#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk0 n ALA 2 N 0.00 1.30 -2.66 -0.43 0.00 -1.26 -4.97 120.51 112.50 1vk0 n ALA 2 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1vk0 n ALA 2 Cb 0.00 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 1vk0 n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vk0 s SER 3 N 1.79 0.07 -1.29 0.00 1.04 -1.26 -5.06 113.70 109.00 1vk0 s SER 3 Ca 0.82 -0.82 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 1vk0 s SER 3 Cb -0.67 0.41 0.13 0.00 0.10 0.00 0.00 66.02 65.99 1vk0 s SER 3 CO 0.41 -0.84 1.75 0.49 0.98 0.00 0.00 173.24 176.03 1vk0 n PHE 4 N -0.17 4.05 -0.92 5.02 0.99 -1.26 -4.79 117.46 120.38 1vk0 n PHE 4 Ca -0.09 -3.03 -0.10 0.00 -0.00 0.00 0.00 57.45 54.22 1vk0 n PHE 4 Cb 0.63 -2.24 0.25 0.00 -1.00 0.00 0.00 39.48 37.12 1vk0 n PHE 4 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1vk0 n ASP 5 N 5.60 4.38 -1.97 4.37 3.85 -1.22 -4.19 116.55 127.37 1vk0 n ASP 5 Ca 0.42 -3.22 0.00 0.00 -0.71 0.00 0.00 54.79 51.28 1vk0 n ASP 5 Cb 0.41 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 1vk0 n ASP 5 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vk0 n GLY 6 N -0.36 0.26 3.62 6.12 0.00 -0.21 -5.00 105.19 109.63 1vk0 n GLY 6 Ca 0.43 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 1vk0 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vk0 n PRO 7 N -0.93 1.30 -4.42 1.61 -0.02 -1.26 -4.43 135.00 126.85 1vk0 n PRO 7 Ca 0.00 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 1vk0 n PRO 7 Cb 0.00 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 1vk0 n PRO 7 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1vk0 s LYS 8 N -2.23 2.75 0.03 -0.52 2.20 -1.26 -2.48 119.74 118.22 1vk0 s LYS 8 Ca 0.66 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.74 1vk0 s LYS 8 Cb -0.51 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 1vk0 s LYS 8 CO 0.54 0.64 -0.17 -0.06 -0.36 0.00 0.00 175.35 175.95 1vk0 s PHE 9 N -0.97 1.48 0.51 4.03 0.08 -0.25 -4.94 117.98 117.93 1vk0 s PHE 9 Ca 0.16 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.95 1vk0 s PHE 9 Cb -0.11 -0.90 0.08 0.00 -0.57 0.00 0.00 43.02 41.53 1vk0 s PHE 9 CO 0.06 0.04 0.70 1.17 -0.10 0.00 0.00 175.22 177.10 1vk0 n LYS 10 N 2.05 0.65 0.05 0.44 4.81 -1.26 0.08 118.16 124.97 1vk0 n LYS 10 Ca -0.17 -2.78 -0.00 0.00 -0.87 0.00 0.00 58.31 54.49 1vk0 n LYS 10 Cb 0.54 -0.20 -0.07 0.00 0.02 0.00 0.00 35.03 35.32 1vk0 n LYS 10 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1vk0 h THR 12 N 0.10 0.61 -0.08 3.15 1.35 -1.90 -3.47 112.91 112.67 1vk0 h THR 12 Ca -0.24 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1vk0 h THR 12 Cb 1.11 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1vk0 h THR 12 CO 0.35 0.35 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1vk0 n ASP 13 N -2.96 1.03 0.00 5.36 5.75 -1.26 -4.93 116.55 119.54 1vk0 n ASP 13 Ca -0.08 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1vk0 n ASP 13 Cb 0.84 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 1vk0 n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vk0 n GLY 14 N 1.04 1.78 3.70 6.12 0.00 -1.26 -5.05 105.19 111.52 1vk0 n GLY 14 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1vk0 n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vk0 s SER 15 N -3.20 3.31 -0.15 1.61 1.04 -1.26 -5.00 113.70 110.05 1vk0 s SER 15 Ca 0.00 1.56 0.01 0.00 0.48 0.00 0.00 55.95 58.00 1vk0 s SER 15 Cb 0.00 -2.22 0.02 0.00 0.10 0.00 0.00 66.02 63.91 1vk0 s SER 15 CO 0.00 -2.75 -0.17 -0.31 0.98 0.00 0.00 173.24 170.99 1vk0 s TYR 16 N -2.88 2.34 -0.16 5.02 2.02 -1.26 -4.25 117.35 118.19 1vk0 s TYR 16 Ca 0.64 -1.27 -0.20 0.00 -0.37 0.00 0.00 57.07 55.87 1vk0 s TYR 16 Cb -0.19 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1vk0 s TYR 16 CO 0.57 -0.65 0.57 0.08 -1.57 0.00 0.00 175.55 174.55 1vk0 s VAL 17 N 1.23 5.09 -0.07 0.71 1.01 0.11 -4.88 120.40 123.61 1vk0 s VAL 17 Ca 0.01 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 1vk0 s VAL 17 Cb -0.14 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1vk0 s VAL 17 CO -0.08 0.21 0.54 -1.10 0.00 0.00 0.00 175.10 174.67 1vk0 s GLN 18 N 1.32 4.32 0.30 2.72 -0.21 -0.43 -1.09 119.66 126.59 1vk0 s GLN 18 Ca 0.28 0.59 0.09 0.00 0.02 0.00 0.00 55.36 56.34 1vk0 s GLN 18 Cb -0.16 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1vk0 s GLN 18 CO 0.11 0.24 0.09 0.95 -2.12 0.00 0.00 175.29 174.56 1vk0 s THR 19 N 0.30 3.40 -0.05 -0.19 -4.23 -1.04 -1.55 115.64 112.28 1vk0 s THR 19 Ca 0.29 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1vk0 s THR 19 Cb -0.16 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.72 1vk0 s THR 19 CO 0.14 -0.29 0.12 -0.75 -0.54 0.00 0.00 174.62 173.30 1vk0 s LYS 20 N -3.77 0.09 -0.09 3.99 2.47 -0.60 -1.04 119.74 120.79 1vk0 s LYS 20 Ca 0.34 0.27 0.02 0.00 -1.56 0.00 0.00 55.97 55.05 1vk0 s LYS 20 Cb -0.05 -0.10 -0.02 0.00 -1.46 0.00 0.00 37.83 36.21 1vk0 s LYS 20 CO 0.22 -0.11 -0.16 0.99 0.16 0.00 0.00 175.35 176.45 1vk0 s THR 21 N 0.74 2.82 -0.08 3.43 2.01 -1.26 -0.51 115.64 122.79 1vk0 s THR 21 Ca -0.06 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1vk0 s THR 21 Cb -0.08 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1vk0 s THR 21 CO -0.03 0.56 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.67 1vk0 s ILE 22 N -0.10 1.43 -0.53 1.82 1.01 0.46 -4.96 121.20 120.33 1vk0 s ILE 22 Ca -0.03 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 59.77 1vk0 s ILE 22 Cb -0.14 -1.28 0.05 0.00 0.01 0.00 0.00 42.46 41.09 1vk0 s ILE 22 CO 0.04 0.42 0.80 -0.62 0.00 0.00 0.00 174.94 175.58 1vk0 s ASP 23 N 0.70 6.29 0.02 3.58 -1.08 -1.26 -0.25 116.67 124.67 1vk0 s ASP 23 Ca -0.13 -0.57 -0.27 0.00 -0.52 0.00 0.00 52.55 51.05 1vk0 s ASP 23 Cb -0.16 -2.37 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 1vk0 s ASP 23 CO 0.03 -1.07 0.87 -0.69 0.52 0.00 0.00 175.17 174.83 1vk0 s VAL 24 N 3.38 4.79 0.00 1.11 1.01 0.17 -4.92 120.40 125.94 1vk0 s VAL 24 Ca 0.24 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.06 1vk0 s VAL 24 Cb -0.15 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1vk0 s VAL 24 CO 0.16 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1vk0 n GLY 25 N 2.68 2.90 0.04 4.51 0.00 -1.26 -4.03 105.19 110.03 1vk0 n GLY 25 Ca 0.02 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.35 1vk0 n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vk0 n SER 26 N 0.00 0.44 0.00 1.61 3.41 -1.26 -4.45 113.62 113.38 1vk0 n SER 26 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1vk0 n SER 26 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1vk0 n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1vk0 n SER 27 N -1.80 3.94 -4.54 4.04 3.41 -1.26 -4.61 113.62 112.80 1vk0 n SER 27 Ca 0.06 -0.01 -0.52 0.00 -0.26 0.00 0.00 58.87 58.13 1vk0 n SER 27 Cb 0.38 0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 65.09 1vk0 n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1vk0 n THR 28 N -1.21 0.50 -3.22 6.66 -1.04 -1.26 -4.92 114.28 109.78 1vk0 n THR 28 Ca 0.00 -0.12 -0.44 0.00 -2.04 0.00 0.00 64.05 61.45 1vk0 n THR 28 Cb 0.00 -0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 67.91 1vk0 n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1vk0 s ASP 29 N 0.05 6.21 0.04 8.00 3.68 -1.26 -4.84 116.67 128.54 1vk0 s ASP 29 Ca 0.80 -0.92 0.24 0.00 2.13 0.00 0.00 52.55 54.80 1vk0 s ASP 29 Cb -1.00 -2.26 0.23 0.00 -1.45 0.00 0.00 42.92 38.44 1vk0 s ASP 29 CO 0.52 -0.80 1.20 2.30 0.13 0.00 0.00 175.17 178.53 1vk0 n ILE 30 N 5.53 0.12 -0.21 4.11 -5.35 -1.26 -4.39 119.36 117.90 1vk0 n ILE 30 Ca -0.07 -0.14 -0.02 0.00 -0.27 0.00 0.00 62.75 62.25 1vk0 n ILE 30 Cb 0.45 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.61 1vk0 n ILE 30 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1vk0 n SER 31 N -1.77 -0.39 0.17 7.28 7.64 -1.26 -1.03 113.62 124.25 1vk0 n SER 31 Ca 0.04 0.96 0.02 0.00 1.01 0.00 0.00 58.87 60.90 1vk0 n SER 31 Cb 0.39 -0.20 0.37 0.00 -1.01 0.00 0.00 64.21 63.76 1vk0 n SER 31 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1vk0 h PRO 32 N 0.00 0.07 0.08 1.43 0.11 -2.00 0.02 132.00 131.71 1vk0 h PRO 32 Ca 0.17 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.98 1vk0 h PRO 32 Cb 0.31 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 31.43 1vk0 h PRO 32 CO -0.54 0.37 -1.15 1.88 -0.21 0.00 0.00 178.00 178.35 1vk0 h TYR 33 N 0.07 0.86 -0.76 0.65 0.05 -1.38 -2.31 116.97 114.15 1vk0 h TYR 33 Ca 0.01 -0.52 -0.01 0.00 0.05 0.00 0.00 58.73 58.25 1vk0 h TYR 33 Cb 0.56 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 1vk0 h TYR 33 CO 0.00 1.37 0.42 -0.07 -1.05 0.00 0.00 178.16 178.83 1vk0 h LEU 34 N 0.26 0.94 -0.92 3.88 3.38 -1.13 -1.78 115.31 119.93 1vk0 h LEU 34 Ca -0.15 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1vk0 h LEU 34 Cb 1.82 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.27 1vk0 h LEU 34 CO 0.21 0.76 0.60 0.28 0.09 0.00 0.00 178.44 180.37 1vk0 h SER 35 N 1.04 0.98 -0.61 -0.43 0.02 -0.97 0.15 113.55 113.75 1vk0 h SER 35 Ca 0.27 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1vk0 h SER 35 Cb 0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1vk0 h SER 35 CO -0.04 0.66 0.03 -0.07 -1.14 0.00 0.00 176.83 176.27 1vk0 h LEU 36 N 1.14 1.03 -0.35 5.07 3.38 -1.22 0.26 115.31 124.64 1vk0 h LEU 36 Ca 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1vk0 h LEU 36 Cb 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1vk0 h LEU 36 CO -0.13 1.07 0.19 0.40 0.09 0.00 0.00 178.44 180.05 1vk0 h ILE 37 N 0.98 1.14 -0.07 1.22 1.08 -0.45 -1.53 117.51 119.88 1vk0 h ILE 37 Ca 0.18 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1vk0 h ILE 37 Cb 0.52 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1vk0 h ILE 37 CO 0.03 0.15 0.01 -0.09 -0.69 0.00 0.00 178.15 177.55 1vk0 h ARG 38 N 0.43 0.11 -0.32 2.37 2.43 -0.27 -0.28 114.38 118.86 1vk0 h ARG 38 Ca 0.12 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1vk0 h ARG 38 Cb 0.07 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1vk0 h ARG 38 CO -0.02 0.32 -0.03 1.49 -1.51 0.00 0.00 179.97 180.22 1vk0 h GLU 39 N -0.12 0.05 -0.66 0.20 4.81 -0.51 -0.92 114.58 117.44 1vk0 h GLU 39 Ca 0.02 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1vk0 h GLU 39 Cb 0.26 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1vk0 h GLU 39 CO 0.00 0.04 0.21 0.22 -0.73 0.00 0.00 179.01 178.75 1vk0 h ASP 40 N 0.06 0.92 0.53 1.04 3.58 -1.15 -0.69 116.42 120.72 1vk0 h ASP 40 Ca 0.15 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1vk0 h ASP 40 Cb 0.22 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.03 1vk0 h ASP 40 CO -0.28 0.86 -0.26 -1.28 -2.88 0.00 0.00 179.24 175.40 1vk0 h SER 41 N 0.97 -0.61 0.25 2.28 0.87 -0.33 -0.54 113.55 116.44 1vk0 h SER 41 Ca 0.22 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1vk0 h SER 41 Cb 0.26 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1vk0 h SER 41 CO -0.01 -0.42 -0.34 0.40 -0.53 0.00 0.00 176.83 175.92 1vk0 h ILE 42 N -0.73 0.28 -0.12 2.23 2.04 -1.11 0.10 117.51 120.20 1vk0 h ILE 42 Ca -0.07 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.61 1vk0 h ILE 42 Cb 0.55 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1vk0 h ILE 42 CO 0.12 0.00 -0.67 -0.07 0.00 0.00 0.00 178.15 177.53 1vk0 h LEU 43 N -0.65 0.57 0.00 1.44 3.38 -1.17 -3.39 115.31 115.49 1vk0 h LEU 43 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1vk0 h LEU 43 Cb 0.63 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1vk0 h LEU 43 CO -0.12 1.08 -0.48 0.59 0.09 0.00 0.00 178.44 179.59 1vk0 n ASN 44 N -3.89 2.41 -0.55 -0.43 3.02 -0.28 -4.84 115.26 110.70 1vk0 n ASN 44 Ca -0.04 -0.16 0.06 0.00 -0.03 0.00 0.00 54.58 54.41 1vk0 n ASN 44 Cb 0.67 0.80 0.15 0.00 -0.61 0.00 0.00 39.78 40.80 1vk0 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vk0 n GLY 45 N 1.53 3.32 3.30 7.41 0.00 0.30 -4.95 105.19 116.09 1vk0 n GLY 45 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1vk0 n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vk0 n ASN 46 N -0.09 -5.09 -2.16 1.61 5.03 -0.91 -2.90 115.26 110.74 1vk0 n ASN 46 Ca 0.13 -0.40 -0.20 0.00 0.87 0.00 0.00 54.58 54.97 1vk0 n ASN 46 Cb 0.54 -4.13 -0.03 0.00 -1.02 0.00 0.00 39.78 35.15 1vk0 n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1vk0 n ARG 47 N -4.07 -1.59 -3.75 3.52 1.74 -0.88 -4.96 116.66 106.67 1vk0 n ARG 47 Ca -0.05 1.05 -0.36 0.00 -0.77 0.00 0.00 57.85 57.72 1vk0 n ARG 47 Cb 0.57 -5.62 -0.07 0.00 -1.02 0.00 0.00 32.46 26.32 1vk0 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vk0 s ALA 48 N -2.96 3.74 -0.18 7.54 0.00 -1.14 0.31 121.76 129.05 1vk0 s ALA 48 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1vk0 s ALA 48 Cb 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.99 1vk0 s ALA 48 CO 0.00 0.30 -0.16 0.08 0.00 0.00 0.00 175.76 175.97 1vk0 s VAL 49 N -0.07 2.41 0.18 0.00 1.01 0.21 -4.77 120.40 119.36 1vk0 s VAL 49 Ca 0.11 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 1vk0 s VAL 49 Cb -0.12 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1vk0 s VAL 49 CO 0.01 0.51 0.71 -0.63 0.00 0.00 0.00 175.10 175.70 1vk0 s ILE 50 N 1.24 4.54 0.19 2.22 1.09 0.17 -1.06 121.20 129.58 1vk0 s ILE 50 Ca 0.03 1.40 -0.02 0.00 -1.10 0.00 0.00 60.65 60.96 1vk0 s ILE 50 Cb -0.14 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 1vk0 s ILE 50 CO -0.09 0.38 0.15 0.72 -0.10 0.00 0.00 174.94 176.00 1vk0 s PHE 51 N -1.32 1.02 0.13 3.97 -0.12 0.18 -1.07 117.98 120.77 1vk0 s PHE 51 Ca 0.38 -1.28 -0.18 0.00 -0.05 0.00 0.00 56.93 55.80 1vk0 s PHE 51 Cb -0.19 -0.47 0.05 0.00 -0.63 0.00 0.00 43.02 41.78 1vk0 s PHE 51 CO 0.22 -0.65 0.47 0.34 -0.05 0.00 0.00 175.22 175.55 1vk0 s ASP 52 N -3.12 -0.34 0.04 1.98 3.68 -0.83 -4.53 116.67 113.54 1vk0 s ASP 52 Ca 0.34 -0.20 0.01 0.00 2.13 0.00 0.00 52.55 54.84 1vk0 s ASP 52 Cb 0.06 0.51 -0.03 0.00 -1.45 0.00 0.00 42.92 42.02 1vk0 s ASP 52 CO 0.10 -0.88 -0.05 0.68 0.13 0.00 0.00 175.17 175.14 1vk0 s VAL 53 N -3.71 0.36 -0.02 1.11 -7.23 -1.26 -1.53 120.40 108.11 1vk0 s VAL 53 Ca 0.02 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1vk0 s VAL 53 Cb 0.01 -0.65 0.02 0.00 0.56 0.00 0.00 36.38 36.32 1vk0 s VAL 53 CO -0.12 -0.53 0.00 -0.31 -0.31 0.00 0.00 175.10 173.84 1vk0 s TYR 54 N -1.84 0.18 0.04 2.82 1.51 -0.32 -5.00 117.35 114.74 1vk0 s TYR 54 Ca -0.09 0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1vk0 s TYR 54 Cb -0.07 -0.27 -0.03 0.00 -0.11 0.00 0.00 41.96 41.48 1vk0 s TYR 54 CO -0.02 -0.08 -0.17 -1.58 -1.11 0.00 0.00 175.55 172.59 1vk0 s TRP 55 N 0.75 2.59 -0.23 2.71 0.52 -1.26 -0.23 118.94 123.79 1vk0 s TRP 55 Ca -0.07 -0.24 -0.17 0.00 0.02 0.00 0.00 56.10 55.64 1vk0 s TRP 55 Cb -0.10 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 1vk0 s TRP 55 CO -0.02 0.27 0.48 0.34 0.02 0.00 0.00 176.95 178.05 1vk0 s ASP 56 N -1.48 6.47 -0.30 2.95 2.15 0.11 -4.77 116.67 121.80 1vk0 s ASP 56 Ca 0.15 0.56 -0.26 0.00 0.43 0.00 0.00 52.55 53.43 1vk0 s ASP 56 Cb -0.11 -2.27 0.01 0.00 -0.30 0.00 0.00 42.92 40.25 1vk0 s ASP 56 CO 0.06 -0.20 0.94 -0.69 -0.17 0.00 0.00 175.17 175.11 1vk0 s VAL 57 N 1.83 4.65 0.34 1.11 1.01 -1.26 -0.89 120.40 127.19 1vk0 s VAL 57 Ca 0.21 1.52 0.08 0.00 0.00 0.00 0.00 61.98 63.79 1vk0 s VAL 57 Cb -0.15 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1vk0 s VAL 57 CO 0.09 -0.35 0.13 -0.83 0.00 0.00 0.00 175.10 174.14 1vk0 s GLY 58 N 1.59 1.95 -1.16 4.51 0.00 -0.83 -4.96 107.32 108.43 1vk0 s GLY 58 Ca 0.39 -1.83 -0.06 0.00 0.00 0.00 0.00 44.72 43.22 1vk0 s GLY 58 CO 0.13 -1.77 1.64 0.69 0.00 0.00 0.00 173.10 173.79 1vk0 n PHE 59 N -1.13 2.48 0.00 1.90 3.72 -1.26 -4.09 117.46 119.07 1vk0 n PHE 59 Ca -0.03 -2.65 0.00 0.00 -0.05 0.00 0.00 57.45 54.72 1vk0 n PHE 59 Cb 0.61 -1.51 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 1vk0 n PHE 59 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1vk0 n THR 66 N 2.06 0.00 0.23 4.37 5.66 -1.26 -4.48 114.28 120.87 1vk0 n THR 66 Ca 0.31 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.40 1vk0 n THR 66 Cb 0.34 0.00 0.55 0.00 -1.55 0.00 0.00 70.33 69.67 1vk0 n THR 66 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1vk0 h LYS 67 N 0.00 0.00 -0.01 1.09 6.56 -2.06 -1.01 116.57 121.15 1vk0 h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1vk0 h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1vk0 h LYS 67 CO 0.00 0.22 -0.13 0.25 -2.06 0.00 0.00 179.45 177.74 1vk0 n THR 68 N -3.72 0.00 0.48 -0.16 -2.24 -1.26 -4.24 114.28 103.14 1vk0 n THR 68 Ca -0.01 -0.15 0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1vk0 n THR 68 Cb 0.34 0.28 0.42 0.00 -2.10 0.00 0.00 70.33 69.27 1vk0 n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vk0 n SER 69 N -0.46 0.38 -0.10 3.42 3.41 -0.38 -1.91 113.62 117.99 1vk0 n SER 69 Ca 0.16 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 1vk0 n SER 69 Cb 0.32 -0.67 0.61 0.00 -0.26 0.00 0.00 64.21 64.21 1vk0 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vk0 n GLY 70 N 0.13 -1.01 3.75 5.00 0.00 -1.26 -4.86 105.19 106.95 1vk0 n GLY 70 Ca 0.03 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1vk0 n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vk0 s TRP 71 N -2.52 3.36 -0.00 1.61 0.52 -0.80 -1.97 118.94 119.13 1vk0 s TRP 71 Ca 0.28 1.49 0.02 0.00 0.02 0.00 0.00 56.10 57.91 1vk0 s TRP 71 Cb 0.20 -3.47 -0.01 0.00 -1.15 0.00 0.00 33.47 29.04 1vk0 s TRP 71 CO 0.48 -1.24 -0.08 -1.12 0.02 0.00 0.00 176.95 175.02 1vk0 s SER 72 N -0.37 0.93 -0.22 2.95 0.01 -0.07 -4.92 113.70 112.01 1vk0 s SER 72 Ca 0.49 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 1vk0 s SER 72 Cb -0.35 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.78 1vk0 s SER 72 CO 0.43 0.08 1.24 -0.22 0.41 0.00 0.00 173.24 175.18 1vk0 s LEU 73 N -0.26 4.08 -0.08 2.44 2.96 -1.26 0.07 118.68 126.63 1vk0 s LEU 73 Ca 0.02 1.50 0.13 0.00 -0.22 0.00 0.00 54.13 55.57 1vk0 s LEU 73 Cb -0.03 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.92 1vk0 s LEU 73 CO -0.00 -0.84 0.18 -1.54 -1.32 0.00 0.00 176.35 172.82 1vk0 n SER 74 N 6.86 1.68 -4.05 3.68 3.41 0.68 -4.78 113.62 121.11 1vk0 n SER 74 Ca 0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1vk0 n SER 74 Cb 0.46 1.23 -0.09 0.00 -0.26 0.00 0.00 64.21 65.54 1vk0 n SER 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vk0 s SER 75 N -4.19 0.31 -0.03 4.04 0.01 -0.82 -0.31 113.70 112.72 1vk0 s SER 75 Ca -0.06 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.23 1vk0 s SER 75 Cb 0.06 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.60 1vk0 s SER 75 CO 0.58 -0.70 -0.01 -0.69 0.41 0.00 0.00 173.24 172.82 1vk0 s VAL 76 N -3.95 0.24 -0.11 3.43 1.01 -0.49 -1.18 120.40 119.36 1vk0 s VAL 76 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1vk0 s VAL 76 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1vk0 s VAL 76 CO -0.05 0.14 -0.03 -0.75 0.00 0.00 0.00 175.10 174.41 1vk0 s LYS 77 N 0.83 3.22 -0.10 2.72 2.20 -0.59 -0.64 119.74 127.38 1vk0 s LYS 77 Ca -0.09 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1vk0 s LYS 77 Cb -0.12 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1vk0 s LYS 77 CO -0.01 0.50 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.89 1vk0 s LEU 78 N -0.33 1.25 -0.03 5.43 1.43 0.03 -1.97 118.68 124.48 1vk0 s LEU 78 Ca 0.06 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1vk0 s LEU 78 Cb -0.12 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 1vk0 s LEU 78 CO 0.02 -0.09 -0.19 -0.44 0.23 0.00 0.00 176.35 175.88 1vk0 s SER 79 N 1.51 2.28 0.29 2.29 0.01 -0.23 0.43 113.70 120.28 1vk0 s SER 79 Ca 0.01 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1vk0 s SER 79 Cb -0.13 -0.39 -0.00 0.00 0.21 0.00 0.00 66.02 65.71 1vk0 s SER 79 CO -0.06 0.21 0.01 0.35 0.41 0.00 0.00 173.24 174.16 1vk0 n THR 80 N 2.78 0.00 -0.24 1.44 -2.24 0.29 -0.66 114.28 115.65 1vk0 n THR 80 Ca -0.16 -1.39 0.02 0.00 -2.27 0.00 0.00 64.05 60.25 1vk0 n THR 80 Cb 0.53 0.29 0.15 0.00 -2.10 0.00 0.00 70.33 69.20 1vk0 n THR 80 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1vk0 h ARG 81 N 0.00 0.47 0.01 -0.78 2.43 -1.92 -3.18 114.38 111.41 1vk0 h ARG 81 Ca -0.24 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.60 1vk0 h ARG 81 Cb 0.74 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1vk0 h ARG 81 CO 0.40 0.31 -1.75 0.09 -1.51 0.00 0.00 179.97 177.51 1vk0 n ASN 82 N -4.96 0.89 -4.33 -3.80 3.02 -1.26 -4.77 115.26 100.04 1vk0 n ASN 82 Ca 0.12 0.39 -0.24 0.00 -0.03 0.00 0.00 54.58 54.82 1vk0 n ASN 82 Cb 0.33 -0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.33 1vk0 n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vk0 s LEU 83 N -6.10 2.38 -0.16 3.41 1.43 -1.20 -1.31 118.68 117.12 1vk0 s LEU 83 Ca -0.06 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.21 1vk0 s LEU 83 Cb 0.08 -0.94 0.06 0.00 0.03 0.00 0.00 46.19 45.42 1vk0 s LEU 83 CO 0.82 0.04 0.10 0.00 0.23 0.00 0.00 176.35 177.54 1vk0 s LEU 85 N 2.16 4.05 -0.23 0.00 2.96 0.17 -1.56 118.68 126.23 1vk0 s LEU 85 Ca 0.03 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.94 1vk0 s LEU 85 Cb -0.16 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1vk0 s LEU 85 CO -0.09 -0.04 -0.00 0.12 -1.32 0.00 0.00 176.35 175.03 1vk0 s PHE 86 N 1.61 3.01 -0.17 5.38 2.19 0.33 -0.79 117.98 129.55 1vk0 s PHE 86 Ca 0.08 -0.69 -0.02 0.00 0.33 0.00 0.00 56.93 56.63 1vk0 s PHE 86 Cb -0.15 -2.14 -0.02 0.00 -1.31 0.00 0.00 43.02 39.40 1vk0 s PHE 86 CO 0.09 -0.43 -0.08 -0.51 1.83 0.00 0.00 175.22 176.12 1vk0 s LEU 87 N 1.44 2.92 -0.18 6.12 1.43 0.18 -0.41 118.68 130.19 1vk0 s LEU 87 Ca 0.05 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1vk0 s LEU 87 Cb -0.15 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1vk0 s LEU 87 CO -0.00 0.11 0.16 -0.13 0.23 0.00 0.00 176.35 176.71 1vk0 s ARG 88 N 0.72 4.04 0.16 1.70 0.52 0.65 -1.39 118.95 125.35 1vk0 s ARG 88 Ca -0.04 -0.15 0.09 0.00 -0.52 0.00 0.00 55.73 55.11 1vk0 s ARG 88 Cb -0.15 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1vk0 s ARG 88 CO 0.02 0.39 -0.16 -0.51 0.02 0.00 0.00 175.30 175.07 1vk0 s LEU 89 N 0.07 2.75 0.80 2.53 1.43 0.58 -0.65 118.68 126.19 1vk0 s LEU 89 Ca 0.11 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1vk0 s LEU 89 Cb -0.12 -1.51 0.14 0.00 0.03 0.00 0.00 46.19 44.73 1vk0 s LEU 89 CO 0.00 0.14 1.11 -2.16 0.23 0.00 0.00 176.35 175.66 1vk0 s PRO 90 N -2.54 1.45 -0.10 1.29 0.04 -1.26 -4.79 135.00 129.10 1vk0 s PRO 90 Ca 0.21 -0.67 -0.03 0.00 0.04 0.00 0.00 61.00 60.55 1vk0 s PRO 90 Cb -0.09 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1vk0 s PRO 90 CO 0.12 -1.72 0.10 0.21 0.04 0.00 0.00 177.00 175.75 1vk0 s LYS 91 N -5.42 0.01 0.89 4.56 2.20 -1.26 -4.22 119.74 116.50 1vk0 s LYS 91 Ca 0.67 0.24 -0.14 0.00 -0.36 0.00 0.00 55.97 56.39 1vk0 s LYS 91 Cb -0.06 -0.97 0.15 0.00 -1.51 0.00 0.00 37.83 35.44 1vk0 s LYS 91 CO 0.47 -0.47 1.25 -1.25 -0.36 0.00 0.00 175.35 175.00 1vk0 s PRO 92 N 2.19 1.23 0.45 4.03 0.04 -1.26 -5.14 135.00 136.54 1vk0 s PRO 92 Ca 0.04 -0.23 -0.22 0.00 0.04 0.00 0.00 61.00 60.63 1vk0 s PRO 92 Cb -0.14 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1vk0 s PRO 92 CO -0.06 -2.03 1.06 -0.06 0.04 0.00 0.00 177.00 175.94 1vk0 s PHE 93 N -3.73 3.09 0.47 0.56 0.08 -1.26 -5.04 117.98 112.16 1vk0 s PHE 93 Ca 0.69 1.60 0.07 0.00 0.12 0.00 0.00 56.93 59.41 1vk0 s PHE 93 Cb -0.07 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1vk0 s PHE 93 CO 0.51 -0.83 0.37 -1.01 -0.10 0.00 0.00 175.22 174.16 1vk0 s HIS 94 N -1.79 2.22 0.54 0.36 3.76 -1.26 -5.02 115.29 114.10 1vk0 s HIS 94 Ca 0.63 -0.66 0.28 0.00 -0.15 0.00 0.00 55.06 55.16 1vk0 s HIS 94 Cb -0.20 -2.03 1.45 0.00 1.11 0.00 0.00 32.58 32.90 1vk0 s HIS 94 CO 0.25 -0.24 1.94 -0.44 -0.85 0.00 0.00 174.74 175.40 1vk0 h ASP 95 N 0.96 0.00 0.23 1.40 3.45 -1.97 -1.04 116.42 119.45 1vk0 h ASP 95 Ca -0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1vk0 h ASP 95 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 1vk0 h ASP 95 CO 0.59 0.00 0.00 -0.55 -1.57 0.00 0.00 179.24 177.71 1vk0 h ASN 96 N 0.00 0.00 0.48 6.45 -0.00 -1.90 -0.55 115.58 120.06 1vk0 h ASN 96 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.60 1vk0 h ASN 96 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1vk0 h ASN 96 CO -0.00 0.00 -0.06 0.18 -0.00 0.00 0.00 177.43 177.55 1vk0 n LEU 97 N -2.50 0.22 -0.29 6.14 4.77 -0.40 -3.75 117.00 121.18 1vk0 n LEU 97 Ca -0.01 0.16 0.16 0.00 -0.03 0.00 0.00 56.01 56.29 1vk0 n LEU 97 Cb 0.10 -0.24 0.42 0.00 -2.33 0.00 0.00 43.42 41.37 1vk0 n LEU 97 CO 0.15 0.04 1.21 0.11 -1.33 0.00 0.00 177.39 177.58 1vk0 h LYS 98 N 0.24 0.57 -0.99 3.23 1.57 -1.28 0.25 116.57 120.16 1vk0 h LYS 98 Ca 0.00 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1vk0 h LYS 98 Cb 0.32 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1vk0 h LYS 98 CO 0.00 0.37 0.63 -0.44 -0.57 0.00 0.00 179.45 179.44 1vk0 h ASP 99 N 0.58 0.93 -0.50 0.86 3.45 -1.79 -0.83 116.42 119.13 1vk0 h ASP 99 Ca 0.51 0.04 -0.12 0.00 0.43 0.00 0.00 57.03 57.90 1vk0 h ASP 99 Cb 1.02 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.63 1vk0 h ASP 99 CO -0.26 0.52 -0.14 0.25 -1.57 0.00 0.00 179.24 178.04 1vk0 h LEU 100 N 1.02 1.00 -0.57 1.55 5.85 -1.20 -0.83 115.31 122.13 1vk0 h LEU 100 Ca 0.48 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1vk0 h LEU 100 Cb 0.42 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1vk0 h LEU 100 CO -0.25 1.13 0.36 1.88 -0.34 0.00 0.00 178.44 181.22 1vk0 h TYR 101 N 0.88 0.74 -0.53 1.25 -1.99 -0.92 -1.64 116.97 114.75 1vk0 h TYR 101 Ca 0.13 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.83 1vk0 h TYR 101 Cb 0.70 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.16 1vk0 h TYR 101 CO 0.05 0.49 0.16 0.00 -0.00 0.00 0.00 178.16 178.86 1vk0 h ARG 102 N 0.77 0.82 -0.20 4.88 3.08 -1.15 -1.52 114.38 121.07 1vk0 h ARG 102 Ca 0.21 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1vk0 h ARG 102 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1vk0 h ARG 102 CO -0.04 0.76 0.13 0.35 -1.07 0.00 0.00 179.97 180.10 1vk0 h PHE 103 N 0.73 0.25 0.00 3.04 3.04 -0.95 -2.57 116.94 120.48 1vk0 h PHE 103 Ca 0.17 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1vk0 h PHE 103 Cb 0.28 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1vk0 h PHE 103 CO 0.02 0.16 0.00 0.74 -2.02 0.00 0.00 178.31 177.21 1vk0 h PHE 104 N 0.27 0.00 -0.00 0.41 0.05 -1.17 -2.46 116.94 114.04 1vk0 h PHE 104 Ca 0.07 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.86 1vk0 h PHE 104 Cb -0.03 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.92 1vk0 h PHE 104 CO -0.06 0.00 -0.03 0.00 -0.18 0.00 0.00 178.31 178.03 1vk0 n ALA 105 N -2.07 2.48 -1.77 2.45 0.00 -0.58 -3.53 120.51 117.50 1vk0 n ALA 105 Ca 0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1vk0 n ALA 105 Cb 0.33 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1vk0 n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vk0 s SER 106 N -2.79 6.30 0.00 0.00 0.15 -0.93 -4.48 113.70 111.96 1vk0 s SER 106 Ca 0.21 2.50 0.19 0.00 0.70 0.00 0.00 55.95 59.56 1vk0 s SER 106 Cb 0.20 -2.62 0.30 0.00 -1.71 0.00 0.00 66.02 62.18 1vk0 s SER 106 CO 0.51 -0.84 1.24 0.29 1.20 0.00 0.00 173.24 175.64 1vk0 n LYS 107 N -0.04 2.11 -0.00 5.44 5.02 -1.26 -4.34 118.16 125.09 1vk0 n LYS 107 Ca 0.05 -1.96 -0.01 0.00 -2.02 0.00 0.00 58.31 54.37 1vk0 n LYS 107 Cb 0.45 -1.41 0.28 0.00 -0.02 0.00 0.00 35.03 34.33 1vk0 n LYS 107 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1vk0 h PHE 108 N 3.77 0.55 -3.59 2.13 0.05 -1.96 -3.45 116.94 114.43 1vk0 h PHE 108 Ca 0.00 -0.06 -0.34 0.00 3.82 0.00 0.00 57.97 61.38 1vk0 h PHE 108 Cb 0.85 -0.16 -0.14 0.00 2.00 0.00 0.00 35.95 38.50 1vk0 h PHE 108 CO 0.15 0.57 -0.64 0.14 -0.18 0.00 0.00 178.31 178.34 1vk0 s VAL 109 N -4.90 0.76 -0.18 -0.55 -7.23 -1.26 -4.87 120.40 102.18 1vk0 s VAL 109 Ca -0.07 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 1vk0 s VAL 109 Cb 0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1vk0 s VAL 109 CO 0.77 -0.24 0.06 -0.89 -0.31 0.00 0.00 175.10 174.49 1vk0 s THR 110 N -3.61 4.78 -0.36 5.32 2.01 0.15 -4.85 115.64 119.08 1vk0 s THR 110 Ca 0.31 -0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 1vk0 s THR 110 Cb 0.07 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1vk0 s THR 110 CO 0.09 0.47 0.61 -0.36 -0.69 0.00 0.00 174.62 174.74 1vk0 s PHE 111 N 0.27 3.15 -0.22 4.92 0.08 -0.06 -0.62 117.98 125.50 1vk0 s PHE 111 Ca 0.04 0.26 -0.07 0.00 0.12 0.00 0.00 56.93 57.28 1vk0 s PHE 111 Cb -0.12 -3.10 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 1vk0 s PHE 111 CO 0.00 -0.63 0.05 0.08 -0.10 0.00 0.00 175.22 174.63 1vk0 s VAL 112 N 2.64 4.36 0.31 -0.44 1.01 -0.23 -0.75 120.40 127.30 1vk0 s VAL 112 Ca 0.23 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1vk0 s VAL 112 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1vk0 s VAL 112 CO 0.15 0.39 0.09 -0.83 0.00 0.00 0.00 175.10 174.90 1vk0 s GLY 113 N 1.13 2.01 -0.12 4.51 0.00 -0.57 -0.64 107.32 113.64 1vk0 s GLY 113 Ca 0.04 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 42.91 1vk0 s GLY 113 CO 0.03 -1.72 -0.23 0.14 0.00 0.00 0.00 173.10 171.32 1vk0 s VAL 114 N -3.48 2.11 -1.19 1.40 1.01 -1.26 -0.87 120.40 118.12 1vk0 s VAL 114 Ca 0.36 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1vk0 s VAL 114 Cb 0.07 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1vk0 s VAL 114 CO 0.15 0.55 0.73 0.00 0.00 0.00 0.00 175.10 176.53 1vk0 n GLN 115 N 3.78 -1.90 -0.25 2.72 1.13 -1.26 -4.92 117.38 116.67 1vk0 n GLN 115 Ca -0.19 0.48 0.10 0.00 -1.94 0.00 0.00 57.00 55.44 1vk0 n GLN 115 Cb 0.52 -4.33 0.23 0.00 0.11 0.00 0.00 30.24 26.78 1vk0 n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1vk0 n ILE 116 N -4.20 0.84 0.04 5.09 -5.35 -1.26 -4.67 119.36 109.85 1vk0 n ILE 116 Ca -0.14 -0.92 -0.12 0.00 -0.27 0.00 0.00 62.75 61.30 1vk0 n ILE 116 Cb 0.61 0.65 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 1vk0 n ILE 116 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vk0 h GLU 117 N 3.54 -0.01 -0.43 6.28 4.81 -1.99 0.67 114.58 127.45 1vk0 h GLU 117 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1vk0 h GLU 117 Cb 0.88 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1vk0 h GLU 117 CO 0.00 0.04 -0.11 0.93 -0.73 0.00 0.00 179.01 179.13 1vk0 h GLU 118 N -0.06 0.77 -0.40 1.92 4.39 -2.01 -3.06 114.58 116.13 1vk0 h GLU 118 Ca -0.00 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 59.52 1vk0 h GLU 118 Cb 0.05 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.57 1vk0 h GLU 118 CO 0.00 0.85 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.25 1vk0 h ASP 119 N 0.70 -0.19 -0.96 1.42 3.32 -1.66 -0.34 116.42 118.71 1vk0 h ASP 119 Ca 0.12 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.33 1vk0 h ASP 119 Cb 0.59 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.25 1vk0 h ASP 119 CO 0.04 -0.06 0.61 -0.07 -1.72 0.00 0.00 179.24 178.04 1vk0 h LEU 120 N 0.09 0.97 -0.32 1.55 3.38 -0.79 0.86 115.31 121.04 1vk0 h LEU 120 Ca 0.20 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 1vk0 h LEU 120 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1vk0 h LEU 120 CO -0.34 0.61 -0.65 0.44 0.09 0.00 0.00 178.44 178.59 1vk0 h ASP 121 N 1.10 0.81 -0.34 -0.43 3.32 -1.33 -1.45 116.42 118.10 1vk0 h ASP 121 Ca 0.42 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1vk0 h ASP 121 Cb 0.19 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1vk0 h ASP 121 CO -0.18 1.25 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.52 1vk0 h LEU 122 N 0.52 0.59 -0.71 1.55 3.38 -0.67 -0.09 115.31 119.88 1vk0 h LEU 122 Ca -0.01 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1vk0 h LEU 122 Cb 1.24 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1vk0 h LEU 122 CO 0.13 0.76 0.36 -0.07 0.09 0.00 0.00 178.44 179.71 1vk0 h LEU 123 N 0.41 0.49 0.06 1.67 3.38 -0.79 0.12 115.31 120.64 1vk0 h LEU 123 Ca 0.10 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1vk0 h LEU 123 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1vk0 h LEU 123 CO 0.02 0.29 -0.03 -0.09 0.09 0.00 0.00 178.44 178.72 1vk0 h ARG 124 N 0.63 -0.08 -0.43 1.13 2.43 -0.98 -0.83 114.38 116.26 1vk0 h ARG 124 Ca 0.34 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.39 1vk0 h ARG 124 Cb 0.34 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1vk0 h ARG 124 CO -0.25 0.40 -0.23 0.93 -1.51 0.00 0.00 179.97 179.30 1vk0 h GLU 125 N -0.59 0.88 0.00 0.20 5.08 -0.98 -1.58 114.58 117.58 1vk0 h GLU 125 Ca -0.01 -0.37 -0.17 0.00 -1.00 0.00 0.00 59.36 57.81 1vk0 h GLU 125 Cb 0.51 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1vk0 h GLU 125 CO 0.01 1.02 -1.78 0.09 -1.00 0.00 0.00 179.01 177.35 1vk0 n ASN 126 N -4.11 0.44 0.00 1.42 4.13 0.40 -4.58 115.26 112.96 1vk0 n ASN 126 Ca -0.00 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1vk0 n ASN 126 Cb 0.45 0.82 0.00 0.00 -1.54 0.00 0.00 39.78 39.51 1vk0 n ASN 126 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1vk0 n HIS 127 N -2.69 0.00 -1.63 3.10 8.25 -0.70 -5.00 115.22 116.54 1vk0 n HIS 127 Ca -0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.20 1vk0 n HIS 127 Cb 0.84 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.91 1vk0 n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vk0 n GLY 128 N 0.45 0.84 3.66 -1.41 0.00 -0.59 -4.97 105.19 103.16 1vk0 n GLY 128 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1vk0 n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vk0 s LEU 129 N -2.96 4.12 -0.17 0.99 0.20 -0.40 -4.94 118.68 115.52 1vk0 s LEU 129 Ca 0.00 0.35 -0.00 0.00 0.69 0.00 0.00 54.13 55.16 1vk0 s LEU 129 Cb 0.00 -2.37 0.00 0.00 -0.43 0.00 0.00 46.19 43.40 1vk0 s LEU 129 CO 0.00 -0.05 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.18 1vk0 s VAL 130 N 1.35 2.63 -0.54 1.68 1.01 -1.26 -2.93 120.40 122.35 1vk0 s VAL 130 Ca 0.15 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1vk0 s VAL 130 Cb -0.15 -2.13 0.13 0.00 0.00 0.00 0.00 36.38 34.24 1vk0 s VAL 130 CO 0.07 0.50 0.49 -0.63 0.00 0.00 0.00 175.10 175.53 1vk0 s ILE 131 N 1.05 5.11 0.35 2.22 1.01 -1.26 -3.86 121.20 125.82 1vk0 s ILE 131 Ca -0.01 -1.55 0.12 0.00 0.00 0.00 0.00 60.65 59.22 1vk0 s ILE 131 Cb -0.15 -4.28 0.07 0.00 0.01 0.00 0.00 42.46 38.11 1vk0 s ILE 131 CO -0.04 -0.86 1.78 0.03 0.00 0.00 0.00 174.94 175.85 1vk0 h ARG 132 N 8.83 0.00 -2.83 2.79 3.08 -1.78 -3.34 114.38 121.12 1vk0 h ARG 132 Ca -0.28 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.16 1vk0 h ARG 132 Cb 1.10 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.74 1vk0 h ARG 132 CO 1.02 0.42 -0.69 -1.71 -1.07 0.00 0.00 179.97 177.93 1vk0 n ASN 133 N -4.03 2.06 -4.54 7.04 5.15 -1.26 -5.09 115.26 114.58 1vk0 n ASN 133 Ca -0.02 -2.99 -0.26 0.00 -0.60 0.00 0.00 54.58 50.71 1vk0 n ASN 133 Cb 0.45 -0.70 -0.10 0.00 -0.53 0.00 0.00 39.78 38.90 1vk0 n ASN 133 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vk0 s ALA 134 N -1.10 2.88 -0.03 5.20 0.00 -1.26 -0.88 121.76 126.58 1vk0 s ALA 134 Ca 0.28 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1vk0 s ALA 134 Cb -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1vk0 s ALA 134 CO -0.17 0.42 0.00 -1.50 0.00 0.00 0.00 175.76 174.52 1vk0 s ILE 135 N -1.82 0.16 -0.69 0.00 2.07 0.07 -4.91 121.20 116.08 1vk0 s ILE 135 Ca 0.25 0.09 -0.25 0.00 -1.41 0.00 0.00 60.65 59.34 1vk0 s ILE 135 Cb -0.08 -0.26 0.05 0.00 0.13 0.00 0.00 42.46 42.30 1vk0 s ILE 135 CO 0.15 0.14 1.10 0.21 -1.91 0.00 0.00 174.94 174.62 1vk0 s ASN 136 N 1.01 6.18 0.43 4.50 2.47 -1.26 -1.51 114.94 126.77 1vk0 s ASN 136 Ca -0.10 -0.71 0.21 0.00 0.42 0.00 0.00 52.86 52.68 1vk0 s ASN 136 Cb -0.14 -2.48 0.98 0.00 -1.45 0.00 0.00 41.25 38.17 1vk0 s ASN 136 CO -0.02 -1.60 1.88 1.62 -3.72 0.00 0.00 177.10 175.27 1vk0 h VAL 137 N 6.00 0.83 -0.93 -5.21 3.04 -1.39 -3.01 116.25 115.58 1vk0 h VAL 137 Ca -0.28 -1.07 0.06 0.00 -1.01 0.00 0.00 66.70 64.40 1vk0 h VAL 137 Cb 1.06 1.65 -0.06 0.00 -2.01 0.00 0.00 31.29 31.93 1vk0 h VAL 137 CO 1.22 0.26 0.61 1.23 -1.01 0.00 0.00 177.57 179.88 1vk0 h GLY 138 N 1.41 1.36 1.01 3.17 0.00 -1.82 -1.19 103.07 107.01 1vk0 h GLY 138 Ca -0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 1vk0 h GLY 138 CO 0.03 0.33 -0.38 1.70 0.00 0.00 0.00 176.54 178.23 1vk0 h LYS 139 N 1.09 0.73 -0.49 4.80 3.64 -1.78 -1.01 116.57 123.55 1vk0 h LYS 139 Ca 0.39 -0.43 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1vk0 h LYS 139 Cb 0.15 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1vk0 h LYS 139 CO -0.14 1.05 0.25 1.25 -2.27 0.00 0.00 179.45 179.59 1vk0 h LEU 140 N 0.47 0.36 -0.06 5.20 5.85 -1.64 -2.22 115.31 123.27 1vk0 h LEU 140 Ca 0.03 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1vk0 h LEU 140 Cb 0.97 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1vk0 h LEU 140 CO 0.09 0.25 -0.28 0.00 -0.34 0.00 0.00 178.44 178.16 1vk0 h ALA 141 N 1.26 -0.35 -0.86 1.25 0.00 -1.04 0.11 119.26 119.63 1vk0 h ALA 141 Ca 0.21 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1vk0 h ALA 141 Cb 0.11 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1vk0 h ALA 141 CO -0.14 -0.77 0.51 0.00 0.00 0.00 0.00 179.25 178.84 1vk0 h ALA 142 N 0.44 1.22 -0.03 0.00 0.00 -0.95 -0.10 119.26 119.84 1vk0 h ALA 142 Ca 0.08 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1vk0 h ALA 142 Cb 0.51 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1vk0 h ALA 142 CO -0.29 0.15 -0.32 0.93 0.00 0.00 0.00 179.25 179.72 1vk0 h GLU 143 N 0.86 0.28 -0.48 0.00 5.08 -1.04 0.27 114.58 119.55 1vk0 h GLU 143 Ca 0.41 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1vk0 h GLU 143 Cb 0.34 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1vk0 h GLU 143 CO -0.23 0.93 0.31 0.00 -1.00 0.00 0.00 179.01 179.01 1vk0 h ALA 144 N 0.36 0.61 -0.01 3.43 0.00 -0.66 -2.87 119.26 120.12 1vk0 h ALA 144 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vk0 h ALA 144 Cb 1.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1vk0 h ALA 144 CO 0.07 0.07 -0.19 0.54 0.00 0.00 0.00 179.25 179.74 1vk0 n ARG 145 N -4.73 0.76 -3.82 0.00 5.12 -0.06 -4.96 116.66 108.97 1vk0 n ARG 145 Ca 0.02 -0.37 -0.26 0.00 -1.93 0.00 0.00 57.85 55.31 1vk0 n ARG 145 Cb 0.03 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 29.87 1vk0 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vk0 n GLY 146 N 1.31 -0.37 2.74 -0.13 0.00 -0.02 -4.99 105.19 103.73 1vk0 n GLY 146 Ca 0.13 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1vk0 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vk0 s THR 147 N -3.53 0.90 0.31 2.61 2.01 -0.57 -5.03 115.64 112.34 1vk0 s THR 147 Ca 0.29 -1.36 0.09 0.00 0.31 0.00 0.00 61.69 61.02 1vk0 s THR 147 Cb -0.15 -1.65 0.31 0.00 0.01 0.00 0.00 72.50 71.02 1vk0 s THR 147 CO 0.83 -0.63 1.73 -0.07 -0.69 0.00 0.00 174.62 175.79 1vk0 h LEU 148 N 8.09 0.64 -1.84 4.42 3.38 -1.95 -2.79 115.31 125.26 1vk0 h LEU 148 Ca -0.14 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vk0 h LEU 148 Cb 1.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1vk0 h LEU 148 CO 0.46 0.10 0.00 1.62 0.09 0.00 0.00 178.44 180.71 1vk0 h VAL 149 N 0.57 0.00 0.00 1.22 3.04 -1.95 -2.89 116.25 116.23 1vk0 h VAL 149 Ca 0.63 -0.28 -0.02 0.00 -1.01 0.00 0.00 66.70 66.02 1vk0 h VAL 149 Cb 1.19 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1vk0 h VAL 149 CO -0.48 0.00 -0.11 -0.07 -1.01 0.00 0.00 177.57 175.90 1vk0 h LEU 150 N 0.00 0.00 -2.25 3.16 3.38 -1.80 -0.69 115.31 117.11 1vk0 h LEU 150 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1vk0 h LEU 150 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1vk0 h LEU 150 CO 0.00 0.11 -0.03 -0.08 0.09 0.00 0.00 178.44 178.53 1vk0 h GLU 151 N 0.00 0.00 -0.28 1.13 4.81 -1.48 -3.23 114.58 115.53 1vk0 h GLU 151 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1vk0 h GLU 151 Cb 0.21 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.51 1vk0 h GLU 151 CO 0.01 0.03 -0.11 1.19 -0.73 0.00 0.00 179.01 179.41 1vk0 n PHE 152 N -3.28 0.90 -4.25 0.92 3.72 -0.27 -4.62 117.46 110.58 1vk0 n PHE 152 Ca -0.02 -1.47 -0.30 0.00 -0.05 0.00 0.00 57.45 55.62 1vk0 n PHE 152 Cb 0.18 -0.43 -0.10 0.00 -0.94 0.00 0.00 39.48 38.19 1vk0 n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1vk0 s LEU 153 N -3.17 2.95 0.00 4.37 1.43 -1.22 -5.11 118.68 117.93 1vk0 s LEU 153 Ca 0.43 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1vk0 s LEU 153 Cb 0.39 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.96 1vk0 s LEU 153 CO 0.00 0.18 0.61 0.61 0.23 0.00 0.00 176.35 177.98 1vk0 n GLY 154 N 0.71 -0.93 0.13 -3.19 0.00 -1.26 -4.72 105.19 95.93 1vk0 n GLY 154 Ca -0.14 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 1vk0 n GLY 154 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1vk0 h THR 155 N -1.20 0.83 0.04 2.61 2.02 -2.00 -1.60 112.91 113.61 1vk0 h THR 155 Ca -0.20 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1vk0 h THR 155 Cb 0.57 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1vk0 h THR 155 CO 0.15 0.01 -0.02 -0.09 0.37 0.00 0.00 175.52 175.94 1vk0 h ARG 156 N -0.27 -0.05 -0.06 6.66 1.12 -1.97 -2.53 114.38 117.29 1vk0 h ARG 156 Ca -0.02 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.76 1vk0 h ARG 156 Cb 0.21 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1vk0 h ARG 156 CO 0.04 0.14 -0.36 1.49 -3.11 0.00 0.00 179.97 178.16 1vk0 h GLU 157 N -0.23 0.11 0.03 0.20 4.57 -1.91 -0.50 114.58 116.86 1vk0 h GLU 157 Ca -0.01 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1vk0 h GLU 157 Cb 0.21 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1vk0 h GLU 157 CO 0.01 0.46 -0.02 1.25 -1.18 0.00 0.00 179.01 179.54 1vk0 h LEU 158 N 0.10 -0.04 -0.41 1.64 5.85 -1.18 -1.01 115.31 120.26 1vk0 h LEU 158 Ca 0.01 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1vk0 h LEU 158 Cb 0.69 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 1vk0 h LEU 158 CO 0.05 0.08 -0.05 0.00 -0.34 0.00 0.00 178.44 178.19 1vk0 h ALA 159 N 0.80 0.33 -0.48 1.25 0.00 -0.98 -0.12 119.26 120.06 1vk0 h ALA 159 Ca -0.00 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1vk0 h ALA 159 Cb 0.14 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1vk0 h ALA 159 CO 0.01 -0.42 0.07 1.25 0.00 0.00 0.00 179.25 180.16 1vk0 h HIS 160 N 0.05 0.11 0.00 0.00 -0.00 -0.94 0.25 115.15 114.62 1vk0 h HIS 160 Ca 0.20 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1vk0 h HIS 160 Cb 0.30 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1vk0 h HIS 160 CO -0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 177.93 177.58 1vk0 h ARG 161 N 0.20 0.00 0.01 5.26 2.47 -0.21 -0.78 114.38 121.33 1vk0 h ARG 161 Ca 0.24 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.58 1vk0 h ARG 161 Cb 0.33 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 1vk0 h ARG 161 CO -0.34 0.00 -2.41 0.28 0.56 0.00 0.00 179.97 178.06 1vk0 n VAL 162 N -2.32 1.49 -0.06 2.04 0.31 -0.15 -4.77 118.33 114.88 1vk0 n VAL 162 Ca 0.05 -0.64 -0.06 0.00 -0.01 0.00 0.00 64.34 63.68 1vk0 n VAL 162 Cb 0.43 -1.25 -0.10 0.00 -0.91 0.00 0.00 33.84 32.01 1vk0 n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vk0 n LEU 163 N -3.17 0.16 -3.19 7.52 4.77 0.84 -5.01 117.00 118.90 1vk0 n LEU 163 Ca -0.42 -0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.32 1vk0 n LEU 163 Cb 1.03 0.26 0.04 0.00 -2.33 0.00 0.00 43.42 42.42 1vk0 n LEU 163 CO 0.31 0.33 0.05 0.79 -1.33 0.00 0.00 177.39 177.54 1vk0 n TRP 164 N -2.48 -2.17 -2.72 -1.77 7.02 -0.30 -4.99 117.44 110.03 1vk0 n TRP 164 Ca -0.20 0.64 -0.23 0.00 -1.02 0.00 0.00 57.50 56.69 1vk0 n TRP 164 Cb 0.89 -4.52 0.11 0.00 -2.42 0.00 0.00 31.31 25.37 1vk0 n TRP 164 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1vk0 s SER 165 N -2.86 4.40 -0.06 -0.99 1.04 -1.26 -5.06 113.70 108.91 1vk0 s SER 165 Ca 0.38 -0.58 -0.25 0.00 0.48 0.00 0.00 55.95 55.98 1vk0 s SER 165 Cb -0.17 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1vk0 s SER 165 CO 0.47 -1.84 0.78 -0.62 0.98 0.00 0.00 173.24 173.02 1vk0 s ASP 166 N -4.77 7.08 -0.05 7.02 -1.08 -1.26 -4.91 116.67 118.69 1vk0 s ASP 166 Ca 0.67 1.30 0.07 0.00 -0.52 0.00 0.00 52.55 54.07 1vk0 s ASP 166 Cb -0.04 -2.46 0.11 0.00 -1.46 0.00 0.00 42.92 39.07 1vk0 s ASP 166 CO 0.44 -0.19 1.01 0.18 0.52 0.00 0.00 175.17 177.13 1vk0 n LEU 167 N 3.99 1.03 -0.20 -1.34 4.77 -1.26 -4.82 117.00 119.17 1vk0 n LEU 167 Ca 0.01 -1.77 -0.04 0.00 -0.03 0.00 0.00 56.01 54.19 1vk0 n LEU 167 Cb 0.51 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1vk0 n LEU 167 CO 0.48 0.42 1.07 1.23 -1.33 0.00 0.00 177.39 179.26 1vk0 h GLY 168 N 0.00 0.83 0.98 -0.72 0.00 -1.99 0.82 103.07 102.99 1vk0 h GLY 168 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1vk0 h GLY 168 CO 0.00 0.18 0.28 -1.61 0.00 0.00 0.00 176.54 175.38 1vk0 h GLN 169 N 0.64 0.67 -0.15 4.80 5.75 -2.00 -1.29 115.11 123.53 1vk0 h GLN 169 Ca 0.24 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1vk0 h GLN 169 Cb 0.09 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1vk0 h GLN 169 CO -0.13 0.51 0.07 1.25 -2.65 0.00 0.00 178.83 177.87 1vk0 h LEU 170 N 0.64 0.19 -1.17 -2.39 5.85 -1.77 -2.28 115.31 114.39 1vk0 h LEU 170 Ca 0.17 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1vk0 h LEU 170 Cb 0.03 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1vk0 h LEU 170 CO -0.03 0.27 0.46 0.44 -0.34 0.00 0.00 178.44 179.24 1vk0 h ASP 171 N 0.10 0.91 -0.25 1.25 3.32 -0.70 -1.29 116.42 119.75 1vk0 h ASP 171 Ca 0.05 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1vk0 h ASP 171 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1vk0 h ASP 171 CO -0.01 0.69 -0.49 0.77 -1.72 0.00 0.00 179.24 178.49 1vk0 h SER 172 N 1.05 0.86 -0.31 6.45 4.64 -1.03 0.42 113.55 125.63 1vk0 h SER 172 Ca 0.27 -0.54 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1vk0 h SER 172 Cb -0.05 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 1vk0 h SER 172 CO -0.05 1.24 0.16 0.40 -0.87 0.00 0.00 176.83 177.70 1vk0 h ILE 173 N 0.51 1.15 0.02 0.95 2.04 -0.90 -3.14 117.51 118.14 1vk0 h ILE 173 Ca 0.01 -0.41 -0.21 0.00 1.00 0.00 0.00 64.86 65.25 1vk0 h ILE 173 Cb 1.09 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1vk0 h ILE 173 CO 0.11 0.15 -0.97 -0.33 0.00 0.00 0.00 178.15 177.11 1vk0 h GLU 174 N 0.37 0.08 -0.30 2.37 5.08 -0.88 -2.53 114.58 118.78 1vk0 h GLU 174 Ca 0.11 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1vk0 h GLU 174 Cb 0.10 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1vk0 h GLU 174 CO -0.01 0.98 0.22 0.00 -1.00 0.00 0.00 179.01 179.20 1vk0 h ALA 175 N 0.97 2.22 -0.88 3.43 0.00 -0.19 -2.50 119.26 122.31 1vk0 h ALA 175 Ca -0.04 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.28 1vk0 h ALA 175 Cb 1.67 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 19.09 1vk0 h ALA 175 CO 0.14 -0.38 -0.42 0.36 0.00 0.00 0.00 179.25 178.95 1vk0 n LYS 176 N -4.33 3.39 -0.21 0.00 -0.00 -0.96 -4.90 118.16 111.15 1vk0 n LYS 176 Ca 0.04 -4.01 0.02 0.00 -0.00 0.00 0.00 58.31 54.36 1vk0 n LYS 176 Cb 0.39 -2.28 0.12 0.00 -0.00 0.00 0.00 35.03 33.26 1vk0 n LYS 176 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1vk0 h TRP 177 N 2.20 0.11 0.00 5.58 2.91 -1.35 -1.68 115.95 123.73 1vk0 h TRP 177 Ca 0.42 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.48 1vk0 h TRP 177 Cb 1.29 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 30.00 1vk0 h TRP 177 CO 0.97 -0.11 0.00 1.05 -1.03 0.00 0.00 178.44 179.33 1vk0 h GLU 178 N 0.20 0.00 0.00 2.65 9.09 -1.90 -1.88 114.58 122.74 1vk0 h GLU 178 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1vk0 h GLU 178 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1vk0 h GLU 178 CO -0.49 0.00 -0.90 1.63 0.05 0.00 0.00 179.01 179.30 1vk0 n LYS 179 N -2.36 1.16 -1.99 1.06 5.02 -0.69 -4.97 118.16 115.38 1vk0 n LYS 179 Ca 0.03 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1vk0 n LYS 179 Cb 0.29 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 1vk0 n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vk0 s ALA 180 N -2.70 3.66 1.00 7.82 0.00 -0.71 -5.03 121.76 125.81 1vk0 s ALA 180 Ca 0.06 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 1vk0 s ALA 180 Cb 0.13 -3.57 0.19 0.00 0.00 0.00 0.00 23.12 19.86 1vk0 s ALA 180 CO 0.72 -0.75 1.10 0.20 0.00 0.00 0.00 175.76 177.02 1vk0 s GLY 181 N 0.57 1.56 0.40 0.00 0.00 -1.26 -4.83 107.32 103.77 1vk0 s GLY 181 Ca 0.62 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 45.02 1vk0 s GLY 181 CO 0.40 0.22 2.05 -2.55 0.00 0.00 0.00 173.10 173.22 1vk0 h PRO 182 N -1.87 0.58 -0.01 2.90 0.11 -1.99 -2.08 132.00 129.63 1vk0 h PRO 182 Ca -0.54 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.36 1vk0 h PRO 182 Cb 1.33 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1vk0 h PRO 182 CO 0.58 0.38 -0.79 1.49 -0.21 0.00 0.00 178.00 179.46 1vk0 h GLU 183 N 0.60 0.15 -0.04 1.05 4.81 -1.98 -0.38 114.58 118.79 1vk0 h GLU 183 Ca 0.17 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1vk0 h GLU 183 Cb -0.03 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1vk0 h GLU 183 CO -0.04 0.86 -0.55 0.93 -0.73 0.00 0.00 179.01 179.48 1vk0 h GLU 184 N 0.09 0.10 0.02 1.92 5.08 -1.78 -0.83 114.58 119.19 1vk0 h GLU 184 Ca -0.03 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.00 1vk0 h GLU 184 Cb 1.37 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.65 1vk0 h GLU 184 CO 0.12 0.63 -1.08 1.96 -1.00 0.00 0.00 179.01 179.63 1vk0 h GLN 185 N 0.08 0.69 -0.52 2.33 4.20 -1.15 -0.84 115.11 119.90 1vk0 h GLN 185 Ca -0.00 -0.77 0.00 0.00 0.06 0.00 0.00 58.65 57.94 1vk0 h GLN 185 Cb 1.00 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1vk0 h GLN 185 CO 0.08 1.34 0.34 1.25 -0.67 0.00 0.00 178.83 181.17 1vk0 h LEU 186 N 0.38 0.59 -0.50 1.46 5.85 -1.10 -1.06 115.31 120.94 1vk0 h LEU 186 Ca -0.14 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1vk0 h LEU 186 Cb 1.74 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 1vk0 h LEU 186 CO 0.21 0.43 0.18 -0.08 -0.34 0.00 0.00 178.44 178.85 1vk0 h GLU 187 N 0.70 0.35 -0.72 1.25 4.81 -0.91 0.20 114.58 120.27 1vk0 h GLU 187 Ca 0.19 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1vk0 h GLU 187 Cb -0.08 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1vk0 h GLU 187 CO -0.04 0.23 0.44 0.00 -0.73 0.00 0.00 179.01 178.92 1vk0 h ALA 188 N 1.33 0.92 -0.71 2.92 0.00 -0.69 0.12 119.26 123.14 1vk0 h ALA 188 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1vk0 h ALA 188 Cb 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1vk0 h ALA 188 CO -0.24 0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.68 1vk0 h ALA 189 N 1.24 0.93 -0.32 0.00 0.00 -0.38 -1.21 119.26 119.51 1vk0 h ALA 189 Ca 0.26 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1vk0 h ALA 189 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1vk0 h ALA 189 CO -0.05 0.55 -0.28 0.00 0.00 0.00 0.00 179.25 179.47 1vk0 h ALA 190 N 1.14 0.47 -0.06 0.00 0.00 -0.23 -1.29 119.26 119.29 1vk0 h ALA 190 Ca 0.24 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1vk0 h ALA 190 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1vk0 h ALA 190 CO -0.02 0.48 0.02 0.82 0.00 0.00 0.00 179.25 180.55 1vk0 h ILE 191 N 0.53 0.98 -0.84 0.00 2.04 -0.49 -2.02 117.51 117.70 1vk0 h ILE 191 Ca 0.06 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1vk0 h ILE 191 Cb 0.84 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1vk0 h ILE 191 CO 0.07 0.01 0.54 -0.33 0.00 0.00 0.00 178.15 178.44 1vk0 h GLU 192 N 0.05 1.02 0.09 2.37 5.08 -1.15 0.23 114.58 122.27 1vk0 h GLU 192 Ca 0.03 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1vk0 h GLU 192 Cb 0.02 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1vk0 h GLU 192 CO -0.03 0.68 -0.42 0.78 -1.00 0.00 0.00 179.01 179.02 1vk0 h GLY 193 N 1.05 -0.84 0.87 -3.84 0.00 -0.95 -1.03 103.07 98.34 1vk0 h GLY 193 Ca 0.34 0.51 0.03 0.00 0.00 0.00 0.00 47.33 48.21 1vk0 h GLY 193 CO -0.12 -0.26 0.56 -0.25 0.00 0.00 0.00 176.54 176.47 1vk0 h TRP 194 N -0.64 1.04 -0.79 5.60 7.01 -0.82 -0.14 115.95 127.21 1vk0 h TRP 194 Ca 0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1vk0 h TRP 194 Cb 0.67 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.35 1vk0 h TRP 194 CO -0.38 0.60 0.51 -0.07 -2.79 0.00 0.00 178.44 176.30 1vk0 h LEU 195 N 1.08 0.93 -0.06 0.65 3.38 -0.07 -2.23 115.31 118.99 1vk0 h LEU 195 Ca 0.34 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 58.06 1vk0 h LEU 195 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1vk0 h LEU 195 CO -0.12 0.69 -1.00 0.40 0.09 0.00 0.00 178.44 178.50 1vk0 h ILE 196 N 1.08 1.64 -0.79 1.22 1.08 -0.55 0.17 117.51 121.36 1vk0 h ILE 196 Ca 0.29 -3.20 0.16 0.00 -0.39 0.00 0.00 64.86 61.72 1vk0 h ILE 196 Cb -0.09 2.78 -0.10 0.00 -3.07 0.00 0.00 36.82 36.34 1vk0 h ILE 196 CO -0.06 0.92 0.31 0.58 -0.69 0.00 0.00 178.15 179.21 1vk0 h VAL 197 N 0.02 0.60 -0.08 1.67 2.07 -0.95 0.22 116.25 119.80 1vk0 h VAL 197 Ca -0.03 -0.14 -0.22 0.00 0.82 0.00 0.00 66.70 67.12 1vk0 h VAL 197 Cb 1.73 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1vk0 h VAL 197 CO 0.14 0.08 -0.84 0.78 0.02 0.00 0.00 177.57 177.75 1vk0 h ASN 198 N 0.42 0.74 -0.41 0.57 4.21 -0.71 -1.24 115.58 119.16 1vk0 h ASN 198 Ca 0.45 -0.52 0.03 0.00 1.21 0.00 0.00 56.30 57.46 1vk0 h ASN 198 Cb 0.74 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.68 1vk0 h ASN 198 CO -0.45 1.31 0.22 0.58 -1.29 0.00 0.00 177.43 177.80 1vk0 h VAL 199 N 0.39 1.00 -0.47 2.81 2.07 -0.20 -1.28 116.25 120.58 1vk0 h VAL 199 Ca -0.06 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1vk0 h VAL 199 Cb 1.46 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1vk0 h VAL 199 CO 0.16 0.08 0.22 -0.25 0.02 0.00 0.00 177.57 177.80 1vk0 h TRP 200 N 0.44 0.68 -0.81 1.57 2.91 -0.39 -1.17 115.95 119.18 1vk0 h TRP 200 Ca 0.17 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 1vk0 h TRP 200 Cb 0.05 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.46 1vk0 h TRP 200 CO -0.09 0.55 0.45 -0.44 -1.03 0.00 0.00 178.44 177.88 1vk0 h ASP 201 N 0.61 1.01 -0.34 2.65 3.32 -1.07 0.36 116.42 122.96 1vk0 h ASP 201 Ca 0.16 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1vk0 h ASP 201 Cb 0.13 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1vk0 h ASP 201 CO -0.02 0.81 0.02 1.56 -1.72 0.00 0.00 179.24 179.90 1vk0 h GLN 202 N 1.13 0.69 0.23 3.56 4.20 -0.91 -3.27 115.11 120.73 1vk0 h GLN 202 Ca 0.29 -0.16 -0.35 0.00 0.06 0.00 0.00 58.65 58.49 1vk0 h GLN 202 Cb 0.02 -0.09 0.03 0.00 0.30 0.00 0.00 27.48 27.74 1vk0 h GLN 202 CO -0.05 0.69 -1.59 -0.07 -0.67 0.00 0.00 178.83 177.14 1vk0 h LEU 203 N 0.65 0.77 -1.87 1.46 3.38 -0.36 -3.19 115.31 116.15 1vk0 h LEU 203 Ca 0.14 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.16 1vk0 h LEU 203 Cb 0.37 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1vk0 h LEU 203 CO 0.01 1.75 -0.06 0.77 0.09 0.00 0.00 178.44 181.00 1vk0 h SER 204 N 0.13 0.00 0.65 -0.43 4.64 -1.02 -3.17 113.55 114.36 1vk0 h SER 204 Ca -0.29 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.84 1vk0 h SER 204 Cb 2.15 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.21 1vk0 h SER 204 CO 0.24 0.06 -1.48 0.47 -0.87 0.00 0.00 176.83 175.26 1vk0 n ASP 205 N -4.47 0.83 0.00 4.97 8.00 -1.23 -5.13 116.55 119.52 1vk0 n ASP 205 Ca -0.03 0.37 0.16 0.00 0.71 0.00 0.00 54.79 56.00 1vk0 n ASP 205 Cb 0.14 0.18 0.93 0.00 -0.02 0.00 0.00 41.12 42.35 1vk0 n ASP 205 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97