60