#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk4 s HIS -5 N 0.00 3.50 -1.39 9.51 3.76 -1.26 -4.42 115.29 125.00 1vk4 s HIS -5 Ca 0.00 0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 55.68 1vk4 s HIS -5 Cb 0.00 -2.28 0.03 0.00 1.11 0.00 0.00 32.58 31.44 1vk4 s HIS -5 CO 0.00 -0.06 0.93 0.72 -0.85 0.00 0.00 174.74 175.48 1vk4 n HIS -4 N -1.47 -2.27 0.34 1.40 8.25 -1.26 -4.86 115.22 115.35 1vk4 n HIS -4 Ca 0.00 0.91 0.04 0.00 -0.26 0.00 0.00 57.72 58.41 1vk4 n HIS -4 Cb 0.54 -4.45 0.00 0.00 1.12 0.00 0.00 29.99 27.21 1vk4 n HIS -4 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1vk4 n HIS -3 N -4.55 0.00 -3.78 4.41 8.25 -1.26 -4.92 115.22 113.37 1vk4 n HIS -3 Ca -0.12 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.05 1vk4 n HIS -3 Cb 0.60 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.58 1vk4 n HIS -3 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1vk4 s HIS -2 N -1.08 2.32 0.25 4.41 3.76 -1.26 -4.93 115.29 118.77 1vk4 s HIS -2 Ca 0.07 -2.59 0.03 0.00 -0.15 0.00 0.00 55.06 52.42 1vk4 s HIS -2 Cb 0.06 -2.14 0.32 0.00 1.11 0.00 0.00 32.58 31.93 1vk4 s HIS -2 CO 0.18 -0.78 1.63 1.25 -0.85 0.00 0.00 174.74 176.16 1vk4 h HIS -1 N 6.78 0.43 -0.99 1.40 2.76 -1.93 -3.35 115.15 120.24 1vk4 h HIS -1 Ca -0.04 -0.13 -0.66 0.00 -2.20 0.00 0.00 60.37 57.34 1vk4 h HIS -1 Cb 0.93 -0.09 -0.09 0.00 1.55 0.00 0.00 27.41 29.71 1vk4 h HIS -1 CO 0.48 0.75 1.99 -1.58 -1.30 0.00 0.00 177.93 178.27 1vk4 s HIS 0 N -4.08 2.75 -0.08 5.26 5.65 -1.26 -0.26 115.29 123.27 1vk4 s HIS 0 Ca -0.05 -1.45 -0.10 0.00 0.25 0.00 0.00 55.06 53.70 1vk4 s HIS 0 Cb 0.13 -4.72 0.02 0.00 -1.18 0.00 0.00 32.58 26.83 1vk4 s HIS 0 CO 0.80 -1.82 0.27 -1.50 -0.65 0.00 0.00 174.74 171.84 1vk4 s ILE 2 N 4.30 0.02 -0.11 0.89 2.07 -0.66 -4.32 121.20 123.38 1vk4 s ILE 2 Ca 0.51 -0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.61 1vk4 s ILE 2 Cb 0.03 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 1vk4 s ILE 2 CO 0.03 -0.09 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.93 1vk4 s THR 3 N -0.28 2.86 -0.14 4.00 2.01 -0.72 -0.87 115.64 122.50 1vk4 s THR 3 Ca -0.04 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.14 1vk4 s THR 3 Cb -0.03 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1vk4 s THR 3 CO 0.01 0.54 0.13 -0.36 -0.69 0.00 0.00 174.62 174.25 1vk4 s PHE 4 N 0.19 3.53 -0.17 4.92 0.40 -0.07 -1.17 117.98 125.61 1vk4 s PHE 4 Ca -0.09 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.71 1vk4 s PHE 4 Cb -0.15 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.39 1vk4 s PHE 4 CO 0.05 0.59 -0.20 0.42 0.70 0.00 0.00 175.22 176.79 1vk4 s ILE 5 N -0.60 2.14 0.00 0.64 1.01 -0.58 -1.40 121.20 122.41 1vk4 s ILE 5 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1vk4 s ILE 5 Cb -0.12 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1vk4 s ILE 5 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1vk4 n GLY 6 N 4.40 1.43 3.73 6.18 0.00 -0.95 -0.72 105.19 119.27 1vk4 n GLY 6 Ca -0.20 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1vk4 n GLY 6 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vk4 s HIS 7 N -2.00 3.38 0.74 1.61 3.76 -1.26 -4.21 115.29 117.31 1vk4 s HIS 7 Ca 0.00 1.34 -0.11 0.00 -0.15 0.00 0.00 55.06 56.14 1vk4 s HIS 7 Cb 0.00 -3.48 0.04 0.00 1.11 0.00 0.00 32.58 30.24 1vk4 s HIS 7 CO 0.00 -1.44 1.08 0.14 -0.85 0.00 0.00 174.74 173.68 1vk4 s VAL 8 N 0.14 3.50 -0.03 -0.90 -7.23 -1.26 -4.60 120.40 110.02 1vk4 s VAL 8 Ca 0.55 0.49 -0.07 0.00 -1.81 0.00 0.00 61.98 61.13 1vk4 s VAL 8 Cb -0.33 -3.30 0.01 0.00 0.56 0.00 0.00 36.38 33.32 1vk4 s VAL 8 CO 0.36 -0.64 0.16 -0.55 -0.31 0.00 0.00 175.10 174.13 1vk4 s SER 9 N -3.99 -0.08 -0.54 4.85 0.15 -1.26 -4.15 113.70 108.67 1vk4 s SER 9 Ca 0.59 0.06 -0.21 0.00 0.70 0.00 0.00 55.95 57.08 1vk4 s SER 9 Cb -0.13 0.28 0.05 0.00 -1.71 0.00 0.00 66.02 64.51 1vk4 s SER 9 CO 0.54 -0.23 0.79 -0.75 1.20 0.00 0.00 173.24 174.78 1vk4 s LYS 10 N -0.72 3.20 -0.12 5.44 2.20 -0.53 -4.38 119.74 124.83 1vk4 s LYS 10 Ca -0.08 -0.65 -0.15 0.00 -0.36 0.00 0.00 55.97 54.73 1vk4 s LYS 10 Cb -0.05 -4.10 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 1vk4 s LYS 10 CO 0.01 -1.40 0.34 -0.51 -0.36 0.00 0.00 175.35 173.43 1vk4 s ASP 11 N 2.90 6.55 -0.24 1.43 1.01 0.83 -2.00 116.67 127.15 1vk4 s ASP 11 Ca 0.22 0.65 0.02 0.00 0.71 0.00 0.00 52.55 54.15 1vk4 s ASP 11 Cb -0.17 -2.21 0.04 0.00 1.01 0.00 0.00 42.92 41.60 1vk4 s ASP 11 CO 0.14 0.13 -0.13 -0.69 0.21 0.00 0.00 175.17 174.84 1vk4 s VAL 12 N 0.15 2.24 -0.21 -1.27 1.01 -0.14 -0.16 120.40 122.03 1vk4 s VAL 12 Ca 0.20 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.69 1vk4 s VAL 12 Cb -0.14 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1vk4 s VAL 12 CO 0.07 0.16 0.25 0.20 0.00 0.00 0.00 175.10 175.78 1vk4 s ASN 13 N 1.19 6.29 -0.26 3.32 0.01 0.27 -0.93 114.94 124.83 1vk4 s ASN 13 Ca -0.04 0.32 0.03 0.00 -0.71 0.00 0.00 52.86 52.46 1vk4 s ASN 13 Cb -0.18 -2.15 0.06 0.00 0.41 0.00 0.00 41.25 39.39 1vk4 s ASN 13 CO -0.07 0.05 -0.11 0.54 -1.51 0.00 0.00 177.10 176.00 1vk4 s VAL 14 N 0.89 2.10 -0.35 1.60 0.11 -0.53 -0.57 120.40 123.65 1vk4 s VAL 14 Ca 0.13 -1.58 0.03 0.00 -2.93 0.00 0.00 61.98 57.63 1vk4 s VAL 14 Cb -0.13 -2.21 0.10 0.00 -1.53 0.00 0.00 36.38 32.60 1vk4 s VAL 14 CO 0.04 -0.02 0.07 0.68 -3.33 0.00 0.00 175.10 172.54 1vk4 s VAL 15 N 1.14 2.47 -1.38 2.04 -7.23 -1.08 -2.20 120.40 114.16 1vk4 s VAL 15 Ca -0.08 -2.23 -0.04 0.00 -1.81 0.00 0.00 61.98 57.82 1vk4 s VAL 15 Cb -0.20 -2.77 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1vk4 s VAL 15 CO -0.05 -0.57 0.30 -0.90 -0.31 0.00 0.00 175.10 173.56 1vk4 n ASP 16 N 4.33 -4.81 0.00 4.85 5.75 -1.26 -3.55 116.55 121.85 1vk4 n ASP 16 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1vk4 n ASP 16 Cb 0.42 -3.98 0.00 0.00 -1.03 0.00 0.00 41.12 36.53 1vk4 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vk4 n GLY 17 N -1.14 3.05 3.68 6.12 0.00 -1.26 -5.11 105.19 110.53 1vk4 n GLY 17 Ca -0.12 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1vk4 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vk4 s LYS 18 N 0.00 4.30 0.08 1.61 0.00 -1.23 -5.03 119.74 119.47 1vk4 s LYS 18 Ca 0.00 0.81 -0.24 0.00 0.00 0.00 0.00 55.97 56.53 1vk4 s LYS 18 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 37.83 34.23 1vk4 s LYS 18 CO 0.00 -0.18 0.75 1.03 0.00 0.00 0.00 175.35 176.94 1vk4 s ARG 19 N 1.68 4.49 -0.09 1.78 0.52 -1.26 -2.65 118.95 123.42 1vk4 s ARG 19 Ca 0.34 1.05 -0.02 0.00 -0.52 0.00 0.00 55.73 56.58 1vk4 s ARG 19 Cb -0.16 -3.32 0.04 0.00 0.52 0.00 0.00 34.95 32.02 1vk4 s ARG 19 CO 0.13 0.41 0.03 -2.00 0.02 0.00 0.00 175.30 173.88 1vk4 s GLU 20 N -0.50 0.43 -0.20 3.54 2.56 0.27 -4.96 118.70 119.82 1vk4 s GLU 20 Ca 0.36 0.07 -0.11 0.00 0.00 0.00 0.00 54.97 55.29 1vk4 s GLU 20 Cb -0.21 -1.12 -0.05 0.00 2.00 0.00 0.00 34.13 34.75 1vk4 s GLU 20 CO 0.23 -0.39 0.19 0.42 -0.56 0.00 0.00 175.26 175.16 1vk4 s ILE 21 N 2.01 5.36 0.00 -3.70 1.01 -1.26 -0.56 121.20 124.06 1vk4 s ILE 21 Ca 0.04 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.04 1vk4 s ILE 21 Cb -0.13 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1vk4 s ILE 21 CO -0.06 0.39 -0.14 0.00 0.00 0.00 0.00 174.94 175.14 1vk4 s ALA 22 N 0.62 1.17 -0.91 9.38 0.00 0.77 -4.99 121.76 127.79 1vk4 s ALA 22 Ca 0.11 -0.66 0.13 0.00 0.00 0.00 0.00 51.96 51.54 1vk4 s ALA 22 Cb -0.12 -0.27 0.41 0.00 0.00 0.00 0.00 23.12 23.14 1vk4 s ALA 22 CO 0.01 0.27 1.34 0.66 0.00 0.00 0.00 175.76 178.05 1vk4 n TYR 23 N 2.52 0.68 -0.50 0.00 4.01 -1.26 -0.12 117.16 122.50 1vk4 n TYR 23 Ca -0.15 -0.57 0.06 0.00 -0.16 0.00 0.00 57.90 57.08 1vk4 n TYR 23 Cb 0.55 -0.09 0.16 0.00 -0.31 0.00 0.00 39.34 39.65 1vk4 n TYR 23 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vk4 n GLY 24 N 0.50 3.43 0.02 2.72 0.00 -1.26 -4.71 105.19 105.89 1vk4 n GLY 24 Ca 0.16 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 1vk4 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vk4 n GLY 25 N -0.19 1.67 7.00 -0.02 0.00 -1.26 -4.71 105.19 107.68 1vk4 n GLY 25 Ca 0.13 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1vk4 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vk4 n GLY 26 N 4.97 1.82 0.53 -0.02 0.00 -1.26 -2.22 105.19 109.00 1vk4 n GLY 26 Ca 0.00 -0.53 0.35 0.00 0.00 0.00 0.00 46.02 45.84 1vk4 n GLY 26 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1vk4 h VAL 27 N 0.00 0.36 0.00 1.61 -1.51 -1.81 -2.17 116.25 112.72 1vk4 h VAL 27 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1vk4 h VAL 27 Cb 0.00 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 1vk4 h VAL 27 CO 0.00 0.01 0.00 0.52 -1.23 0.00 0.00 177.57 176.87 1vk4 n VAL 28 N -4.27 0.00 0.00 7.19 0.31 -0.94 -0.94 118.33 119.67 1vk4 n VAL 28 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1vk4 n VAL 28 Cb 1.28 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 34.01 1vk4 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vk4 n GLY 30 N 0.20 0.00 0.32 2.92 0.00 -0.82 -1.78 105.19 106.03 1vk4 n GLY 30 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1vk4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vk4 h ALA 31 N 0.00 0.99 -0.70 4.61 0.00 -1.31 -1.56 119.26 121.29 1vk4 h ALA 31 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1vk4 h ALA 31 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1vk4 h ALA 31 CO 0.00 0.66 0.26 0.82 0.00 0.00 0.00 179.25 180.99 1vk4 h ILE 32 N 1.06 1.24 0.27 0.00 2.04 -1.57 -1.75 117.51 118.80 1vk4 h ILE 32 Ca 0.22 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1vk4 h ILE 32 Cb 0.36 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1vk4 h ILE 32 CO 0.00 0.32 -0.13 0.74 0.00 0.00 0.00 178.15 179.08 1vk4 h THR 33 N 1.02 0.76 -0.54 -0.27 2.02 -1.70 -0.62 112.91 113.58 1vk4 h THR 33 Ca 0.23 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 1vk4 h THR 33 Cb 0.23 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1vk4 h THR 33 CO -0.02 0.04 0.06 0.77 0.37 0.00 0.00 175.52 176.75 1vk4 h SER 34 N -0.45 0.83 -0.10 4.18 4.64 -1.24 -1.07 113.55 120.33 1vk4 h SER 34 Ca -0.04 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1vk4 h SER 34 Cb 0.34 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1vk4 h SER 34 CO 0.06 0.85 0.04 -1.28 -0.87 0.00 0.00 176.83 175.63 1vk4 h SER 35 N 0.82 0.15 0.04 4.97 0.87 -1.19 -1.51 113.55 117.70 1vk4 h SER 35 Ca 0.17 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1vk4 h SER 35 Cb 0.40 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1vk4 h SER 35 CO 0.01 0.29 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.36 1vk4 h LEU 36 N -0.00 0.24 0.00 2.23 3.38 -0.91 -1.78 115.31 118.47 1vk4 h LEU 36 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vk4 h LEU 36 Cb 0.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1vk4 h LEU 36 CO -0.00 0.43 0.00 0.18 0.09 0.00 0.00 178.44 179.14 1vk4 n LEU 37 N -4.23 0.00 0.00 1.67 4.77 -0.42 -4.88 117.00 113.90 1vk4 n LEU 37 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1vk4 n LEU 37 Cb 0.30 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1vk4 n LEU 37 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1vk4 n GLY 38 N 0.30 0.99 3.58 -0.72 0.00 -0.67 -5.06 105.19 103.61 1vk4 n GLY 38 Ca 0.13 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1vk4 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vk4 s VAL 39 N -2.00 4.91 0.12 1.61 1.01 -0.59 -5.02 120.40 120.45 1vk4 s VAL 39 Ca 0.00 0.03 -0.34 0.00 0.00 0.00 0.00 61.98 61.67 1vk4 s VAL 39 Cb 0.00 -3.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.96 1vk4 s VAL 39 CO 0.00 0.35 1.63 1.17 0.00 0.00 0.00 175.10 178.25 1vk4 n LYS 40 N 4.41 2.16 -4.45 2.72 4.81 -1.26 -3.57 118.16 122.99 1vk4 n LYS 40 Ca -0.16 0.78 -0.20 0.00 -0.87 0.00 0.00 58.31 57.87 1vk4 n LYS 40 Cb 0.52 -2.57 -0.14 0.00 0.02 0.00 0.00 35.03 32.86 1vk4 n LYS 40 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1vk4 s THR 41 N 1.42 0.94 0.01 3.15 2.01 -1.26 -1.66 115.64 120.25 1vk4 s THR 41 Ca 0.81 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.23 1vk4 s THR 41 Cb -0.68 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1vk4 s THR 41 CO 0.40 0.17 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.59 1vk4 s LYS 42 N -0.53 1.18 -0.05 4.92 2.20 -0.05 -2.84 119.74 124.58 1vk4 s LYS 42 Ca 0.03 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 1vk4 s LYS 42 Cb -0.05 -1.18 -0.01 0.00 -1.51 0.00 0.00 37.83 35.07 1vk4 s LYS 42 CO 0.00 0.31 -0.24 0.08 -0.36 0.00 0.00 175.35 175.15 1vk4 s VAL 43 N -0.59 1.91 -0.23 4.02 1.01 -0.02 -0.89 120.40 125.61 1vk4 s VAL 43 Ca 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1vk4 s VAL 43 Cb -0.07 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 1vk4 s VAL 43 CO 0.00 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.97 1vk4 s ILE 44 N -0.23 3.30 0.34 2.22 1.01 -0.49 -0.51 121.20 126.83 1vk4 s ILE 44 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1vk4 s ILE 44 Cb -0.12 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1vk4 s ILE 44 CO 0.02 0.37 0.32 0.28 0.00 0.00 0.00 174.94 175.93 1vk4 s THR 45 N 1.45 0.00 -0.00 2.92 -1.32 -0.51 -2.23 115.64 115.94 1vk4 s THR 45 Ca 0.05 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.61 1vk4 s THR 45 Cb -0.15 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 1vk4 s THR 45 CO -0.03 0.00 -0.01 -0.54 -2.21 0.00 0.00 174.62 171.82 1vk4 s LYS 46 N -3.35 0.14 0.29 7.08 1.02 -1.26 -0.92 119.74 122.74 1vk4 s LYS 46 Ca 0.39 -0.03 -0.19 0.00 0.02 0.00 0.00 55.97 56.16 1vk4 s LYS 46 Cb 0.02 -0.17 0.07 0.00 -0.52 0.00 0.00 37.83 37.23 1vk4 s LYS 46 CO 0.27 0.01 0.91 0.00 -0.92 0.00 0.00 175.35 175.62 1vk4 s THR 48 N -2.20 3.62 0.20 0.00 -4.23 -1.24 -2.87 115.64 108.92 1vk4 s THR 48 Ca 0.19 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 61.14 1vk4 s THR 48 Cb -0.04 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.80 1vk4 s THR 48 CO 0.09 -0.67 1.82 0.03 -0.54 0.00 0.00 174.62 175.35 1vk4 h ARG 49 N -0.85 0.71 -0.97 3.99 2.47 -1.95 -2.68 114.38 115.10 1vk4 h ARG 49 Ca -0.44 -0.04 0.12 0.00 -1.26 0.00 0.00 59.98 58.36 1vk4 h ARG 49 Cb 1.22 -0.16 -0.09 0.00 -1.65 0.00 0.00 29.97 29.30 1vk4 h ARG 49 CO 0.54 0.47 0.59 1.49 0.56 0.00 0.00 179.97 183.62 1vk4 h GLU 50 N 0.73 0.90 -0.00 0.04 4.57 -1.97 -2.59 114.58 116.25 1vk4 h GLU 50 Ca 0.28 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1vk4 h GLU 50 Cb 0.10 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1vk4 h GLU 50 CO -0.14 0.59 -0.12 -0.25 -1.18 0.00 0.00 179.01 177.91 1vk4 n ASP 51 N -4.67 0.13 -0.15 1.04 8.00 -1.02 -4.21 116.55 115.67 1vk4 n ASP 51 Ca 0.18 0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.91 1vk4 n ASP 51 Cb 0.37 -0.30 0.05 0.00 -0.02 0.00 0.00 41.12 41.21 1vk4 n ASP 51 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1vk4 h VAL 52 N 0.02 0.59 0.00 2.53 2.07 -1.38 -1.06 116.25 119.03 1vk4 h VAL 52 Ca 0.00 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1vk4 h VAL 52 Cb 0.48 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1vk4 h VAL 52 CO 0.00 0.01 -0.10 0.77 0.02 0.00 0.00 177.57 178.28 1vk4 h SER 53 N 0.08 0.00 0.90 0.57 4.64 -1.79 -1.26 113.55 116.68 1vk4 h SER 53 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1vk4 h SER 53 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1vk4 h SER 53 CO -0.43 0.10 0.00 0.11 -0.87 0.00 0.00 176.83 175.74 1vk4 h LYS 54 N 0.00 0.00 -0.53 4.77 1.57 -1.44 -2.86 116.57 118.08 1vk4 h LYS 54 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1vk4 h LYS 54 Cb 0.19 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.33 1vk4 h LYS 54 CO 0.01 0.00 0.10 1.19 -0.57 0.00 0.00 179.45 180.19 1vk4 n PHE 55 N -2.48 1.64 0.35 -1.35 3.72 -0.48 -4.70 117.46 114.16 1vk4 n PHE 55 Ca 0.02 -1.70 0.14 0.00 -0.05 0.00 0.00 57.45 55.86 1vk4 n PHE 55 Cb 0.27 -0.62 0.58 0.00 -0.94 0.00 0.00 39.48 38.77 1vk4 n PHE 55 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1vk4 h SER 56 N 1.02 0.00 -0.62 4.37 4.64 -1.51 -3.27 113.55 118.19 1vk4 h SER 56 Ca 0.34 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.78 1vk4 h SER 56 Cb 1.96 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.96 1vk4 h SER 56 CO 0.59 0.00 0.14 0.15 -0.87 0.00 0.00 176.83 176.85 1vk4 h PHE 57 N 0.00 0.23 -0.11 4.77 3.57 -1.86 0.22 116.94 123.76 1vk4 h PHE 57 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1vk4 h PHE 57 Cb 0.42 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1vk4 h PHE 57 CO 0.00 -0.03 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.54 1vk4 h LEU 58 N 0.27 -1.40 -1.02 0.59 3.38 -1.92 -2.57 115.31 112.65 1vk4 h LEU 58 Ca 0.33 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 1vk4 h LEU 58 Cb 0.50 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1vk4 h LEU 58 CO -0.41 -0.39 0.10 0.03 0.09 0.00 0.00 178.44 177.86 1vk4 h ARG 59 N -0.47 0.81 0.00 1.13 3.08 -1.54 0.32 114.38 117.71 1vk4 h ARG 59 Ca 0.03 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1vk4 h ARG 59 Cb 0.55 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1vk4 h ARG 59 CO -0.36 0.75 0.00 -0.25 -1.07 0.00 0.00 179.97 179.04 1vk4 n ASP 60 N -4.26 0.00 -0.38 7.04 8.00 0.74 -2.17 116.55 125.52 1vk4 n ASP 60 Ca 0.03 -0.33 0.04 0.00 0.71 0.00 0.00 54.79 55.24 1vk4 n ASP 60 Cb 0.24 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.39 1vk4 n ASP 60 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1vk4 n ASN 61 N -0.70 0.86 0.00 -2.24 4.13 0.08 -5.01 115.26 112.38 1vk4 n ASN 61 Ca 0.02 -2.40 0.00 0.00 1.68 0.00 0.00 54.58 53.88 1vk4 n ASN 61 Cb 0.01 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 1vk4 n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vk4 n GLY 62 N -0.50 2.53 3.69 7.41 0.00 -0.92 -4.95 105.19 112.45 1vk4 n GLY 62 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1vk4 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vk4 s VAL 63 N -3.10 3.55 0.06 1.61 1.01 -1.09 -4.88 120.40 117.56 1vk4 s VAL 63 Ca 0.00 0.97 -0.31 0.00 0.00 0.00 0.00 61.98 62.64 1vk4 s VAL 63 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1vk4 s VAL 63 CO 0.00 0.00 1.27 -0.70 0.00 0.00 0.00 175.10 175.67 1vk4 s GLU 64 N 2.33 4.38 -0.06 2.72 2.12 -1.13 -3.69 118.70 125.37 1vk4 s GLU 64 Ca 0.66 1.86 0.04 0.00 0.36 0.00 0.00 54.97 57.88 1vk4 s GLU 64 Cb -0.33 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1vk4 s GLU 64 CO 0.28 -0.35 -0.18 0.08 -0.54 0.00 0.00 175.26 174.54 1vk4 s VAL 65 N 1.32 1.55 -0.44 3.70 1.01 -1.26 -0.84 120.40 125.43 1vk4 s VAL 65 Ca 0.60 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1vk4 s VAL 65 Cb -0.31 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 34.78 1vk4 s VAL 65 CO 0.29 0.44 0.33 -0.69 0.00 0.00 0.00 175.10 175.47 1vk4 s VAL 66 N 0.22 4.95 -0.87 2.92 1.01 0.33 -4.97 120.40 123.99 1vk4 s VAL 66 Ca -0.09 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 1vk4 s VAL 66 Cb -0.14 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.43 1vk4 s VAL 66 CO 0.04 -0.49 1.10 -0.36 0.00 0.00 0.00 175.10 175.39 1vk4 s PHE 67 N 1.59 2.99 0.60 5.22 0.08 -1.26 -1.43 117.98 125.77 1vk4 s PHE 67 Ca 0.04 -1.17 -0.17 0.00 0.12 0.00 0.00 56.93 55.75 1vk4 s PHE 67 Cb -0.23 -4.30 -0.03 0.00 -0.57 0.00 0.00 43.02 37.90 1vk4 s PHE 67 CO 0.06 -1.54 1.09 -0.51 -0.10 0.00 0.00 175.22 174.22 1vk4 s LEU 68 N 3.10 3.53 0.29 -0.37 1.43 -0.10 -4.89 118.68 121.67 1vk4 s LEU 68 Ca 0.30 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 55.09 1vk4 s LEU 68 Cb -0.08 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.49 1vk4 s LEU 68 CO -0.05 -1.35 1.22 -0.54 0.23 0.00 0.00 176.35 175.86 1vk4 s LYS 69 N -3.85 4.48 -0.20 1.70 3.01 -1.26 -2.97 119.74 120.65 1vk4 s LYS 69 Ca 0.67 2.01 -0.18 0.00 -1.01 0.00 0.00 55.97 57.47 1vk4 s LYS 69 Cb -0.20 -3.14 0.05 0.00 -1.01 0.00 0.00 37.83 33.54 1vk4 s LYS 69 CO 0.35 -0.02 0.53 0.45 0.51 0.00 0.00 175.35 177.17 1vk4 s SER 70 N -0.53 -0.56 0.32 2.83 0.15 -1.14 -4.81 113.70 109.96 1vk4 s SER 70 Ca 0.48 1.07 0.26 0.00 0.70 0.00 0.00 55.95 58.46 1vk4 s SER 70 Cb -0.36 1.07 1.03 0.00 -1.71 0.00 0.00 66.02 66.05 1vk4 s SER 70 CO 0.46 -0.19 1.77 1.55 1.20 0.00 0.00 173.24 178.03 1vk4 h PRO 71 N 5.49 0.00 -4.94 5.44 0.13 -1.96 -3.29 132.00 132.86 1vk4 h PRO 71 Ca -0.28 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.55 1vk4 h PRO 71 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1vk4 h PRO 71 CO 0.18 0.00 -0.70 1.03 -0.23 0.00 0.00 178.00 178.28 1vk4 s ARG 72 N -3.37 1.03 -0.09 0.86 0.52 -1.26 -4.86 118.95 111.78 1vk4 s ARG 72 Ca 0.04 -1.45 -0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1vk4 s ARG 72 Cb 0.09 -0.49 -0.03 0.00 0.52 0.00 0.00 34.95 35.05 1vk4 s ARG 72 CO 0.45 0.02 -0.06 0.99 0.02 0.00 0.00 175.30 176.72 1vk4 s THR 73 N -3.44 3.75 0.28 0.02 2.01 -1.26 -3.89 115.64 113.11 1vk4 s THR 73 Ca 0.17 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1vk4 s THR 73 Cb 0.04 -2.56 -0.10 0.00 0.01 0.00 0.00 72.50 69.89 1vk4 s THR 73 CO 0.00 0.58 1.47 -0.89 -0.69 0.00 0.00 174.62 175.09 1vk4 s THR 74 N -0.57 2.49 -0.07 -0.82 2.01 -1.26 -4.22 115.64 113.19 1vk4 s THR 74 Ca 0.09 0.42 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 1vk4 s THR 74 Cb -0.12 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.16 1vk4 s THR 74 CO 0.02 0.07 0.15 -0.55 -0.69 0.00 0.00 174.62 173.63 1vk4 s SER 75 N 0.28 -0.00 -0.10 3.53 0.15 -0.42 -1.46 113.70 115.67 1vk4 s SER 75 Ca 0.59 0.32 0.02 0.00 0.70 0.00 0.00 55.95 57.57 1vk4 s SER 75 Cb -0.43 0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1vk4 s SER 75 CO 0.47 -0.16 -0.15 -0.63 1.20 0.00 0.00 173.24 173.97 1vk4 s ILE 76 N 1.34 1.43 -0.31 6.45 1.01 -0.85 -0.94 121.20 129.33 1vk4 s ILE 76 Ca -0.07 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1vk4 s ILE 76 Cb -0.12 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1vk4 s ILE 76 CO -0.06 0.43 0.21 -0.70 0.00 0.00 0.00 174.94 174.82 1vk4 s GLU 77 N 0.99 3.65 -0.36 2.79 2.12 0.27 -0.96 118.70 127.19 1vk4 s GLU 77 Ca -0.07 -0.53 -0.16 0.00 0.36 0.00 0.00 54.97 54.57 1vk4 s GLU 77 Cb -0.15 -3.72 -0.00 0.00 0.26 0.00 0.00 34.13 30.52 1vk4 s GLU 77 CO -0.01 -0.34 0.42 -0.80 -0.54 0.00 0.00 175.26 173.99 1vk4 s ASN 78 N 1.72 6.22 -0.34 -1.70 0.01 -0.11 -0.54 114.94 120.20 1vk4 s ASN 78 Ca 0.06 -0.27 -0.12 0.00 -0.71 0.00 0.00 52.86 51.82 1vk4 s ASN 78 Cb -0.17 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1vk4 s ASN 78 CO 0.10 -0.43 0.22 -0.13 -1.51 0.00 0.00 177.10 175.35 1vk4 s ARG 79 N 2.15 3.34 -0.01 -0.60 0.52 0.06 -1.46 118.95 122.95 1vk4 s ARG 79 Ca 0.14 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1vk4 s ARG 79 Cb -0.16 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 1vk4 s ARG 79 CO 0.13 -0.49 -0.07 0.71 0.02 0.00 0.00 175.30 175.60 1vk4 s TYR 80 N 1.67 2.90 0.00 -0.53 1.51 -0.94 -1.95 117.35 120.02 1vk4 s TYR 80 Ca 0.05 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1vk4 s TYR 80 Cb -0.18 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1vk4 s TYR 80 CO 0.09 0.36 0.00 2.41 -1.11 0.00 0.00 175.55 177.30 1vk4 n THR 86 N 1.71 0.00 -4.30 -0.71 -1.04 -1.26 -4.82 114.28 103.87 1vk4 n THR 86 Ca -0.16 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.50 1vk4 n THR 86 Cb 0.53 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.94 1vk4 n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1vk4 s ARG 87 N 0.00 3.24 -0.02 -2.82 1.81 -1.26 -5.12 118.95 114.78 1vk4 s ARG 87 Ca 0.00 -0.40 0.07 0.00 -1.72 0.00 0.00 55.73 53.68 1vk4 s ARG 87 Cb 0.00 -2.89 -0.02 0.00 -0.45 0.00 0.00 34.95 31.59 1vk4 s ARG 87 CO 0.00 0.58 -0.23 -1.21 -0.68 0.00 0.00 175.30 173.76 1vk4 s GLU 88 N -0.55 2.17 0.03 3.54 2.02 -0.82 -5.01 118.70 120.08 1vk4 s GLU 88 Ca 0.09 -0.89 0.09 0.00 0.02 0.00 0.00 54.97 54.28 1vk4 s GLU 88 Cb -0.12 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1vk4 s GLU 88 CO 0.02 0.57 -0.25 -1.12 0.02 0.00 0.00 175.26 174.50 1vk4 s SER 89 N -0.70 2.95 -0.06 -0.19 0.01 -1.26 -0.76 113.70 113.69 1vk4 s SER 89 Ca 0.11 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.82 1vk4 s SER 89 Cb -0.10 -0.27 0.02 0.00 0.21 0.00 0.00 66.02 65.88 1vk4 s SER 89 CO -0.00 0.24 -0.06 -0.36 0.41 0.00 0.00 173.24 173.47 1vk4 s PHE 90 N -0.76 1.04 -0.94 2.43 0.40 0.30 -0.85 117.98 119.60 1vk4 s PHE 90 Ca 0.10 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.86 1vk4 s PHE 90 Cb -0.10 -0.88 0.12 0.00 0.51 0.00 0.00 43.02 42.67 1vk4 s PHE 90 CO 0.01 -0.28 1.17 -1.17 0.70 0.00 0.00 175.22 175.65 1vk4 s LEU 91 N 1.12 4.80 0.22 -0.37 2.96 0.25 -0.57 118.68 127.10 1vk4 s LEU 91 Ca -0.07 -1.94 -0.01 0.00 -0.22 0.00 0.00 54.13 51.89 1vk4 s LEU 91 Cb -0.14 -2.43 0.20 0.00 0.50 0.00 0.00 46.19 44.32 1vk4 s LEU 91 CO -0.01 -1.14 1.57 0.40 -1.32 0.00 0.00 176.35 175.85 1vk4 h ILE 92 N 5.99 1.31 -2.90 6.68 1.08 -1.31 -3.44 117.51 124.92 1vk4 h ILE 92 Ca 0.16 -1.68 -0.12 0.00 -0.39 0.00 0.00 64.86 62.83 1vk4 h ILE 92 Cb 1.02 1.67 -0.22 0.00 -3.07 0.00 0.00 36.82 36.23 1vk4 h ILE 92 CO 1.16 0.52 -0.26 -0.55 -0.69 0.00 0.00 178.15 178.33 1vk4 s SER 93 N -6.88 -0.30 -0.11 1.72 0.15 -1.12 -4.96 113.70 102.19 1vk4 s SER 93 Ca -0.07 0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 1vk4 s SER 93 Cb 0.12 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 1vk4 s SER 93 CO 0.82 -0.32 -0.05 0.00 1.20 0.00 0.00 173.24 174.89 1vk4 s ALA 94 N -0.68 1.19 1.05 5.45 0.00 -1.26 -1.30 121.76 126.21 1vk4 s ALA 94 Ca -0.08 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 1vk4 s ALA 94 Cb -0.04 -0.91 0.22 0.00 0.00 0.00 0.00 23.12 22.39 1vk4 s ALA 94 CO 0.03 -0.51 1.09 0.00 0.00 0.00 0.00 175.76 176.37 1vk4 s ALA 95 N 1.77 0.45 0.50 0.00 0.00 -1.26 -4.73 121.76 118.49 1vk4 s ALA 95 Ca 0.04 0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.04 1vk4 s ALA 95 Cb -0.13 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1vk4 s ALA 95 CO -0.07 -3.36 1.31 -0.51 0.00 0.00 0.00 175.76 173.13 1vk4 s ASP 96 N -2.54 5.67 0.73 0.00 1.01 -1.26 -4.91 116.67 115.36 1vk4 s ASP 96 Ca 0.68 2.66 -0.15 0.00 0.71 0.00 0.00 52.55 56.45 1vk4 s ASP 96 Cb -0.24 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.10 1vk4 s ASP 96 CO 0.61 -1.29 1.23 -2.84 0.21 0.00 0.00 175.17 173.10 1vk4 s PRO 97 N -2.73 2.09 0.59 8.23 0.02 -1.26 -4.93 135.00 137.01 1vk4 s PRO 97 Ca 0.67 1.86 -0.18 0.00 0.02 0.00 0.00 61.00 63.36 1vk4 s PRO 97 Cb -0.38 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 1vk4 s PRO 97 CO 0.46 -1.90 1.16 -0.06 -0.33 0.00 0.00 177.00 176.34 1vk4 s PHE 98 N -1.85 2.51 0.33 6.54 0.08 -0.49 -5.05 117.98 120.05 1vk4 s PHE 98 Ca 0.77 1.54 0.04 0.00 0.12 0.00 0.00 56.93 59.39 1vk4 s PHE 98 Cb -0.32 -3.36 -0.06 0.00 -0.57 0.00 0.00 43.02 38.71 1vk4 s PHE 98 CO 0.45 -1.92 0.07 0.95 -0.10 0.00 0.00 175.22 174.68 1vk4 s THR 99 N -1.79 1.07 0.30 0.64 -4.23 -1.26 -4.57 115.64 105.80 1vk4 s THR 99 Ca 0.74 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1vk4 s THR 99 Cb -0.26 -2.72 0.28 0.00 1.34 0.00 0.00 72.50 71.14 1vk4 s THR 99 CO 0.32 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.23 1vk4 h GLU 100 N 2.08 1.01 0.00 3.99 4.81 -1.99 -1.37 114.58 123.11 1vk4 h GLU 100 Ca -0.40 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 1vk4 h GLU 100 Cb 1.25 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1vk4 h GLU 100 CO 0.67 0.67 -0.33 0.66 -0.73 0.00 0.00 179.01 179.95 1vk4 h SER 101 N 1.04 0.00 0.12 1.04 4.64 -2.03 -2.24 113.55 116.12 1vk4 h SER 101 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 1vk4 h SER 101 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1vk4 h SER 101 CO -0.15 0.33 -0.09 0.44 -0.87 0.00 0.00 176.83 176.49 1vk4 h ASP 102 N 0.00 0.00 0.45 4.97 3.32 -1.65 -2.52 116.42 120.98 1vk4 h ASP 102 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vk4 h ASP 102 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1vk4 h ASP 102 CO 0.04 0.09 0.00 -0.07 -1.72 0.00 0.00 179.24 177.59 1vk4 h LEU 103 N 0.00 0.00 -2.80 1.55 3.38 -1.40 -2.68 115.31 113.36 1vk4 h LEU 103 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vk4 h LEU 103 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1vk4 h LEU 103 CO 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.54 1vk4 h ALA 104 N 2.09 1.02 -0.01 1.53 0.00 -1.59 -2.83 119.26 119.48 1vk4 h ALA 104 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vk4 h ALA 104 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vk4 h ALA 104 CO 0.00 0.00 -0.07 1.19 0.00 0.00 0.00 179.25 180.37 1vk4 n PHE 105 N -3.11 0.00 -2.11 0.00 3.72 -1.01 -4.93 117.46 110.02 1vk4 n PHE 105 Ca -0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 1vk4 n PHE 105 Cb 0.10 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 1vk4 n PHE 105 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1vk4 s ILE 106 N -2.21 2.74 0.01 4.37 -5.25 -1.07 -5.00 121.20 114.79 1vk4 s ILE 106 Ca 0.35 0.66 0.01 0.00 -0.99 0.00 0.00 60.65 60.69 1vk4 s ILE 106 Cb 0.21 -3.39 -0.01 0.00 2.95 0.00 0.00 42.46 42.22 1vk4 s ILE 106 CO 0.41 0.09 -0.05 -1.61 -1.79 0.00 0.00 174.94 172.00 1vk4 s GLU 107 N -2.21 0.35 0.00 0.37 2.02 -1.26 -5.04 118.70 112.92 1vk4 s GLU 107 Ca 0.56 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1vk4 s GLU 107 Cb -0.37 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 33.65 1vk4 s GLU 107 CO 0.47 0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1vk4 n GLY 108 N 2.32 0.66 0.19 -1.39 0.00 -1.26 -3.45 105.19 102.27 1vk4 n GLY 108 Ca -0.17 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.75 1vk4 n GLY 108 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1vk4 h GLU 109 N 0.00 0.00 -5.43 1.61 4.11 -0.92 -3.46 114.58 110.50 1vk4 h GLU 109 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.94 1vk4 h GLU 109 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 1vk4 h GLU 109 CO 0.00 0.00 -0.81 0.00 0.07 0.00 0.00 179.01 178.27 1vk4 s ALA 110 N -3.23 1.26 -0.06 1.06 0.00 -1.26 -1.19 121.76 118.34 1vk4 s ALA 110 Ca 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1vk4 s ALA 110 Cb 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1vk4 s ALA 110 CO 0.69 0.28 -0.11 0.08 0.00 0.00 0.00 175.76 176.71 1vk4 s VAL 111 N -0.59 0.99 -0.27 0.00 1.01 -0.47 -1.75 120.40 119.32 1vk4 s VAL 111 Ca 0.04 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1vk4 s VAL 111 Cb -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1vk4 s VAL 111 CO 0.00 0.32 0.04 -2.28 0.00 0.00 0.00 175.10 173.19 1vk4 s HIS 112 N 0.65 3.11 -0.37 5.22 2.46 -0.32 -1.41 115.29 124.62 1vk4 s HIS 112 Ca -0.13 -1.00 -0.27 0.00 0.47 0.00 0.00 55.06 54.14 1vk4 s HIS 112 Cb -0.15 -2.21 0.02 0.00 -0.13 0.00 0.00 32.58 30.11 1vk4 s HIS 112 CO 0.03 -0.57 0.96 0.42 -2.47 0.00 0.00 174.74 173.11 1vk4 s ILE 113 N 1.48 4.54 -0.47 0.89 1.01 0.03 -1.53 121.20 127.15 1vk4 s ILE 113 Ca 0.03 1.26 0.09 0.00 0.00 0.00 0.00 60.65 62.03 1vk4 s ILE 113 Cb -0.17 -4.37 0.34 0.00 0.01 0.00 0.00 42.46 38.28 1vk4 s ILE 113 CO 0.01 -0.58 0.83 -3.20 0.00 0.00 0.00 174.94 172.00 1vk4 n ASN 114 N 6.89 2.52 -4.89 3.58 2.85 0.10 -1.73 115.26 124.57 1vk4 n ASN 114 Ca 0.08 -3.32 -0.29 0.00 -0.11 0.00 0.00 54.58 50.95 1vk4 n ASN 114 Cb 0.48 -0.59 -0.00 0.00 1.24 0.00 0.00 39.78 40.90 1vk4 n ASN 114 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1vk4 s PRO 115 N -2.88 3.58 -0.05 1.20 0.05 -1.26 -4.40 135.00 131.24 1vk4 s PRO 115 Ca 0.44 0.37 0.20 0.00 0.05 0.00 0.00 61.00 62.06 1vk4 s PRO 115 Cb 0.31 -2.30 -0.25 0.00 0.05 0.00 0.00 34.50 32.32 1vk4 s PRO 115 CO -0.11 -0.28 0.46 1.28 0.05 0.00 0.00 177.00 178.40 1vk4 n LEU 116 N -2.29 0.24 -3.72 -3.56 4.77 -1.26 -3.20 117.00 107.99 1vk4 n LEU 116 Ca 0.02 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 1vk4 n LEU 116 Cb 0.55 0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 1vk4 n LEU 116 CO 0.54 0.18 0.10 -1.66 -1.33 0.00 0.00 177.39 175.22 1vk4 s TRP 117 N -3.04 -0.27 -0.06 -1.77 1.48 -1.26 -4.74 118.94 109.27 1vk4 s TRP 117 Ca -0.07 0.45 -0.30 0.00 -1.06 0.00 0.00 56.10 55.12 1vk4 s TRP 117 Cb 0.10 0.15 -0.06 0.00 -1.16 0.00 0.00 33.47 32.51 1vk4 s TRP 117 CO 0.85 -0.42 1.70 -0.47 -4.06 0.00 0.00 176.95 174.55 1vk4 s TYR 118 N -1.23 1.89 0.00 1.66 5.04 0.33 -2.13 117.35 122.91 1vk4 s TYR 118 Ca -0.13 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 1vk4 s TYR 118 Cb -0.04 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1vk4 s TYR 118 CO 0.05 -3.98 0.00 0.41 -1.34 0.00 0.00 175.55 170.69 1vk4 n GLY 119 N 4.24 1.28 0.19 8.97 0.00 -1.26 -4.71 105.19 113.90 1vk4 n GLY 119 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1vk4 n GLY 119 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vk4 h GLU 120 N 0.04 -0.35 -4.61 1.61 4.81 -1.74 -3.37 114.58 110.98 1vk4 h GLU 120 Ca 0.00 0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.58 1vk4 h GLU 120 Cb 0.00 0.08 -0.37 0.00 0.63 0.00 0.00 28.75 29.09 1vk4 h GLU 120 CO 0.00 -0.24 -0.65 0.12 -0.73 0.00 0.00 179.01 177.52 1vk4 s PHE 121 N -6.13 3.65 0.25 0.92 2.19 -1.26 -1.40 117.98 116.20 1vk4 s PHE 121 Ca -0.15 -2.66 -0.31 0.00 0.33 0.00 0.00 56.93 54.14 1vk4 s PHE 121 Cb 0.06 -2.98 -0.12 0.00 -1.31 0.00 0.00 43.02 38.67 1vk4 s PHE 121 CO 0.65 -0.95 1.62 -2.30 1.83 0.00 0.00 175.22 176.07 1vk4 n PRO 122 N 4.43 2.64 -0.00 10.12 -0.02 -1.26 -4.87 135.00 146.04 1vk4 n PRO 122 Ca -0.00 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.53 1vk4 n PRO 122 Cb 0.42 -2.74 0.53 0.00 -0.02 0.00 0.00 33.50 31.69 1vk4 n PRO 122 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1vk4 h GLU 123 N 5.45 0.32 0.00 -0.52 4.11 -1.97 -1.00 114.58 120.97 1vk4 h GLU 123 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1vk4 h GLU 123 Cb 1.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1vk4 h GLU 123 CO 0.85 0.21 0.00 -0.40 0.07 0.00 0.00 179.01 179.74 1vk4 n ASP 124 N -4.47 0.00 0.04 3.06 5.68 -1.26 -1.66 116.55 117.94 1vk4 n ASP 124 Ca 0.06 0.49 0.13 0.00 -0.50 0.00 0.00 54.79 54.98 1vk4 n ASP 124 Cb 0.29 -0.50 0.42 0.00 -1.14 0.00 0.00 41.12 40.20 1vk4 n ASP 124 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1vk4 n LEU 125 N -1.50 0.44 0.25 -2.12 4.77 -0.38 -4.18 117.00 114.28 1vk4 n LEU 125 Ca 0.02 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.24 1vk4 n LEU 125 Cb 0.12 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1vk4 n LEU 125 CO 0.09 -0.04 0.71 0.40 -1.33 0.00 0.00 177.39 177.22 1vk4 h ILE 126 N 0.00 0.51 -0.06 -0.08 2.04 -1.47 -0.36 117.51 118.08 1vk4 h ILE 126 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1vk4 h ILE 126 Cb 0.61 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1vk4 h ILE 126 CO 0.00 0.00 0.05 -0.65 0.00 0.00 0.00 178.15 177.55 1vk4 h PRO 127 N -0.62 0.00 -0.08 2.37 0.11 -1.77 -0.99 132.00 131.01 1vk4 h PRO 127 Ca -0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 1vk4 h PRO 127 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1vk4 h PRO 127 CO 0.07 0.00 -0.16 0.28 -0.21 0.00 0.00 178.00 177.97 1vk4 h VAL 128 N 0.00 1.40 -0.50 3.15 2.07 -1.66 -3.18 116.25 117.53 1vk4 h VAL 128 Ca 0.03 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 1vk4 h VAL 128 Cb 0.12 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1vk4 h VAL 128 CO -0.00 0.41 0.03 0.25 0.02 0.00 0.00 177.57 178.28 1vk4 h LEU 129 N -0.21 0.77 -1.62 2.57 5.85 -0.76 -2.19 115.31 119.72 1vk4 h LEU 129 Ca 0.00 -0.17 0.23 0.00 0.84 0.00 0.00 57.88 58.78 1vk4 h LEU 129 Cb 0.74 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1vk4 h LEU 129 CO 0.04 0.81 0.62 -0.09 -0.34 0.00 0.00 178.44 179.48 1vk4 h ARG 130 N 0.76 0.29 -0.04 1.25 9.65 -1.18 -0.71 114.38 124.40 1vk4 h ARG 130 Ca 0.15 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.95 1vk4 h ARG 130 Cb 0.41 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1vk4 h ARG 130 CO 0.01 0.19 -0.30 0.00 2.80 0.00 0.00 179.97 182.68 1vk4 h ARG 131 N 0.30 0.07 0.00 0.20 3.08 -1.38 -3.29 114.38 113.37 1vk4 h ARG 131 Ca 0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1vk4 h ARG 131 Cb 1.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1vk4 h ARG 131 CO -0.15 0.37 -1.36 1.63 -1.07 0.00 0.00 179.97 179.39 1vk4 n LYS 132 N -4.16 0.40 0.00 0.04 4.76 -0.29 -5.16 118.16 113.75 1vk4 n LYS 132 Ca -0.02 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1vk4 n LYS 132 Cb 0.36 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1vk4 n LYS 132 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1vk4 n VAL 133 N -2.07 0.00 -1.39 -0.18 3.14 -1.13 -5.05 118.33 111.66 1vk4 n VAL 133 Ca -0.00 0.00 -0.58 0.00 -2.96 0.00 0.00 64.34 60.80 1vk4 n VAL 133 Cb 0.48 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.16 1vk4 n VAL 133 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1vk4 n PHE 135 N 0.00 1.37 -4.40 1.45 -0.00 -0.34 -4.86 117.46 110.68 1vk4 n PHE 135 Ca 0.00 0.90 -0.33 0.00 -0.00 0.00 0.00 57.45 58.02 1vk4 n PHE 135 Cb 0.00 -1.99 -0.16 0.00 -0.00 0.00 0.00 39.48 37.33 1vk4 n PHE 135 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1vk4 s LEU 136 N 3.59 2.25 0.17 -2.13 2.96 -1.26 -1.36 118.68 122.90 1vk4 s LEU 136 Ca 0.97 -0.57 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1vk4 s LEU 136 Cb -1.33 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1vk4 s LEU 136 CO 0.67 0.05 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.68 1vk4 s SER 137 N 1.02 2.29 0.07 3.68 1.04 -0.50 -0.25 113.70 121.05 1vk4 s SER 137 Ca -0.02 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 1vk4 s SER 137 Cb -0.15 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 65.88 1vk4 s SER 137 CO -0.05 -0.20 0.19 0.00 0.98 0.00 0.00 173.24 174.16 1vk4 s ALA 138 N -2.85 -0.25 -0.21 5.32 0.00 -0.77 -0.79 121.76 122.20 1vk4 s ALA 138 Ca 0.18 -0.51 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 1vk4 s ALA 138 Cb -0.01 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1vk4 s ALA 138 CO 0.05 -0.45 0.05 0.34 0.00 0.00 0.00 175.76 175.75 1vk4 s ASP 139 N -2.58 5.29 0.55 0.00 -1.08 -0.71 -1.03 116.67 117.12 1vk4 s ASP 139 Ca 0.01 -0.08 0.28 0.00 -0.52 0.00 0.00 52.55 52.25 1vk4 s ASP 139 Cb 0.03 -1.92 1.46 0.00 -1.46 0.00 0.00 42.92 41.03 1vk4 s ASP 139 CO -0.08 0.08 1.95 0.00 0.52 0.00 0.00 175.17 177.63 1vk4 h ALA 140 N 7.38 2.44 -0.96 3.66 0.00 -1.25 -2.46 119.26 128.08 1vk4 h ALA 140 Ca -0.36 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.70 1vk4 h ALA 140 Cb 1.18 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1vk4 h ALA 140 CO 0.63 -0.76 0.56 0.37 0.00 0.00 0.00 179.25 180.05 1vk4 h GLN 141 N 0.00 0.72 0.00 0.00 4.15 -1.84 0.19 115.11 118.33 1vk4 h GLN 141 Ca 0.27 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1vk4 h GLN 141 Cb 1.20 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1vk4 h GLN 141 CO -0.00 0.48 0.00 0.41 -1.93 0.00 0.00 178.83 177.79 1vk4 n GLY 142 N -1.33 -0.74 0.00 2.39 0.00 -0.93 -2.20 105.19 102.38 1vk4 n GLY 142 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1vk4 n GLY 142 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vk4 n PHE 143 N -1.39 0.00 0.00 1.61 3.72 0.57 -3.40 117.46 118.56 1vk4 n PHE 143 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1vk4 n PHE 143 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1vk4 n PHE 143 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1vk4 n VAL 144 N -0.93 0.00 -3.04 -4.37 0.24 -0.67 -4.24 118.33 105.32 1vk4 n VAL 144 Ca 0.00 -0.28 -0.44 0.00 -2.04 0.00 0.00 64.34 61.58 1vk4 n VAL 144 Cb 0.00 0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 33.11 1vk4 n VAL 144 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1vk4 s ARG 145 N -1.37 3.10 -0.18 7.34 0.52 -0.93 -0.96 118.95 126.46 1vk4 s ARG 145 Ca 0.00 -1.23 -0.06 0.00 -0.52 0.00 0.00 55.73 53.92 1vk4 s ARG 145 Cb 0.00 -4.29 -0.03 0.00 0.52 0.00 0.00 34.95 31.15 1vk4 s ARG 145 CO 0.00 -1.63 0.02 0.08 0.02 0.00 0.00 175.30 173.80 1vk4 s VAL 146 N 3.02 4.34 -0.03 3.52 1.01 0.14 -0.52 120.40 131.88 1vk4 s VAL 146 Ca 0.15 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1vk4 s VAL 146 Cb -0.21 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1vk4 s VAL 146 CO 0.06 0.45 1.16 -2.16 0.00 0.00 0.00 175.10 174.62 1vk4 s PRO 147 N 0.57 4.40 -0.26 2.72 0.04 -1.26 -0.29 135.00 140.91 1vk4 s PRO 147 Ca 0.01 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1vk4 s PRO 147 Cb -0.14 -3.50 0.08 0.00 0.04 0.00 0.00 34.50 30.99 1vk4 s PRO 147 CO 0.02 -0.36 0.06 -1.21 0.04 0.00 0.00 177.00 175.55 1vk4 s GLU 148 N 1.83 0.82 -1.32 4.56 2.02 0.73 -4.75 118.70 122.60 1vk4 s GLU 148 Ca 0.55 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 1vk4 s GLU 148 Cb -0.25 -2.12 -0.00 0.00 0.10 0.00 0.00 34.13 31.86 1vk4 s GLU 148 CO 0.24 -0.83 0.60 0.09 0.02 0.00 0.00 175.26 175.38 1vk4 n ASN 149 N 4.88 -1.50 0.00 -0.19 3.02 -1.26 -2.37 115.26 117.83 1vk4 n ASN 149 Ca -0.05 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1vk4 n ASN 149 Cb 0.44 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.04 1vk4 n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1vk4 n GLU 150 N -4.29 0.00 -2.22 3.52 1.02 -1.26 -4.98 120.64 112.43 1vk4 n GLU 150 Ca -0.27 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.45 1vk4 n GLU 150 Cb 0.67 -0.61 -0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1vk4 n GLU 150 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1vk4 s LYS 151 N 0.00 4.35 -0.37 3.49 2.20 -1.00 0.87 119.74 129.28 1vk4 s LYS 151 Ca 0.00 2.02 -0.24 0.00 -0.36 0.00 0.00 55.97 57.39 1vk4 s LYS 151 Cb 0.00 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1vk4 s LYS 151 CO 0.00 -0.39 0.82 -0.51 -0.36 0.00 0.00 175.35 174.91 1vk4 s LEU 152 N 0.98 4.10 0.16 5.43 1.43 -0.03 -0.19 118.68 130.56 1vk4 s LEU 152 Ca 0.63 0.39 0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1vk4 s LEU 152 Cb -0.35 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1vk4 s LEU 152 CO 0.31 -0.77 -0.24 0.68 0.23 0.00 0.00 176.35 176.56 1vk4 s VAL 153 N 3.20 2.18 -0.29 -1.59 -7.23 0.60 -4.59 120.40 112.68 1vk4 s VAL 153 Ca 0.33 -1.87 -0.25 0.00 -1.81 0.00 0.00 61.98 58.38 1vk4 s VAL 153 Cb -0.13 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.84 1vk4 s VAL 153 CO 0.18 -0.06 0.89 -0.31 -0.31 0.00 0.00 175.10 175.48 1vk4 s TYR 154 N -1.44 3.21 0.06 2.82 2.02 -1.26 -0.69 117.35 122.08 1vk4 s TYR 154 Ca 0.16 1.01 0.05 0.00 -0.37 0.00 0.00 57.07 57.93 1vk4 s TYR 154 Cb -0.09 -3.32 -0.03 0.00 -0.40 0.00 0.00 41.96 38.12 1vk4 s TYR 154 CO 0.07 -0.59 -0.15 1.03 -1.57 0.00 0.00 175.55 174.35 1vk4 s ARG 155 N 3.14 0.92 0.55 -0.62 1.81 -0.14 -4.99 118.95 119.62 1vk4 s ARG 155 Ca 0.37 -0.88 -0.21 0.00 -1.72 0.00 0.00 55.73 53.28 1vk4 s ARG 155 Cb -0.14 -0.96 -0.05 0.00 -0.45 0.00 0.00 34.95 33.35 1vk4 s ARG 155 CO 0.12 0.23 1.24 -3.47 -0.68 0.00 0.00 175.30 172.73 1vk4 n ASP 156 N 1.56 2.11 -4.50 0.23 2.03 -1.26 -4.38 116.55 112.34 1vk4 n ASP 156 Ca -0.19 0.95 -0.42 0.00 0.52 0.00 0.00 54.79 55.64 1vk4 n ASP 156 Cb 0.54 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.40 1vk4 n ASP 156 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1vk4 s TRP 157 N -1.33 2.48 -0.75 -0.67 -0.00 -1.26 -4.92 118.94 112.48 1vk4 s TRP 157 Ca 0.72 -0.31 0.00 0.00 -0.00 0.00 0.00 56.10 56.50 1vk4 s TRP 157 Cb -0.43 -4.46 0.00 0.00 -0.00 0.00 0.00 33.47 28.57 1vk4 s TRP 157 CO 0.49 -1.86 0.00 0.39 -0.00 0.00 0.00 176.95 175.97 1vk4 n GLU 158 N 8.53 0.00 0.00 5.86 -0.58 -1.26 -4.71 120.64 128.48 1vk4 n GLU 158 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1vk4 n GLU 158 Cb 0.47 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 1vk4 n GLU 158 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1vk4 n LYS 160 N 0.42 0.00 0.15 3.49 2.85 -1.26 -4.93 118.16 118.88 1vk4 n LYS 160 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 1vk4 n LYS 160 Cb 0.00 0.00 0.45 0.00 -0.65 0.00 0.00 35.03 34.83 1vk4 n LYS 160 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1vk4 h GLU 161 N 0.00 0.00 0.00 -1.58 5.08 -1.84 -1.32 114.58 114.92 1vk4 h GLU 161 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1vk4 h GLU 161 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1vk4 h GLU 161 CO 0.00 0.00 -0.88 0.87 -1.00 0.00 0.00 179.01 178.00 1vk4 h LYS 162 N 0.00 0.00 0.00 2.33 1.79 -1.92 -3.41 116.57 115.36 1vk4 h LYS 162 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vk4 h LYS 162 Cb 0.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1vk4 h LYS 162 CO 0.00 0.88 -1.31 0.66 -1.08 0.00 0.00 179.45 178.60 1vk4 n TYR 163 N -3.44 0.00 0.08 -1.35 4.01 -0.99 -4.64 117.16 110.84 1vk4 n TYR 163 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1vk4 n TYR 163 Cb 0.85 -0.16 0.30 0.00 -0.31 0.00 0.00 39.34 40.03 1vk4 n TYR 163 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1vk4 h LEU 164 N 0.00 0.29 -2.11 7.72 3.38 -1.48 -2.19 115.31 120.93 1vk4 h LEU 164 Ca -0.00 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1vk4 h LEU 164 Cb 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1vk4 h LEU 164 CO 0.00 0.53 0.29 0.07 0.09 0.00 0.00 178.44 179.42 1vk4 h LYS 165 N 0.27 0.00 -0.02 1.13 2.10 -1.78 -2.18 116.57 116.10 1vk4 h LYS 165 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1vk4 h LYS 165 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1vk4 h LYS 165 CO 0.04 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.15 1vk4 n TYR 166 N -3.91 0.01 -4.17 0.07 4.01 -0.82 -4.83 117.16 107.52 1vk4 n TYR 166 Ca 0.04 -0.01 -0.34 0.00 -0.16 0.00 0.00 57.90 57.43 1vk4 n TYR 166 Cb 0.45 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.36 1vk4 n TYR 166 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1vk4 s LEU 167 N -1.90 3.41 0.45 7.72 1.43 -0.82 -4.81 118.68 124.16 1vk4 s LEU 167 Ca 0.41 -0.10 0.23 0.00 -1.03 0.00 0.00 54.13 53.64 1vk4 s LEU 167 Cb 0.20 -1.85 1.04 0.00 0.03 0.00 0.00 46.19 45.61 1vk4 s LEU 167 CO 0.33 0.13 1.90 0.44 0.23 0.00 0.00 176.35 179.38 1vk4 h ASP 168 N 7.02 0.00 -3.74 2.29 3.32 -0.93 -3.39 116.42 120.99 1vk4 h ASP 168 Ca -0.34 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.58 1vk4 h ASP 168 Cb 1.18 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.48 1vk4 h ASP 168 CO 0.64 0.24 -0.26 -0.22 -1.72 0.00 0.00 179.24 177.91 1vk4 s LEU 169 N -7.22 0.37 -0.11 1.55 0.20 -1.10 -3.64 118.68 108.73 1vk4 s LEU 169 Ca -0.01 0.81 0.02 0.00 0.69 0.00 0.00 54.13 55.64 1vk4 s LEU 169 Cb 0.12 1.35 0.01 0.00 -0.43 0.00 0.00 46.19 47.24 1vk4 s LEU 169 CO 0.64 -0.15 -0.15 0.12 -0.29 0.00 0.00 176.35 176.52 1vk4 s PHE 170 N 0.47 1.98 -0.16 5.38 5.36 -0.45 -1.85 117.98 128.71 1vk4 s PHE 170 Ca -0.02 -0.92 -0.06 0.00 -0.96 0.00 0.00 56.93 54.97 1vk4 s PHE 170 Cb -0.04 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.18 1vk4 s PHE 170 CO -0.02 -0.47 0.03 0.21 -1.46 0.00 0.00 175.22 173.50 1vk4 s LYS 171 N 0.95 3.75 0.04 10.12 2.36 -0.20 -1.15 119.74 135.61 1vk4 s LYS 171 Ca -0.07 -0.40 0.03 0.00 -2.55 0.00 0.00 55.97 52.97 1vk4 s LYS 171 Cb -0.15 -3.07 -0.02 0.00 -1.05 0.00 0.00 37.83 33.54 1vk4 s LYS 171 CO -0.01 0.33 -0.09 0.08 1.55 0.00 0.00 175.35 177.22 1vk4 s VAL 172 N 0.17 0.63 0.46 4.02 1.01 0.27 -0.67 120.40 126.30 1vk4 s VAL 172 Ca 0.02 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1vk4 s VAL 172 Cb -0.13 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1vk4 s VAL 172 CO 0.01 -0.23 0.63 1.51 0.00 0.00 0.00 175.10 177.02 1vk4 s ASP 173 N -1.27 5.53 0.22 3.32 -4.77 -1.26 -1.39 116.67 117.04 1vk4 s ASP 173 Ca -0.06 -0.42 -0.09 0.00 -3.30 0.00 0.00 52.55 48.68 1vk4 s ASP 173 Cb -0.08 -0.56 0.33 0.00 -1.09 0.00 0.00 42.92 41.52 1vk4 s ASP 173 CO 0.01 -0.89 1.67 0.28 0.70 0.00 0.00 175.17 176.93 1vk4 h SER 174 N 0.50 -0.18 -0.45 2.11 0.02 -1.81 -1.46 113.55 112.28 1vk4 h SER 174 Ca -0.39 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1vk4 h SER 174 Cb 1.28 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.05 1vk4 h SER 174 CO 0.45 -0.09 0.17 -0.09 -1.14 0.00 0.00 176.83 176.14 1vk4 h ARG 175 N 0.16 0.68 -0.67 3.45 1.12 -1.96 -2.99 114.38 114.17 1vk4 h ARG 175 Ca 0.34 -0.13 -0.05 0.00 -1.11 0.00 0.00 59.98 59.03 1vk4 h ARG 175 Cb 0.56 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.38 1vk4 h ARG 175 CO -0.51 0.63 0.21 0.93 -3.11 0.00 0.00 179.97 178.12 1vk4 h GLU 176 N 0.59 1.02 -0.30 0.20 5.08 -1.88 -2.74 114.58 116.56 1vk4 h GLU 176 Ca 0.15 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1vk4 h GLU 176 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1vk4 h GLU 176 CO -0.01 0.87 0.16 0.00 -1.00 0.00 0.00 179.01 179.04 1vk4 h ALA 177 N 1.24 0.38 -0.48 3.43 0.00 -1.14 -1.84 119.26 120.86 1vk4 h ALA 177 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1vk4 h ALA 177 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1vk4 h ALA 177 CO -0.01 -0.09 0.04 1.49 0.00 0.00 0.00 179.25 180.68 1vk4 h GLU 178 N 0.36 0.77 -0.89 0.00 4.81 -1.42 -1.49 114.58 116.73 1vk4 h GLU 178 Ca 0.10 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1vk4 h GLU 178 Cb 0.06 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1vk4 h GLU 178 CO -0.02 0.75 0.58 1.15 -0.73 0.00 0.00 179.01 180.74 1vk4 h THR 179 N 0.73 1.18 0.00 0.32 2.02 -1.16 0.77 112.91 116.76 1vk4 h THR 179 Ca 0.15 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1vk4 h THR 179 Cb 0.39 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1vk4 h THR 179 CO 0.01 0.21 -0.21 -0.07 0.37 0.00 0.00 175.52 175.83 1vk4 h LEU 180 N 1.15 0.00 0.00 2.58 3.38 -0.47 -3.39 115.31 118.55 1vk4 h LEU 180 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1vk4 h LEU 180 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1vk4 h LEU 180 CO -0.10 0.21 -0.68 0.35 0.09 0.00 0.00 178.44 178.31 1vk4 n THR 181 N -3.19 0.00 -1.03 0.22 -2.24 -0.65 -5.00 114.28 102.38 1vk4 n THR 181 Ca 0.02 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1vk4 n THR 181 Cb 0.56 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1vk4 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vk4 n GLY 182 N 1.72 0.50 3.06 3.38 0.00 0.24 -5.03 105.19 109.06 1vk4 n GLY 182 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1vk4 n GLY 182 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1vk4 s THR 183 N -1.95 0.46 -1.35 2.61 -1.32 -1.26 -5.01 115.64 107.81 1vk4 s THR 183 Ca 0.00 -1.18 0.25 0.00 -1.21 0.00 0.00 61.69 59.55 1vk4 s THR 183 Cb 0.00 -0.70 0.09 0.00 -1.51 0.00 0.00 72.50 70.38 1vk4 s THR 183 CO 0.00 -0.49 1.42 -0.46 -2.21 0.00 0.00 174.62 172.88 1vk4 n ASN 184 N 1.25 0.82 -4.55 8.08 6.94 -1.26 -4.01 115.26 122.53 1vk4 n ASN 184 Ca -0.21 -0.62 -0.39 0.00 -0.02 0.00 0.00 54.58 53.34 1vk4 n ASN 184 Cb 0.56 0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 38.22 1vk4 n ASN 184 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1vk4 s ASP 185 N -2.78 5.46 0.47 0.53 -1.08 -1.26 -4.84 116.67 113.17 1vk4 s ASP 185 Ca 0.16 0.17 0.13 0.00 -0.52 0.00 0.00 52.55 52.49 1vk4 s ASP 185 Cb 0.18 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 40.20 1vk4 s ASP 185 CO 0.64 -2.26 2.08 0.25 0.52 0.00 0.00 175.17 176.39 1vk4 h LEU 186 N 15.70 0.11 -0.27 -1.34 5.85 -1.98 -0.27 115.31 133.12 1vk4 h LEU 186 Ca -0.26 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1vk4 h LEU 186 Cb 1.14 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1vk4 h LEU 186 CO 1.23 0.14 0.01 0.03 -0.34 0.00 0.00 178.44 179.51 1vk4 h ARG 187 N 0.13 0.47 -0.42 1.25 3.08 -1.99 -1.43 114.38 115.47 1vk4 h ARG 187 Ca 0.03 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 1vk4 h ARG 187 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1vk4 h ARG 187 CO 0.00 0.62 -0.04 1.49 -1.07 0.00 0.00 179.97 180.97 1vk4 h GLU 188 N 0.27 0.71 -0.73 0.04 4.57 -1.62 -2.12 114.58 115.69 1vk4 h GLU 188 Ca 0.08 -0.20 0.07 0.00 -1.18 0.00 0.00 59.36 58.13 1vk4 h GLU 188 Cb 0.40 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 1vk4 h GLU 188 CO 0.01 0.75 0.41 0.77 -1.18 0.00 0.00 179.01 179.78 1vk4 h SER 189 N 0.66 0.61 -0.70 1.04 0.02 -0.91 0.08 113.55 114.35 1vk4 h SER 189 Ca 0.13 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1vk4 h SER 189 Cb 0.47 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1vk4 h SER 189 CO 0.02 0.38 0.45 0.00 -1.14 0.00 0.00 176.83 176.54 1vk4 h ARG 191 N 0.95 0.17 -0.14 0.00 3.08 -0.74 -0.63 114.38 117.06 1vk4 h ARG 191 Ca 0.25 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1vk4 h ARG 191 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1vk4 h ARG 191 CO -0.05 0.12 0.08 0.82 -1.07 0.00 0.00 179.97 179.86 1vk4 h ILE 192 N 0.17 1.10 -0.61 2.04 2.04 -0.80 -1.57 117.51 119.88 1vk4 h ILE 192 Ca 0.05 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1vk4 h ILE 192 Cb -0.01 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1vk4 h ILE 192 CO -0.01 0.09 0.19 0.40 0.00 0.00 0.00 178.15 178.82 1vk4 h ILE 193 N 0.12 1.23 -0.84 -0.67 2.04 -0.64 -1.22 117.51 117.53 1vk4 h ILE 193 Ca 0.05 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1vk4 h ILE 193 Cb 0.09 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1vk4 h ILE 193 CO -0.01 0.31 0.54 -0.09 0.00 0.00 0.00 178.15 178.90 1vk4 h ARG 194 N 0.90 1.01 0.00 2.37 2.43 -0.93 -1.90 114.38 118.25 1vk4 h ARG 194 Ca 0.20 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1vk4 h ARG 194 Cb 0.27 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1vk4 h ARG 194 CO -0.01 0.67 -0.06 0.66 -1.51 0.00 0.00 179.97 179.72 1vk4 h SER 195 N 1.04 0.00 0.46 -3.80 4.64 -0.22 -1.41 113.55 114.26 1vk4 h SER 195 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1vk4 h SER 195 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1vk4 h SER 195 CO -0.12 0.06 0.00 0.49 -0.87 0.00 0.00 176.83 176.39 1vk4 n PHE 196 N -4.43 0.00 0.00 4.77 3.72 -0.70 -4.90 117.46 115.91 1vk4 n PHE 196 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1vk4 n PHE 196 Cb 0.14 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 1vk4 n PHE 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vk4 n GLY 197 N 0.47 1.23 3.64 1.37 0.00 -0.53 -4.48 105.19 106.89 1vk4 n GLY 197 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1vk4 n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vk4 s ALA 198 N -2.00 3.59 0.12 4.61 0.00 -1.15 -3.41 121.76 123.51 1vk4 s ALA 198 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1vk4 s ALA 198 Cb 0.00 -3.48 -0.18 0.00 0.00 0.00 0.00 23.12 19.46 1vk4 s ALA 198 CO 0.00 -1.19 1.26 0.87 0.00 0.00 0.00 175.76 176.70 1vk4 h LYS 199 N 7.84 0.13 -4.73 0.00 6.56 -1.84 -3.37 116.57 121.16 1vk4 h LYS 199 Ca -0.21 -0.20 -0.54 0.00 -1.06 0.00 0.00 60.65 58.64 1vk4 h LYS 199 Cb 1.08 0.07 -0.33 0.00 -0.57 0.00 0.00 32.23 32.47 1vk4 h LYS 199 CO 0.95 1.06 -0.82 0.42 -2.06 0.00 0.00 179.45 178.99 1vk4 s ILE 200 N -2.81 1.27 -0.07 1.86 1.01 -1.24 -4.41 121.20 116.82 1vk4 s ILE 200 Ca -0.01 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1vk4 s ILE 200 Cb 0.09 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1vk4 s ILE 200 CO 0.84 0.38 -0.24 -0.63 0.00 0.00 0.00 174.94 175.30 1vk4 s ILE 201 N 0.54 2.15 -0.20 2.92 1.01 -0.59 -1.34 121.20 125.68 1vk4 s ILE 201 Ca -0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 1vk4 s ILE 201 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1vk4 s ILE 201 CO 0.04 0.57 -0.12 -0.22 0.00 0.00 0.00 174.94 175.21 1vk4 s LEU 202 N -0.07 2.53 -0.16 2.97 0.20 -0.30 -0.98 118.68 122.87 1vk4 s LEU 202 Ca -0.06 -0.51 0.01 0.00 0.69 0.00 0.00 54.13 54.26 1vk4 s LEU 202 Cb -0.14 -1.61 0.02 0.00 -0.43 0.00 0.00 46.19 44.02 1vk4 s LEU 202 CO 0.05 -0.01 -0.19 0.00 -0.29 0.00 0.00 176.35 175.91 1vk4 s ALA 203 N 1.36 2.13 -0.06 5.97 0.00 0.66 -0.56 121.76 131.26 1vk4 s ALA 203 Ca 0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1vk4 s ALA 203 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1vk4 s ALA 203 CO -0.08 -0.26 0.11 0.95 0.00 0.00 0.00 175.76 176.49 1vk4 s THR 204 N 1.20 5.09 0.31 0.00 -4.23 -0.49 -0.58 115.64 116.94 1vk4 s THR 204 Ca 0.01 -0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 1vk4 s THR 204 Cb -0.14 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 1vk4 s THR 204 CO -0.09 0.48 0.14 0.00 -0.54 0.00 0.00 174.62 174.61 1vk4 n HIS 205 N 1.56 -0.04 0.25 3.99 1.44 -0.26 -2.04 115.22 120.12 1vk4 n HIS 205 Ca -0.16 -2.10 0.12 0.00 -2.01 0.00 0.00 57.72 53.57 1vk4 n HIS 205 Cb 0.54 0.04 0.67 0.00 0.12 0.00 0.00 29.99 31.36 1vk4 n HIS 205 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1vk4 h ALA 206 N 1.60 1.26 -0.12 1.59 0.00 -2.00 -3.08 119.26 118.51 1vk4 h ALA 206 Ca -0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1vk4 h ALA 206 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1vk4 h ALA 206 CO 0.37 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 1vk4 n SER 207 N -3.64 2.19 0.00 0.00 3.41 -1.26 -4.96 113.62 109.35 1vk4 n SER 207 Ca -0.02 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1vk4 n SER 207 Cb 0.27 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1vk4 n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vk4 n GLY 208 N 0.05 -1.24 3.17 5.00 0.00 -1.17 -0.80 105.19 110.20 1vk4 n GLY 208 Ca 0.05 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 1vk4 n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vk4 s VAL 209 N -3.00 1.22 -0.10 1.61 0.11 -0.19 -1.10 120.40 118.95 1vk4 s VAL 209 Ca 0.00 -1.12 0.01 0.00 -2.93 0.00 0.00 61.98 57.93 1vk4 s VAL 209 Cb 0.00 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1vk4 s VAL 209 CO 0.00 -0.02 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.01 1vk4 s ILE 210 N -0.95 1.16 -0.06 7.04 1.01 0.25 -2.34 121.20 127.31 1vk4 s ILE 210 Ca 0.02 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1vk4 s ILE 210 Cb -0.09 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1vk4 s ILE 210 CO 0.02 0.38 -0.09 -0.69 0.00 0.00 0.00 174.94 174.56 1vk4 s VAL 211 N 1.22 3.53 -0.06 2.92 1.01 0.67 -0.25 120.40 129.44 1vk4 s VAL 211 Ca -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1vk4 s VAL 211 Cb -0.14 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1vk4 s VAL 211 CO -0.03 0.60 0.02 0.12 0.00 0.00 0.00 175.10 175.80 1vk4 s PHE 212 N -0.78 0.45 -0.12 5.22 5.36 -0.15 -0.66 117.98 127.30 1vk4 s PHE 212 Ca 0.12 -0.02 0.15 0.00 -0.96 0.00 0.00 56.93 56.22 1vk4 s PHE 212 Cb -0.11 -0.67 0.29 0.00 -0.34 0.00 0.00 43.02 42.19 1vk4 s PHE 212 CO 0.01 -0.27 1.15 -0.40 -1.46 0.00 0.00 175.22 174.25 1vk4 n ASP 213 N 5.13 1.70 0.00 6.13 5.75 -1.26 -1.54 116.55 132.46 1vk4 n ASP 213 Ca -0.07 -3.04 0.00 0.00 -0.01 0.00 0.00 54.79 51.67 1vk4 n ASP 213 Cb 0.50 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1vk4 n ASP 213 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vk4 n GLY 214 N -0.97 2.21 3.41 6.12 0.00 -1.26 -4.96 105.19 109.74 1vk4 n GLY 214 Ca 0.13 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1vk4 n GLY 214 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vk4 s ASN 215 N -0.19 3.19 -0.03 1.61 0.01 -1.26 -5.15 114.94 113.12 1vk4 s ASN 215 Ca 0.00 -0.98 -0.20 0.00 -0.71 0.00 0.00 52.86 50.98 1vk4 s ASN 215 Cb 0.00 -0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.38 1vk4 s ASN 215 CO 0.00 -0.01 0.56 -0.36 -1.51 0.00 0.00 177.10 175.78 1vk4 s PHE 216 N -2.42 3.65 -0.11 2.20 0.08 -1.26 -4.09 117.98 116.02 1vk4 s PHE 216 Ca 0.25 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.43 1vk4 s PHE 216 Cb -0.05 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.84 1vk4 s PHE 216 CO 0.11 0.33 -0.12 0.71 -0.10 0.00 0.00 175.22 176.15 1vk4 s TYR 217 N -0.06 1.76 0.06 0.36 2.02 0.16 -4.99 117.35 116.66 1vk4 s TYR 217 Ca 0.30 -0.87 0.07 0.00 -0.37 0.00 0.00 57.07 56.19 1vk4 s TYR 217 Cb -0.17 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1vk4 s TYR 217 CO 0.16 -0.51 -0.18 -1.21 -1.57 0.00 0.00 175.55 172.23 1vk4 s GLU 218 N 1.33 1.13 -0.07 -0.62 2.02 -1.26 -0.24 118.70 121.00 1vk4 s GLU 218 Ca -0.01 -0.95 -0.19 0.00 0.02 0.00 0.00 54.97 53.85 1vk4 s GLU 218 Cb -0.14 -1.25 0.04 0.00 0.10 0.00 0.00 34.13 32.89 1vk4 s GLU 218 CO -0.06 0.31 0.43 0.00 0.02 0.00 0.00 175.26 175.96 1vk4 s ALA 219 N -0.95 -1.10 0.27 5.21 0.00 -0.99 -4.86 121.76 119.34 1vk4 s ALA 219 Ca 0.05 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1vk4 s ALA 219 Cb -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1vk4 s ALA 219 CO 0.02 -0.27 0.31 -1.12 0.00 0.00 0.00 175.76 174.70 1vk4 s SER 220 N -0.81 5.82 0.08 0.00 0.01 -1.26 -1.02 113.70 116.52 1vk4 s SER 220 Ca -0.09 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 1vk4 s SER 220 Cb -0.03 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 1vk4 s SER 220 CO 0.04 -0.16 0.03 0.72 0.41 0.00 0.00 173.24 174.28 1vk4 s PHE 221 N -2.12 0.60 0.04 2.43 -0.12 0.02 -4.73 117.98 114.09 1vk4 s PHE 221 Ca 0.37 -1.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1vk4 s PHE 221 Cb -0.08 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.90 1vk4 s PHE 221 CO 0.28 -0.45 -0.05 1.03 -0.05 0.00 0.00 175.22 175.98 1vk4 s ARG 222 N -3.96 0.45 0.30 1.99 0.52 -1.26 -4.53 118.95 112.46 1vk4 s ARG 222 Ca 0.13 -0.77 0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1vk4 s ARG 222 Cb 0.07 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.46 1vk4 s ARG 222 CO -0.06 -0.02 -0.12 -1.54 0.02 0.00 0.00 175.30 173.58 1vk4 s SER 223 N -1.76 3.81 -0.08 0.23 1.04 -1.26 -4.49 113.70 111.19 1vk4 s SER 223 Ca -0.10 -1.03 -0.19 0.00 0.48 0.00 0.00 55.95 55.12 1vk4 s SER 223 Cb -0.07 -0.40 -0.29 0.00 0.10 0.00 0.00 66.02 65.36 1vk4 s SER 223 CO -0.02 -0.07 0.69 -0.50 0.98 0.00 0.00 173.24 174.32 1vk4 h TRP 224 N 2.10 0.46 -4.03 5.02 4.06 -1.90 -3.48 115.95 118.17 1vk4 h TRP 224 Ca -0.41 -0.34 -0.18 0.00 2.06 0.00 0.00 58.89 60.02 1vk4 h TRP 224 Cb 1.25 -0.02 -0.10 0.00 -1.00 0.00 0.00 29.16 29.30 1vk4 h TRP 224 CO 0.77 1.44 -0.25 -1.54 -3.56 0.00 0.00 178.44 175.30 1vk4 s SER 225 N -6.99 0.36 0.20 -3.49 1.04 -1.26 -5.04 113.70 98.51 1vk4 s SER 225 Ca -0.17 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 54.89 1vk4 s SER 225 Cb 0.03 0.58 0.24 0.00 0.10 0.00 0.00 66.02 66.96 1vk4 s SER 225 CO 0.79 -1.14 1.68 0.25 0.98 0.00 0.00 173.24 175.79 1vk4 h LEU 226 N 2.27 -0.20 -1.32 2.42 5.85 -2.02 -1.64 115.31 120.67 1vk4 h LEU 226 Ca -0.29 0.13 0.25 0.00 0.84 0.00 0.00 57.88 58.81 1vk4 h LEU 226 Cb 1.25 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 42.40 1vk4 h LEU 226 CO 0.40 -0.07 0.65 -0.33 -0.34 0.00 0.00 178.44 178.75 1vk4 h GLU 227 N 0.14 0.43 0.00 1.25 5.08 -1.96 -1.96 114.58 117.55 1vk4 h GLU 227 Ca 0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1vk4 h GLU 227 Cb 0.43 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1vk4 h GLU 227 CO -0.45 0.28 0.00 0.78 -1.00 0.00 0.00 179.01 178.63 1vk4 h GLY 228 N 0.44 0.00 2.00 -3.84 0.00 -1.47 -3.33 103.07 96.86 1vk4 h GLY 228 Ca 0.59 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.74 1vk4 h GLY 228 CO -0.31 0.00 -0.84 3.21 0.00 0.00 0.00 176.54 178.61 1vk4 h ARG 229 N 0.00 0.00 -6.74 4.80 3.08 -1.43 -3.44 114.38 110.65 1vk4 h ARG 229 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1vk4 h ARG 229 Cb 0.46 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.58 1vk4 h ARG 229 CO 0.00 0.84 0.84 0.99 -1.07 0.00 0.00 179.97 181.57 1vk4 s THR 230 N -2.92 2.39 0.00 2.04 2.01 -1.25 -1.91 115.64 116.00 1vk4 s THR 230 Ca 0.01 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1vk4 s THR 230 Cb 0.10 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1vk4 s THR 230 CO 0.79 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 1vk4 n GLY 231 N 2.53 0.75 0.27 4.40 0.00 -1.26 -4.65 105.19 107.23 1vk4 n GLY 231 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1vk4 n GLY 231 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1vk4 h ARG 232 N 3.46 -0.29 -0.38 1.61 2.43 -1.69 -1.23 114.38 118.29 1vk4 h ARG 232 Ca 0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1vk4 h ARG 232 Cb 0.00 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1vk4 h ARG 232 CO 0.00 -0.19 0.11 0.78 -1.51 0.00 0.00 179.97 179.16 1vk4 h GLY 233 N -0.30 0.65 1.38 2.80 0.00 -1.94 -1.13 103.07 104.53 1vk4 h GLY 233 Ca 0.10 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1vk4 h GLY 233 CO -0.30 0.37 -0.35 -0.55 0.00 0.00 0.00 176.54 175.71 1vk4 h ASP 234 N 0.48 0.72 -0.22 0.19 3.32 -1.91 -1.12 116.42 117.88 1vk4 h ASP 234 Ca 0.12 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1vk4 h ASP 234 Cb 0.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1vk4 h ASP 234 CO -0.00 1.01 0.10 0.74 -1.72 0.00 0.00 179.24 179.37 1vk4 h THR 235 N 0.58 1.15 -0.53 0.35 2.02 -1.12 -2.10 112.91 113.26 1vk4 h THR 235 Ca 0.06 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1vk4 h THR 235 Cb 0.87 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1vk4 h THR 235 CO 0.08 0.15 0.12 0.00 0.37 0.00 0.00 175.52 176.23 1vk4 h THR 237 N 0.74 1.11 -0.67 0.00 2.02 -1.16 -1.23 112.91 113.72 1vk4 h THR 237 Ca 0.16 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1vk4 h THR 237 Cb 0.35 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1vk4 h THR 237 CO 0.00 0.11 0.18 0.00 0.37 0.00 0.00 175.52 176.18 1vk4 h ALA 238 N 0.98 1.04 -0.41 6.16 0.00 -1.27 -1.23 119.26 124.54 1vk4 h ALA 238 Ca 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1vk4 h ALA 238 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1vk4 h ALA 238 CO -0.01 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.71 1vk4 h ALA 239 N 1.18 0.95 -0.22 0.00 0.00 -1.18 -0.71 119.26 119.28 1vk4 h ALA 239 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1vk4 h ALA 239 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vk4 h ALA 239 CO -0.00 0.61 0.05 0.35 0.00 0.00 0.00 179.25 180.26 1vk4 h PHE 240 N 0.68 0.38 -0.75 0.00 3.57 -0.63 -0.65 116.94 119.54 1vk4 h PHE 240 Ca 0.11 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1vk4 h PHE 240 Cb 0.65 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1vk4 h PHE 240 CO 0.03 0.48 0.49 -0.07 -2.23 0.00 0.00 178.31 177.01 1vk4 h LEU 241 N 0.17 0.83 -0.01 0.59 3.38 -0.97 -0.12 115.31 119.18 1vk4 h LEU 241 Ca 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1vk4 h LEU 241 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1vk4 h LEU 241 CO 0.00 0.58 -0.07 0.58 0.09 0.00 0.00 178.44 179.63 1vk4 h VAL 242 N 0.98 0.81 -0.39 1.22 2.07 -0.91 0.02 116.25 120.05 1vk4 h VAL 242 Ca 0.29 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.79 1vk4 h VAL 242 Cb -0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1vk4 h VAL 242 CO -0.09 0.00 0.17 1.23 0.02 0.00 0.00 177.57 178.90 1vk4 h GLY 243 N -0.12 0.61 0.00 2.17 0.00 -0.56 -0.03 103.07 105.14 1vk4 h GLY 243 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1vk4 h GLY 243 CO -0.08 0.30 -0.05 -2.75 0.00 0.00 0.00 176.54 173.96 1vk4 h PHE 244 N 0.48 0.00 0.14 5.60 3.57 -1.03 -2.52 116.94 123.19 1vk4 h PHE 244 Ca 0.13 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.36 1vk4 h PHE 244 Cb 0.16 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.91 1vk4 h PHE 244 CO -0.01 1.01 -1.31 0.28 -2.23 0.00 0.00 178.31 176.05 1vk4 h VAL 245 N -1.00 1.17 0.00 1.41 2.07 -1.11 -3.29 116.25 115.50 1vk4 h VAL 245 Ca -0.01 -2.48 -0.38 0.00 0.82 0.00 0.00 66.70 64.65 1vk4 h VAL 245 Cb 1.00 2.88 -0.07 0.00 -1.52 0.00 0.00 31.29 33.58 1vk4 h VAL 245 CO -0.01 0.74 -2.46 0.49 0.02 0.00 0.00 177.57 176.35 1vk4 n PHE 246 N -3.91 0.00 1.11 1.57 3.72 -0.82 -4.25 117.46 114.88 1vk4 n PHE 246 Ca -0.21 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.32 1vk4 n PHE 246 Cb 0.92 -0.99 0.40 0.00 -0.94 0.00 0.00 39.48 38.88 1vk4 n PHE 246 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1vk4 n LYS 247 N -3.23 0.25 -2.47 -1.08 5.02 -0.09 -5.03 118.16 111.53 1vk4 n LYS 247 Ca -0.45 -0.12 -0.04 0.00 -2.02 0.00 0.00 58.31 55.68 1vk4 n LYS 247 Cb 0.99 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.47 1vk4 n LYS 247 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1vk4 n LYS 248 N -1.27 -4.56 -3.94 1.97 4.76 -0.95 -4.97 118.16 109.20 1vk4 n LYS 248 Ca 0.08 3.42 -0.22 0.00 -2.87 0.00 0.00 58.31 58.73 1vk4 n LYS 248 Cb 0.33 -4.80 -0.02 0.00 -1.84 0.00 0.00 35.03 28.70 1vk4 n LYS 248 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1vk4 s SER 250 N -0.62 6.32 0.29 4.39 1.04 -1.26 -5.00 113.70 118.86 1vk4 s SER 250 Ca -0.21 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 1vk4 s SER 250 Cb 0.01 -1.87 0.45 0.00 0.10 0.00 0.00 66.02 64.72 1vk4 s SER 250 CO 0.56 -0.07 1.93 -0.29 0.98 0.00 0.00 173.24 176.35 1vk4 h ILE 251 N 1.19 1.14 -0.17 -1.02 2.10 -1.97 0.38 117.51 119.16 1vk4 h ILE 251 Ca -0.52 -0.38 -0.01 0.00 1.08 0.00 0.00 64.86 65.03 1vk4 h ILE 251 Cb 1.23 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 1vk4 h ILE 251 CO 0.62 0.20 0.07 -0.08 -1.08 0.00 0.00 178.15 177.88 1vk4 h GLU 252 N 1.12 0.26 -0.05 2.19 4.81 -1.99 -1.35 114.58 119.57 1vk4 h GLU 252 Ca 0.36 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1vk4 h GLU 252 Cb 0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1vk4 h GLU 252 CO -0.11 0.33 -0.42 0.87 -0.73 0.00 0.00 179.01 178.94 1vk4 h LYS 253 N 0.13 0.10 -0.28 1.92 1.79 -1.86 -2.08 116.57 116.29 1vk4 h LYS 253 Ca 0.06 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 1vk4 h LYS 253 Cb 0.16 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1vk4 h LYS 253 CO -0.01 0.51 -0.35 0.00 -1.08 0.00 0.00 179.45 178.53 1vk4 h ALA 254 N 1.49 0.87 0.03 3.86 0.00 -0.83 0.16 119.26 124.83 1vk4 h ALA 254 Ca 0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1vk4 h ALA 254 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vk4 h ALA 254 CO 0.06 0.63 -0.01 1.15 0.00 0.00 0.00 179.25 181.08 1vk4 h THR 255 N 0.52 1.16 -0.87 0.00 2.02 -1.00 -0.60 112.91 114.14 1vk4 h THR 255 Ca 0.06 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1vk4 h THR 255 Cb 0.84 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 1vk4 h THR 255 CO 0.07 0.15 0.54 0.11 0.37 0.00 0.00 175.52 176.76 1vk4 h LYS 256 N -0.28 1.16 -0.57 6.66 1.57 -1.25 -2.33 116.57 121.53 1vk4 h LYS 256 Ca -0.00 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1vk4 h LYS 256 Cb 0.27 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1vk4 h LYS 256 CO 0.01 0.80 0.28 0.35 -0.57 0.00 0.00 179.45 180.31 1vk4 h PHE 257 N 1.19 0.82 -0.39 -1.35 3.57 -0.82 -1.46 116.94 118.50 1vk4 h PHE 257 Ca 0.31 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1vk4 h PHE 257 Cb -0.08 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1vk4 h PHE 257 CO 0.00 0.63 0.19 0.00 -2.23 0.00 0.00 178.31 176.90 1vk4 h ALA 258 N 1.11 0.51 -0.72 2.41 0.00 -0.82 -0.14 119.26 121.61 1vk4 h ALA 258 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1vk4 h ALA 258 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1vk4 h ALA 258 CO -0.03 0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.71 1vk4 h ALA 259 N 1.04 0.92 -0.49 0.00 0.00 -1.29 -1.36 119.26 118.07 1vk4 h ALA 259 Ca 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1vk4 h ALA 259 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1vk4 h ALA 259 CO -0.02 0.41 0.08 0.00 0.00 0.00 0.00 179.25 179.72 1vk4 h ALA 260 N 1.21 0.65 -0.72 0.00 0.00 -0.77 -0.03 119.26 119.61 1vk4 h ALA 260 Ca 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vk4 h ALA 260 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1vk4 h ALA 260 CO -0.04 0.39 0.38 0.28 0.00 0.00 0.00 179.25 180.25 1vk4 h VAL 261 N 0.69 1.23 -0.40 0.00 2.07 -0.89 -2.08 116.25 116.87 1vk4 h VAL 261 Ca 0.15 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1vk4 h VAL 261 Cb 0.40 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1vk4 h VAL 261 CO 0.01 0.25 0.15 0.74 0.02 0.00 0.00 177.57 178.74 1vk4 h THR 262 N 1.00 1.20 -0.95 2.57 2.02 -0.88 -2.44 112.91 115.43 1vk4 h THR 262 Ca 0.25 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.84 1vk4 h THR 262 Cb 0.06 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1vk4 h THR 262 CO -0.04 0.23 0.61 0.28 0.37 0.00 0.00 175.52 176.97 1vk4 h SER 263 N 0.49 1.00 -0.08 4.18 0.02 -0.78 -2.87 113.55 115.52 1vk4 h SER 263 Ca 0.13 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1vk4 h SER 263 Cb 0.21 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1vk4 h SER 263 CO -0.01 0.67 -0.36 -0.37 -1.14 0.00 0.00 176.83 175.63 1vk4 h VAL 264 N 1.16 1.29 0.00 2.27 -1.51 -1.14 -3.17 116.25 115.15 1vk4 h VAL 264 Ca 0.39 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.35 1vk4 h VAL 264 Cb 0.06 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1vk4 h VAL 264 CO -0.14 0.47 0.05 1.17 -1.23 0.00 0.00 177.57 177.90 1vk4 n LYS 265 N -4.05 0.48 0.00 5.19 0.00 -0.94 -4.55 118.16 114.28 1vk4 n LYS 265 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.19 1vk4 n LYS 265 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.09 1vk4 n LYS 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vk4 n ARG 267 N 2.12 0.00 -3.68 1.64 1.74 -1.20 -4.68 116.66 112.59 1vk4 n ARG 267 Ca 0.05 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.03 1vk4 n ARG 267 Cb 0.23 -3.38 -0.03 0.00 -1.02 0.00 0.00 32.46 28.26 1vk4 n ARG 267 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1vk4 s HIS 268 N -0.76 -0.20 0.76 -1.55 -3.43 -1.26 -4.69 115.29 104.17 1vk4 s HIS 268 Ca 0.00 -0.13 -0.12 0.00 -0.80 0.00 0.00 55.06 54.01 1vk4 s HIS 268 Cb 0.00 0.41 0.06 0.00 -1.43 0.00 0.00 32.58 31.62 1vk4 s HIS 268 CO 0.00 -0.89 1.13 -2.14 -2.00 0.00 0.00 174.74 170.84 1vk4 s PRO 269 N -3.85 2.13 0.18 -0.38 0.02 -1.26 -4.27 135.00 127.57 1vk4 s PRO 269 Ca 0.07 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1vk4 s PRO 269 Cb -0.01 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1vk4 s PRO 269 CO -0.05 -1.77 0.00 0.41 -0.33 0.00 0.00 177.00 175.26 1vk4 n GLY 270 N -0.44 -2.18 3.73 0.52 0.00 -1.26 -4.97 105.19 100.59 1vk4 n GLY 270 Ca 0.11 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1vk4 n GLY 270 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vk4 s PRO 271 N -1.06 1.38 0.29 1.61 0.04 -1.26 -4.95 135.00 131.05 1vk4 s PRO 271 Ca 0.00 0.82 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 1vk4 s PRO 271 Cb 0.00 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.57 1vk4 s PRO 271 CO 0.00 -2.16 0.83 -0.11 0.04 0.00 0.00 177.00 175.60 1vk4 n LEU 272 N -3.83 0.80 -4.58 -3.56 7.94 -1.26 -5.00 117.00 107.51 1vk4 n LEU 272 Ca 0.07 1.13 -0.25 0.00 -1.11 0.00 0.00 56.01 55.85 1vk4 n LEU 272 Cb 0.55 -1.18 -0.09 0.00 0.53 0.00 0.00 43.42 43.23 1vk4 n LEU 272 CO 0.55 -2.00 -0.39 -0.13 -1.11 0.00 0.00 177.39 174.32 1vk4 s ARG 273 N -1.43 2.09 0.26 1.96 0.52 -1.26 -4.89 118.95 116.21 1vk4 s ARG 273 Ca 0.61 -1.36 -0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1vk4 s ARG 273 Cb -0.74 -2.12 0.43 0.00 0.52 0.00 0.00 34.95 33.03 1vk4 s ARG 273 CO 0.59 0.40 1.85 -0.09 0.02 0.00 0.00 175.30 178.07 1vk4 h ARG 274 N 2.54 1.00 0.00 3.54 2.43 -1.96 -0.96 114.38 120.96 1vk4 h ARG 274 Ca -0.45 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1vk4 h ARG 274 Cb 1.22 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1vk4 h ARG 274 CO 0.57 0.66 0.01 1.05 -1.51 0.00 0.00 179.97 180.75 1vk4 h GLU 275 N 1.03 0.00 0.00 0.20 9.09 -2.02 -2.58 114.58 120.30 1vk4 h GLU 275 Ca 0.43 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.75 1vk4 h GLU 275 Cb 0.28 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 1vk4 h GLU 275 CO -0.21 0.00 -0.63 -0.44 0.05 0.00 0.00 179.01 177.79 1vk4 h ASP 276 N 0.00 0.00 -0.88 3.06 3.32 -1.56 -3.39 116.42 116.97 1vk4 h ASP 276 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1vk4 h ASP 276 Cb 0.03 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 1vk4 h ASP 276 CO 0.00 0.41 0.57 -0.07 -1.72 0.00 0.00 179.24 178.43 1vk4 h LEU 277 N 0.00 0.81 -1.58 1.55 3.38 -1.51 -0.48 115.31 117.49 1vk4 h LEU 277 Ca -0.03 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1vk4 h LEU 277 Cb 1.34 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1vk4 h LEU 277 CO 0.05 0.50 0.43 -0.08 0.09 0.00 0.00 178.44 179.43 1vk4 h GLU 278 N 0.91 0.46 0.00 1.13 4.57 -1.79 -1.82 114.58 118.04 1vk4 h GLU 278 Ca 0.40 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1vk4 h GLU 278 Cb 0.34 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1vk4 h GLU 278 CO -0.16 0.30 0.00 0.00 -1.18 0.00 0.00 179.01 177.97 1vk4 n ALA 279 N -2.51 2.27 -0.04 2.92 0.00 -0.19 -4.03 120.51 118.93 1vk4 n ALA 279 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1vk4 n ALA 279 Cb 0.38 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 1vk4 n ALA 279 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1vk4 h ILE 280 N 0.00 1.07 -0.01 0.00 2.04 -1.39 -3.49 117.51 115.73 1vk4 h ILE 280 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1vk4 h ILE 280 Cb 0.49 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1vk4 h ILE 280 CO 0.00 0.07 0.00 -1.20 0.00 0.00 0.00 178.15 177.02