#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk5 s SER 37 N 0.00 6.42 0.00 1.61 0.15 -1.26 -2.64 113.70 117.97 1vk5 s SER 37 Ca 0.00 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.51 1vk5 s SER 37 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1vk5 s SER 37 CO 0.00 -0.92 0.00 0.18 1.20 0.00 0.00 173.24 173.70 1vk5 n LEU 38 N 3.26 0.28 -0.15 3.45 4.77 -1.26 -4.81 117.00 122.54 1vk5 n LEU 38 Ca 0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 1vk5 n LEU 38 Cb 0.37 -0.81 0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1vk5 n LEU 38 CO 0.63 -0.23 0.71 -0.07 -1.33 0.00 0.00 177.39 177.11 1vk5 h LEU 39 N 0.00 0.96 0.05 2.23 3.38 -1.88 -1.12 115.31 118.93 1vk5 h LEU 39 Ca 0.00 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1vk5 h LEU 39 Cb 0.17 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1vk5 h LEU 39 CO 0.00 1.11 -0.02 0.03 0.09 0.00 0.00 178.44 179.65 1vk5 h ARG 40 N 0.83 -0.07 -0.09 1.13 3.08 -1.91 -0.86 114.38 116.49 1vk5 h ARG 40 Ca 0.12 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 1vk5 h ARG 40 Cb 0.73 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1vk5 h ARG 40 CO 0.06 0.01 -0.58 0.07 -1.07 0.00 0.00 179.97 178.46 1vk5 h ARG 41 N -0.13 0.29 -0.42 0.04 0.11 -1.97 -1.77 114.38 110.54 1vk5 h ARG 41 Ca -0.01 -0.19 -0.07 0.00 0.10 0.00 0.00 59.98 59.81 1vk5 h ARG 41 Cb 0.11 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1vk5 h ARG 41 CO 0.01 0.79 -0.02 0.00 0.10 0.00 0.00 179.97 180.85 1vk5 h ALA 42 N 1.17 0.56 -0.16 0.08 0.00 -1.04 -0.39 119.26 119.48 1vk5 h ALA 42 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1vk5 h ALA 42 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1vk5 h ALA 42 CO 0.09 0.36 0.10 1.49 0.00 0.00 0.00 179.25 181.29 1vk5 h GLU 43 N 0.58 0.22 -0.91 0.00 4.81 -0.98 -0.64 114.58 117.66 1vk5 h GLU 43 Ca 0.12 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1vk5 h GLU 43 Cb 0.51 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1vk5 h GLU 43 CO 0.02 0.20 0.60 0.52 -0.73 0.00 0.00 179.01 179.63 1vk5 h MET 44 N 0.18 1.19 0.10 1.92 2.86 -1.22 -0.54 114.93 119.43 1vk5 h MET 44 Ca 0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1vk5 h MET 44 Cb 0.04 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1vk5 h MET 44 CO -0.01 0.79 -0.05 -0.92 1.06 0.00 0.00 176.91 177.78 1vk5 h TYR 45 N 1.23 -0.13 -0.30 -0.22 3.20 -0.79 -2.06 116.97 117.89 1vk5 h TYR 45 Ca 0.33 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 1vk5 h TYR 45 Cb -0.14 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1vk5 h TYR 45 CO 0.00 0.18 -0.24 0.37 -1.64 0.00 0.00 178.16 176.83 1vk5 h GLN 46 N -0.45 0.59 -0.49 1.82 5.75 -1.00 -0.67 115.11 120.66 1vk5 h GLN 46 Ca -0.01 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1vk5 h GLN 46 Cb 0.37 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1vk5 h GLN 46 CO 0.02 0.79 0.17 -0.44 -2.65 0.00 0.00 178.83 176.72 1vk5 h ASP 47 N 0.52 0.65 0.03 -0.69 3.32 -1.10 -0.69 116.42 118.47 1vk5 h ASP 47 Ca 0.07 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1vk5 h ASP 47 Cb 0.70 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1vk5 h ASP 47 CO 0.05 0.61 -0.02 0.22 -1.72 0.00 0.00 179.24 178.39 1vk5 h TYR 48 N 0.71 -0.04 -0.44 4.55 3.20 -0.89 -3.30 116.97 120.76 1vk5 h TYR 48 Ca 0.17 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1vk5 h TYR 48 Cb 0.18 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1vk5 h TYR 48 CO 0.01 0.50 0.01 0.52 -1.64 0.00 0.00 178.16 177.57 1vk5 h MET 49 N -0.61 0.71 0.00 1.82 2.86 -0.93 -2.11 114.93 116.67 1vk5 h MET 49 Ca -0.00 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1vk5 h MET 49 Cb 0.56 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1vk5 h MET 49 CO 0.01 0.72 -0.04 1.57 1.06 0.00 0.00 176.91 180.22 1vk5 h LYS 50 N 0.67 0.00 -0.01 1.72 2.10 -1.22 -2.12 116.57 117.71 1vk5 h LYS 50 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1vk5 h LYS 50 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1vk5 h LYS 50 CO 0.01 0.04 -0.27 1.04 -2.00 0.00 0.00 179.45 178.28 1vk5 n GLN 51 N -3.53 0.84 -2.72 0.07 6.02 -0.80 -4.83 117.38 112.44 1vk5 n GLN 51 Ca -0.02 -0.51 -0.43 0.00 -0.01 0.00 0.00 57.00 56.03 1vk5 n GLN 51 Cb 0.15 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 1vk5 n GLN 51 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vk5 s VAL 52 N -2.51 4.70 0.43 5.09 1.01 -0.80 -5.01 120.40 123.31 1vk5 s VAL 52 Ca 0.24 1.88 -0.24 0.00 0.00 0.00 0.00 61.98 63.86 1vk5 s VAL 52 Cb 0.19 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 1vk5 s VAL 52 CO 0.52 -0.19 1.15 -2.16 0.00 0.00 0.00 175.10 174.43 1vk5 s PRO 53 N 3.16 3.91 0.08 2.72 0.04 -1.26 -4.99 135.00 138.65 1vk5 s PRO 53 Ca 0.42 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1vk5 s PRO 53 Cb -0.15 -2.51 -0.06 0.00 0.04 0.00 0.00 34.50 31.82 1vk5 s PRO 53 CO 0.07 -0.42 1.18 0.42 0.04 0.00 0.00 177.00 178.30 1vk5 s ILE 54 N -1.52 4.02 0.21 0.56 -1.09 -1.26 -4.97 121.20 117.14 1vk5 s ILE 54 Ca 0.61 1.48 -0.32 0.00 -2.23 0.00 0.00 60.65 60.19 1vk5 s ILE 54 Cb -0.28 -3.95 -0.13 0.00 -1.58 0.00 0.00 42.46 36.51 1vk5 s ILE 54 CO 0.35 0.13 1.53 -2.65 -1.23 0.00 0.00 174.94 173.07 1vk5 n PRO 55 N 3.71 2.21 -0.01 2.79 -0.02 -1.26 -4.90 135.00 137.52 1vk5 n PRO 55 Ca 0.08 0.79 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 1vk5 n PRO 55 Cb 0.46 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 1vk5 n PRO 55 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1vk5 h THR 56 N 3.40 0.83 -3.44 3.45 1.35 -2.06 -3.45 112.91 113.00 1vk5 h THR 56 Ca -0.45 -2.66 -0.59 0.00 -0.55 0.00 0.00 66.41 62.16 1vk5 h THR 56 Cb 1.25 2.45 -0.10 0.00 -1.73 0.00 0.00 68.15 70.03 1vk5 h THR 56 CO 0.84 0.58 -0.11 0.20 -0.25 0.00 0.00 175.52 176.77 1vk5 s ASN 57 N -6.30 6.55 0.09 5.36 0.01 -1.26 -5.06 114.94 114.33 1vk5 s ASN 57 Ca -0.08 0.65 0.06 0.00 -0.71 0.00 0.00 52.86 52.78 1vk5 s ASN 57 Cb 0.08 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 1vk5 s ASN 57 CO 0.82 -0.11 -0.07 -0.13 -1.51 0.00 0.00 177.10 176.10 1vk5 s ARG 58 N 1.31 2.29 0.00 -0.60 1.81 -1.26 -5.14 118.95 117.36 1vk5 s ARG 58 Ca 0.23 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 1vk5 s ARG 58 Cb -0.15 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 1vk5 s ARG 58 CO 0.09 0.52 0.00 0.41 -0.68 0.00 0.00 175.30 175.65 1vk5 n GLY 59 N 0.73 -0.55 3.87 -3.53 0.00 -1.26 -5.09 105.19 99.36 1vk5 n GLY 59 Ca -0.13 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 1vk5 n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vk5 s SER 60 N -1.00 4.21 0.42 1.61 0.01 -1.26 -4.98 113.70 112.71 1vk5 s SER 60 Ca 0.00 0.82 -0.26 0.00 1.31 0.00 0.00 55.95 57.82 1vk5 s SER 60 Cb 0.00 -1.33 -0.10 0.00 0.21 0.00 0.00 66.02 64.81 1vk5 s SER 60 CO 0.00 -2.09 1.36 0.00 0.41 0.00 0.00 173.24 172.92 1vk5 n LEU 61 N -3.45 4.50 -4.28 2.44 -0.00 -1.26 -4.97 117.00 109.98 1vk5 n LEU 61 Ca 0.08 1.13 -0.39 0.00 -0.00 0.00 0.00 56.01 56.84 1vk5 n LEU 61 Cb 0.61 -1.55 -0.12 0.00 -0.00 0.00 0.00 43.42 42.35 1vk5 n LEU 61 CO 0.57 -0.35 -0.21 -0.63 -0.00 0.00 0.00 177.39 176.76 1vk5 s ILE 62 N -1.18 3.97 0.45 1.47 1.01 -1.26 -5.05 121.20 120.60 1vk5 s ILE 62 Ca 0.60 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.84 1vk5 s ILE 62 Cb -0.49 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1vk5 s ILE 62 CO 0.59 -0.26 1.41 -2.65 0.00 0.00 0.00 174.94 174.03 1vk5 n PRO 63 N 4.85 2.20 -3.62 2.79 -0.02 -1.26 -4.73 135.00 135.21 1vk5 n PRO 63 Ca -0.12 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1vk5 n PRO 63 Cb 0.44 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 1vk5 n PRO 63 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1vk5 s PHE 64 N -1.19 -0.38 0.00 6.00 -0.12 -1.26 -4.90 117.98 116.13 1vk5 s PHE 64 Ca 0.61 0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.96 1vk5 s PHE 64 Cb -0.46 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1vk5 s PHE 64 CO 0.58 -0.58 0.33 0.25 -0.05 0.00 0.00 175.22 175.75 1vk5 n THR 65 N 0.66 0.00 -3.68 -4.49 -2.24 -1.26 -2.49 114.28 100.78 1vk5 n THR 65 Ca -0.19 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1vk5 n THR 65 Cb 0.59 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.87 1vk5 n THR 65 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vk5 s SER 66 N -0.22 -0.18 0.19 3.42 1.04 -1.26 -4.34 113.70 112.35 1vk5 s SER 66 Ca 0.00 -0.39 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 1vk5 s SER 66 Cb 0.00 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.67 1vk5 s SER 66 CO 0.00 -0.85 1.63 -0.50 0.98 0.00 0.00 173.24 174.50 1vk5 h TRP 67 N 2.42 1.12 -0.66 5.02 4.06 -1.96 -0.40 115.95 125.55 1vk5 h TRP 67 Ca -0.34 -0.22 -0.07 0.00 2.06 0.00 0.00 58.89 60.33 1vk5 h TRP 67 Cb 1.25 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 29.10 1vk5 h TRP 67 CO 0.34 1.02 0.13 0.28 -3.56 0.00 0.00 178.44 176.65 1vk5 h VAL 68 N 0.91 1.26 -0.43 1.49 2.07 -1.97 -0.85 116.25 118.73 1vk5 h VAL 68 Ca 0.15 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1vk5 h VAL 68 Cb 0.63 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1vk5 h VAL 68 CO 0.04 0.38 0.23 1.23 0.02 0.00 0.00 177.57 179.47 1vk5 h GLY 69 N 0.99 0.59 0.95 2.17 0.00 -1.87 -0.54 103.07 105.37 1vk5 h GLY 69 Ca 0.20 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1vk5 h GLY 69 CO 0.01 0.13 0.55 -2.00 0.00 0.00 0.00 176.54 175.23 1vk5 h LEU 70 N 0.47 0.93 -1.20 3.11 5.85 -0.78 -1.63 115.31 122.06 1vk5 h LEU 70 Ca 0.18 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1vk5 h LEU 70 Cb 0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1vk5 h LEU 70 CO -0.11 0.66 0.09 0.77 -0.34 0.00 0.00 178.44 179.51 1vk5 h SER 71 N 1.09 0.60 -0.25 1.25 4.64 -0.49 -0.02 113.55 120.37 1vk5 h SER 71 Ca 0.32 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1vk5 h SER 71 Cb -0.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1vk5 h SER 71 CO -0.09 0.61 -0.05 0.40 -0.87 0.00 0.00 176.83 176.83 1vk5 h ILE 72 N 0.63 1.28 -0.68 0.95 2.04 -0.68 -0.12 117.51 120.94 1vk5 h ILE 72 Ca 0.14 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.03 1vk5 h ILE 72 Cb 0.26 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1vk5 h ILE 72 CO -0.00 0.33 0.35 0.28 0.00 0.00 0.00 178.15 179.11 1vk5 h SER 73 N 0.22 0.49 -0.56 1.72 0.02 -0.86 0.27 113.55 114.85 1vk5 h SER 73 Ca 0.06 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1vk5 h SER 73 Cb 0.51 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1vk5 h SER 73 CO 0.02 0.30 0.16 0.24 -1.14 0.00 0.00 176.83 176.42 1vk5 h MET 74 N 0.63 0.89 -0.68 3.45 2.86 -0.74 0.30 114.93 121.64 1vk5 h MET 74 Ca 0.32 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1vk5 h MET 74 Cb 0.27 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1vk5 h MET 74 CO -0.22 0.81 0.37 0.87 1.06 0.00 0.00 176.91 179.80 1vk5 h LYS 75 N 0.80 0.95 -0.05 1.72 1.57 -0.59 -0.28 116.57 120.68 1vk5 h LYS 75 Ca 0.18 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1vk5 h LYS 75 Cb 0.31 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1vk5 h LYS 75 CO -0.00 0.71 0.03 1.96 -0.57 0.00 0.00 179.45 181.57 1vk5 h GLN 76 N 0.93 0.08 0.08 3.15 4.20 -0.64 -0.36 115.11 122.55 1vk5 h GLN 76 Ca 0.24 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.67 1vk5 h GLN 76 Cb 0.04 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 27.83 1vk5 h GLN 76 CO -0.04 0.15 -1.09 -0.07 -0.67 0.00 0.00 178.83 177.11 1vk5 h LEU 77 N -0.02 0.81 0.00 1.46 3.38 -0.82 -3.33 115.31 116.80 1vk5 h LEU 77 Ca 0.02 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1vk5 h LEU 77 Cb 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1vk5 h LEU 77 CO -0.00 1.53 -1.15 -1.22 0.09 0.00 0.00 178.44 177.69 1vk5 n TYR 78 N -3.89 0.29 -3.16 1.13 4.01 -0.13 -5.00 117.16 110.42 1vk5 n TYR 78 Ca -0.13 0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 1vk5 n TYR 78 Cb 0.91 -0.47 0.05 0.00 -0.31 0.00 0.00 39.34 39.52 1vk5 n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vk5 n GLY 79 N 1.34 -0.39 3.28 2.72 0.00 -0.15 -5.02 105.19 106.97 1vk5 n GLY 79 Ca 0.01 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1vk5 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vk5 s GLN 80 N -5.82 1.10 0.69 1.61 -0.21 -1.25 -4.82 119.66 110.96 1vk5 s GLN 80 Ca 0.37 -1.17 -0.13 0.00 0.02 0.00 0.00 55.36 54.45 1vk5 s GLN 80 Cb -0.17 -1.30 0.01 0.00 1.00 0.00 0.00 33.01 32.56 1vk5 s GLN 80 CO 0.46 0.29 1.08 -1.25 -2.12 0.00 0.00 175.29 173.76 1vk5 s PRO 81 N -2.04 2.80 0.23 2.91 0.04 -1.26 -4.50 135.00 133.18 1vk5 s PRO 81 Ca 0.07 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.35 1vk5 s PRO 81 Cb -0.09 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1vk5 s PRO 81 CO 0.04 -1.22 0.06 -0.51 0.04 0.00 0.00 177.00 175.41 1vk5 s LEU 82 N -5.27 3.44 0.48 -3.56 1.43 -1.26 -5.08 118.68 108.86 1vk5 s LEU 82 Ca 0.62 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 1vk5 s LEU 82 Cb -0.17 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 43.96 1vk5 s LEU 82 CO 0.48 0.02 1.04 -2.28 0.23 0.00 0.00 176.35 175.85 1vk5 s HIS 83 N -2.08 2.99 0.28 0.29 5.65 -1.26 -4.47 115.29 116.69 1vk5 s HIS 83 Ca 0.31 1.58 -0.06 0.00 0.25 0.00 0.00 55.06 57.14 1vk5 s HIS 83 Cb -0.08 -3.08 0.51 0.00 -1.18 0.00 0.00 32.58 28.74 1vk5 s HIS 83 CO 0.21 -0.87 1.53 0.98 -0.65 0.00 0.00 174.74 175.94 1vk5 n TYR 84 N -0.93 0.40 0.19 3.88 9.36 -1.25 -0.36 117.16 128.45 1vk5 n TYR 84 Ca 0.09 1.19 0.03 0.00 3.32 0.00 0.00 57.90 62.54 1vk5 n TYR 84 Cb 0.52 -1.10 0.38 0.00 -0.63 0.00 0.00 39.34 38.52 1vk5 n TYR 84 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1vk5 h LEU 85 N 0.00 0.00 -0.05 2.98 3.38 -1.92 -0.69 115.31 119.01 1vk5 h LEU 85 Ca 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.39 1vk5 h LEU 85 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1vk5 h LEU 85 CO -0.99 0.36 -0.25 0.74 0.09 0.00 0.00 178.44 178.39 1vk5 h THR 86 N 0.00 1.45 -0.67 0.22 2.02 -1.06 -1.78 112.91 113.09 1vk5 h THR 86 Ca -0.00 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1vk5 h THR 86 Cb 0.66 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.43 1vk5 h THR 86 CO 0.05 0.48 0.44 0.78 0.37 0.00 0.00 175.52 177.63 1vk5 h ASN 87 N -0.27 0.77 -0.17 4.18 2.35 -0.51 -0.29 115.58 121.64 1vk5 h ASN 87 Ca -0.02 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1vk5 h ASN 87 Cb 0.90 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1vk5 h ASN 87 CO 0.05 0.57 -0.06 0.58 -1.65 0.00 0.00 177.43 176.92 1vk5 h VAL 88 N 0.91 1.30 -0.67 2.81 2.07 -1.16 -2.41 116.25 119.09 1vk5 h VAL 88 Ca 0.24 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1vk5 h VAL 88 Cb -0.09 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1vk5 h VAL 88 CO -0.05 0.32 0.43 0.25 0.02 0.00 0.00 177.57 178.53 1vk5 h LEU 89 N 0.03 0.71 -0.72 2.57 5.85 -0.81 -1.13 115.31 121.81 1vk5 h LEU 89 Ca 0.04 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1vk5 h LEU 89 Cb 0.52 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1vk5 h LEU 89 CO 0.02 0.50 0.19 -0.07 -0.34 0.00 0.00 178.44 178.73 1vk5 h LEU 90 N 0.84 1.09 -0.99 2.25 3.38 -1.04 0.01 115.31 120.86 1vk5 h LEU 90 Ca 0.26 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1vk5 h LEU 90 Cb -0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1vk5 h LEU 90 CO -0.09 1.04 0.23 -0.61 0.09 0.00 0.00 178.44 179.10 1vk5 h GLN 91 N 1.09 0.96 -0.44 1.13 4.15 -1.13 -1.40 115.11 119.48 1vk5 h GLN 91 Ca 0.23 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 1vk5 h GLN 91 Cb 0.36 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1vk5 h GLN 91 CO 0.00 0.81 -0.13 0.00 -1.93 0.00 0.00 178.83 177.57 1vk5 h ARG 92 N 0.94 0.82 -0.77 1.69 3.08 -0.59 0.48 114.38 120.04 1vk5 h ARG 92 Ca 0.22 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1vk5 h ARG 92 Cb 0.22 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1vk5 h ARG 92 CO -0.01 0.91 0.30 -1.49 -1.07 0.00 0.00 179.97 178.61 1vk5 h TRP 93 N 0.74 1.19 -0.46 3.04 6.55 -0.60 -0.64 115.95 125.76 1vk5 h TRP 93 Ca 0.12 -0.09 -0.05 0.00 0.95 0.00 0.00 58.89 59.82 1vk5 h TRP 93 Cb 0.63 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.56 1vk5 h TRP 93 CO 0.03 0.90 0.11 -0.44 -1.05 0.00 0.00 178.44 178.00 1vk5 h ASP 94 N 1.13 0.71 -0.03 -3.49 3.32 -0.80 -2.99 116.42 114.26 1vk5 h ASP 94 Ca 0.26 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1vk5 h ASP 94 Cb 0.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1vk5 h ASP 94 CO -0.02 0.76 -0.06 1.56 -1.72 0.00 0.00 179.24 179.76 1vk5 h GLN 95 N 0.62 0.23 0.00 3.56 4.20 -0.61 -2.40 115.11 120.72 1vk5 h GLN 95 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1vk5 h GLN 95 Cb 0.33 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1vk5 h GLN 95 CO 0.00 0.31 0.00 0.66 -0.67 0.00 0.00 178.83 179.13 1vk5 h SER 96 N 0.23 0.00 1.33 1.46 4.64 -0.96 -2.44 113.55 117.81 1vk5 h SER 96 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1vk5 h SER 96 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1vk5 h SER 96 CO 0.01 0.00 -0.21 0.03 -0.87 0.00 0.00 176.83 175.79 1vk5 h ARG 97 N 0.00 0.00 -6.87 4.77 3.08 -1.51 -3.46 114.38 110.38 1vk5 h ARG 97 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1vk5 h ARG 97 Cb 0.26 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.35 1vk5 h ARG 97 CO 0.00 0.00 0.49 -0.06 -1.07 0.00 0.00 179.97 179.33 1vk5 s PHE 98 N -3.14 3.35 0.00 3.04 0.40 -0.92 -3.24 117.98 117.48 1vk5 s PHE 98 Ca 0.09 1.62 0.00 0.00 -0.60 0.00 0.00 56.93 58.04 1vk5 s PHE 98 Cb 0.12 -3.34 0.00 0.00 0.51 0.00 0.00 43.02 40.31 1vk5 s PHE 98 CO 0.64 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 176.08 1vk5 n GLY 99 N 0.90 0.73 3.77 4.36 0.00 -1.26 -5.05 105.19 108.63 1vk5 n GLY 99 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1vk5 n GLY 99 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1vk5 s THR 100 N -2.16 2.85 -0.13 2.61 -1.32 -1.20 -4.92 115.64 111.37 1vk5 s THR 100 Ca 0.00 0.63 0.27 0.00 -1.21 0.00 0.00 61.69 61.38 1vk5 s THR 100 Cb 0.00 -3.32 0.33 0.00 -1.51 0.00 0.00 72.50 68.00 1vk5 s THR 100 CO 0.00 -0.01 1.78 0.44 -2.21 0.00 0.00 174.62 174.62 1vk5 h ASP 101 N 1.88 0.00 -4.29 8.08 3.32 -1.96 -3.46 116.42 119.98 1vk5 h ASP 101 Ca -0.50 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.04 1vk5 h ASP 101 Cb 1.26 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.91 1vk5 h ASP 101 CO 0.59 0.06 0.36 -0.94 -1.72 0.00 0.00 179.24 177.59 1vk5 s SER 102 N -6.01 5.15 0.70 6.45 1.04 -1.26 -5.03 113.70 114.75 1vk5 s SER 102 Ca 0.04 1.76 -0.14 0.00 0.48 0.00 0.00 55.95 58.09 1vk5 s SER 102 Cb 0.07 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.70 1vk5 s SER 102 CO 0.62 -1.60 1.13 -1.61 0.98 0.00 0.00 173.24 172.75 1vk5 s GLU 103 N -4.71 2.50 0.20 4.02 0.41 -1.26 -4.96 118.70 114.90 1vk5 s GLU 103 Ca 0.61 1.44 -0.32 0.00 -0.41 0.00 0.00 54.97 56.29 1vk5 s GLU 103 Cb -0.16 -1.91 -0.15 0.00 -1.78 0.00 0.00 34.13 30.14 1vk5 s GLU 103 CO 0.50 -1.49 1.29 0.39 -0.49 0.00 0.00 175.26 175.46 1vk5 n GLU 104 N -2.73 1.61 -3.81 1.61 -0.58 -1.26 -5.00 120.64 110.47 1vk5 n GLU 104 Ca 0.11 0.57 -0.13 0.00 -0.42 0.00 0.00 57.16 57.29 1vk5 n GLU 104 Cb 0.52 -2.16 -0.13 0.00 -0.57 0.00 0.00 31.44 29.10 1vk5 n GLU 104 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1vk5 s GLN 105 N -0.34 0.14 0.31 3.49 0.74 -1.26 -5.12 119.66 117.61 1vk5 s GLN 105 Ca 0.71 0.22 -0.30 0.00 0.05 0.00 0.00 55.36 56.05 1vk5 s GLN 105 Cb -0.75 0.01 -0.11 0.00 1.10 0.00 0.00 33.01 33.26 1vk5 s GLN 105 CO 0.50 -0.05 1.56 1.03 -0.55 0.00 0.00 175.29 177.78 1vk5 s ARG 106 N 0.33 4.13 0.32 1.67 0.52 -1.26 -4.90 118.95 119.76 1vk5 s ARG 106 Ca -0.02 2.56 0.05 0.00 -0.52 0.00 0.00 55.73 57.80 1vk5 s ARG 106 Cb -0.03 -3.02 0.70 0.00 0.52 0.00 0.00 34.95 33.12 1vk5 s ARG 106 CO -0.01 -0.60 1.86 1.25 0.02 0.00 0.00 175.30 177.82 1vk5 h LEU 107 N 4.46 0.78 0.00 2.53 5.85 -1.76 -0.91 115.31 126.26 1vk5 h LEU 107 Ca -0.48 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1vk5 h LEU 107 Cb 1.22 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1vk5 h LEU 107 CO 0.76 0.41 0.00 -0.90 -0.34 0.00 0.00 178.44 178.37 1vk5 n ASP 108 N -4.57 0.00 0.04 1.25 5.68 -1.04 -1.15 116.55 116.76 1vk5 n ASP 108 Ca 0.17 -0.74 0.12 0.00 -0.50 0.00 0.00 54.79 53.84 1vk5 n ASP 108 Cb 0.40 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.59 1vk5 n ASP 108 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1vk5 n SER 109 N -0.97 0.60 -0.13 -1.12 7.64 -0.35 -4.37 113.62 114.93 1vk5 n SER 109 Ca 0.16 0.02 -0.26 0.00 1.01 0.00 0.00 58.87 59.79 1vk5 n SER 109 Cb 0.07 0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.35 1vk5 n SER 109 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1vk5 n ILE 110 N -1.88 1.38 -4.31 0.44 5.41 -0.30 -4.94 119.36 115.16 1vk5 n ILE 110 Ca 0.04 -0.37 -0.33 0.00 1.00 0.00 0.00 62.75 63.08 1vk5 n ILE 110 Cb 0.40 -1.78 -0.15 0.00 -0.71 0.00 0.00 39.64 37.40 1vk5 n ILE 110 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1vk5 s ILE 111 N -2.46 2.57 0.27 1.39 -1.09 -0.51 -5.09 121.20 116.28 1vk5 s ILE 111 Ca -0.35 -0.79 -0.30 0.00 -2.23 0.00 0.00 60.65 56.99 1vk5 s ILE 111 Cb 0.13 -2.10 -0.10 0.00 -1.58 0.00 0.00 42.46 38.81 1vk5 s ILE 111 CO 0.46 0.51 1.46 -2.28 -1.23 0.00 0.00 174.94 173.86 1vk5 s HIS 112 N 1.07 2.94 0.44 3.97 2.46 -1.26 -4.25 115.29 120.65 1vk5 s HIS 112 Ca -0.01 1.02 0.19 0.00 0.47 0.00 0.00 55.06 56.74 1vk5 s HIS 112 Cb -0.14 -3.87 1.14 0.00 -0.13 0.00 0.00 32.58 29.57 1vk5 s HIS 112 CO -0.04 -2.80 1.87 -1.35 -2.47 0.00 0.00 174.74 169.95 1vk5 h PRO 113 N 4.72 0.33 -0.41 2.88 0.11 -1.85 0.89 132.00 138.68 1vk5 h PRO 113 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1vk5 h PRO 113 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1vk5 h PRO 113 CO 0.76 0.22 0.08 1.15 -0.21 0.00 0.00 178.00 180.00 1vk5 h THR 114 N 0.34 1.24 -0.49 -1.15 2.02 -1.90 -0.11 112.91 112.85 1vk5 h THR 114 Ca 0.44 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 1vk5 h THR 114 Cb 1.18 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1vk5 h THR 114 CO -0.14 0.29 -0.18 0.11 0.37 0.00 0.00 175.52 175.97 1vk5 h LYS 115 N 0.53 1.00 -0.04 6.66 1.57 -1.64 -1.87 116.57 122.78 1vk5 h LYS 115 Ca 0.13 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1vk5 h LYS 115 Cb 0.35 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1vk5 h LYS 115 CO 0.01 1.09 0.02 0.00 -0.57 0.00 0.00 179.45 180.00 1vk5 h ALA 116 N 0.88 0.05 -0.69 3.86 0.00 -0.70 0.49 119.26 123.15 1vk5 h ALA 116 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1vk5 h ALA 116 Cb 0.76 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1vk5 h ALA 116 CO 0.06 -0.42 0.33 1.49 0.00 0.00 0.00 179.25 180.72 1vk5 h GLU 117 N -0.02 0.99 -0.88 0.00 4.81 -1.03 -1.73 114.58 116.73 1vk5 h GLU 117 Ca 0.01 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1vk5 h GLU 117 Cb 0.07 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1vk5 h GLU 117 CO -0.00 0.78 0.57 0.00 -0.73 0.00 0.00 179.01 179.63 1vk5 h ALA 118 N 1.16 1.16 -0.35 2.92 0.00 -1.12 -1.24 119.26 121.79 1vk5 h ALA 118 Ca 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1vk5 h ALA 118 Cb 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1vk5 h ALA 118 CO -0.03 0.42 0.20 1.15 0.00 0.00 0.00 179.25 180.99 1vk5 h THR 119 N 1.11 1.02 -0.64 0.00 2.02 -0.44 -0.80 112.91 115.17 1vk5 h THR 119 Ca 0.35 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1vk5 h THR 119 Cb 0.00 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1vk5 h THR 119 CO -0.12 0.07 0.28 0.40 0.37 0.00 0.00 175.52 176.53 1vk5 h ILE 120 N 0.40 1.23 -0.23 3.11 2.04 -0.72 -0.52 117.51 122.83 1vk5 h ILE 120 Ca 0.14 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 1vk5 h ILE 120 Cb 0.02 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1vk5 h ILE 120 CO -0.08 0.28 -0.21 -0.50 0.00 0.00 0.00 178.15 177.64 1vk5 h TRP 121 N 0.90 0.45 -0.17 1.37 -0.00 -0.95 0.72 115.95 118.27 1vk5 h TRP 121 Ca 0.22 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.89 59.00 1vk5 h TRP 121 Cb 0.17 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.21 1vk5 h TRP 121 CO 0.01 0.60 0.01 -0.07 -0.00 0.00 0.00 178.44 178.98 1vk5 h LEU 122 N 0.37 0.29 -0.77 -4.49 3.38 -0.73 -1.17 115.31 112.19 1vk5 h LEU 122 Ca 0.06 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1vk5 h LEU 122 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1vk5 h LEU 122 CO 0.04 0.52 -0.24 -0.37 0.09 0.00 0.00 178.44 178.49 1vk5 h VAL 123 N 0.06 1.27 -0.88 1.22 -1.51 -0.95 -2.41 116.25 113.04 1vk5 h VAL 123 Ca 0.05 -1.32 0.01 0.00 -1.23 0.00 0.00 66.70 64.20 1vk5 h VAL 123 Cb 0.37 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 30.75 1vk5 h VAL 123 CO 0.01 0.43 0.58 -0.08 -1.23 0.00 0.00 177.57 177.28 1vk5 h GLU 124 N 0.59 1.17 -0.69 5.19 4.57 -0.76 -0.97 114.58 123.68 1vk5 h GLU 124 Ca 0.08 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1vk5 h GLU 124 Cb 0.72 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1vk5 h GLU 124 CO 0.06 0.78 0.26 1.49 -1.18 0.00 0.00 179.01 180.42 1vk5 h GLU 125 N 1.20 1.03 -0.41 1.92 4.81 -0.97 0.12 114.58 122.28 1vk5 h GLU 125 Ca 0.32 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1vk5 h GLU 125 Cb -0.13 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.06 1vk5 h GLU 125 CO -0.07 0.84 0.24 0.82 -0.73 0.00 0.00 179.01 180.11 1vk5 h ILE 126 N 1.00 1.14 0.00 2.32 2.04 -0.92 -1.09 117.51 122.00 1vk5 h ILE 126 Ca 0.23 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1vk5 h ILE 126 Cb 0.21 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1vk5 h ILE 126 CO -0.02 0.14 -0.37 0.45 0.00 0.00 0.00 178.15 178.35 1vk5 h HIS 127 N 0.54 0.00 -0.07 1.37 3.86 -0.50 -1.28 115.15 119.07 1vk5 h HIS 127 Ca 0.15 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.13 1vk5 h HIS 127 Cb 0.02 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.50 1vk5 h HIS 127 CO -0.03 0.37 -0.87 0.00 0.86 0.00 0.00 177.93 178.26 1vk5 h ARG 128 N 0.00 0.61 0.00 2.45 3.08 -0.52 -3.39 114.38 116.60 1vk5 h ARG 128 Ca -0.00 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1vk5 h ARG 128 Cb 0.89 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1vk5 h ARG 128 CO 0.05 1.18 -1.44 1.28 -1.07 0.00 0.00 179.97 179.97 1vk5 n LEU 129 N -3.85 0.50 -0.03 3.04 4.77 -0.44 -3.84 117.00 117.16 1vk5 n LEU 129 Ca -0.08 -0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 55.61 1vk5 n LEU 129 Cb 0.79 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 1vk5 n LEU 129 CO 0.52 0.13 -0.68 0.35 -1.33 0.00 0.00 177.39 176.38 1vk5 n THR 130 N -1.84 0.36 -2.84 -5.08 -2.24 -0.50 -5.06 114.28 97.08 1vk5 n THR 130 Ca 0.00 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 1vk5 n THR 130 Cb 0.43 -0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 67.75 1vk5 n THR 130 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1vk5 s PRO 131 N -2.13 4.32 0.46 -0.78 0.04 -1.26 -5.04 135.00 130.61 1vk5 s PRO 131 Ca -0.04 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.00 1vk5 s PRO 131 Cb 0.02 -2.41 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 1vk5 s PRO 131 CO 0.20 0.09 0.89 -1.54 0.04 0.00 0.00 177.00 176.68 1vk5 s SER 132 N -2.00 6.60 0.40 6.66 1.04 -1.26 -4.97 113.70 120.17 1vk5 s SER 132 Ca 0.57 1.39 0.14 0.00 0.48 0.00 0.00 55.95 58.53 1vk5 s SER 132 Cb -0.12 -2.43 0.82 0.00 0.10 0.00 0.00 66.02 64.39 1vk5 s SER 132 CO 0.17 -0.49 1.87 1.12 0.98 0.00 0.00 173.24 176.90 1vk5 h HIS 133 N 1.15 0.00 -0.63 5.02 2.07 -1.95 -2.05 115.15 118.75 1vk5 h HIS 133 Ca -0.47 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.08 1vk5 h HIS 133 Cb 1.18 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.12 1vk5 h HIS 133 CO 0.62 0.32 0.38 -0.07 -3.07 0.00 0.00 177.93 176.11 1vk5 h LEU 134 N 0.00 0.62 -0.74 6.12 4.07 -1.93 -0.17 115.31 123.28 1vk5 h LEU 134 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1vk5 h LEU 134 Cb 0.57 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 1vk5 h LEU 134 CO 0.04 0.43 0.42 -0.74 -1.08 0.00 0.00 178.44 177.52 1vk5 h HIS 135 N 0.75 1.00 -0.73 1.13 2.76 -1.81 -1.00 115.15 117.24 1vk5 h HIS 135 Ca 0.26 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1vk5 h HIS 135 Cb 0.04 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.64 1vk5 h HIS 135 CO -0.05 0.69 0.44 0.52 -1.30 0.00 0.00 177.93 178.22 1vk5 h MET 136 N 1.01 0.99 -0.72 5.26 2.86 -0.88 -0.33 114.93 123.12 1vk5 h MET 136 Ca 0.26 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1vk5 h MET 136 Cb 0.00 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 1vk5 h MET 136 CO -0.05 0.70 0.28 0.00 1.06 0.00 0.00 176.91 178.90 1vk5 h ALA 137 N 1.23 0.94 -0.52 6.32 0.00 -0.73 -0.35 119.26 126.16 1vk5 h ALA 137 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1vk5 h ALA 137 Cb -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1vk5 h ALA 137 CO -0.05 0.58 0.34 1.25 0.00 0.00 0.00 179.25 181.37 1vk5 h LEU 138 N 1.04 0.58 -0.47 0.00 5.85 -0.76 -0.02 115.31 121.53 1vk5 h LEU 138 Ca 0.24 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1vk5 h LEU 138 Cb 0.23 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1vk5 h LEU 138 CO -0.02 0.42 0.23 -0.07 -0.34 0.00 0.00 178.44 178.66 1vk5 h LEU 139 N 0.69 0.62 -1.20 2.25 3.38 -0.66 -3.01 115.31 117.39 1vk5 h LEU 139 Ca 0.19 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1vk5 h LEU 139 Cb -0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1vk5 h LEU 139 CO -0.05 0.58 -0.15 -0.50 0.09 0.00 0.00 178.44 178.42 1vk5 h TRP 140 N 0.62 0.40 -0.17 1.13 6.55 -0.74 -1.53 115.95 122.21 1vk5 h TRP 140 Ca 0.16 -0.06 0.05 0.00 0.95 0.00 0.00 58.89 59.99 1vk5 h TRP 140 Cb 0.12 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 1vk5 h TRP 140 CO -0.01 0.51 0.14 0.00 -1.05 0.00 0.00 178.44 178.03 1vk5 h ARG 141 N 0.35 0.00 -0.22 0.49 3.08 -0.87 -2.21 114.38 114.99 1vk5 h ARG 141 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1vk5 h ARG 141 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1vk5 h ARG 141 CO 0.03 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.36 1vk5 n SER 142 N -4.17 3.16 -3.87 7.04 7.64 -0.62 -4.79 113.62 118.00 1vk5 n SER 142 Ca 0.01 -1.95 -0.30 0.00 1.01 0.00 0.00 58.87 57.63 1vk5 n SER 142 Cb 0.27 -0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.19 1vk5 n SER 142 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vk5 s ASP 143 N -1.62 4.30 0.66 6.43 2.15 -0.83 -4.98 116.67 122.78 1vk5 s ASP 143 Ca 0.32 -2.22 0.41 0.00 0.43 0.00 0.00 52.55 51.49 1vk5 s ASP 143 Cb 0.20 -1.31 2.24 0.00 -0.30 0.00 0.00 42.92 43.75 1vk5 s ASP 143 CO 0.29 -0.35 2.28 -0.65 -0.17 0.00 0.00 175.17 176.58 1vk5 h PRO 144 N 7.42 0.00 -0.40 4.34 0.11 -1.87 -1.34 132.00 140.27 1vk5 h PRO 144 Ca -0.07 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1vk5 h PRO 144 Cb 0.98 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1vk5 h PRO 144 CO 0.53 0.00 0.03 -1.33 -0.21 0.00 0.00 178.00 177.02 1vk5 n MET 145 N -3.13 3.38 -0.18 1.05 2.81 -1.26 -4.72 117.12 115.08 1vk5 n MET 145 Ca -0.03 -2.98 0.08 0.00 -1.81 0.00 0.00 57.70 52.96 1vk5 n MET 145 Cb 0.13 -1.99 0.37 0.00 -0.71 0.00 0.00 33.22 31.03 1vk5 n MET 145 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 1vk5 h TYR 146 N 2.33 0.73 0.00 2.03 -0.00 -1.56 -0.89 116.97 119.61 1vk5 h TYR 146 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.79 1vk5 h TYR 146 Cb 1.70 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 38.19 1vk5 h TYR 146 CO 0.77 0.37 -0.04 1.12 -0.00 0.00 0.00 178.16 180.38 1vk5 h HIS 147 N 0.71 0.00 0.00 0.10 2.07 -1.85 -1.49 115.15 114.68 1vk5 h HIS 147 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 1vk5 h HIS 147 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1vk5 h HIS 147 CO -0.00 0.04 0.00 -1.13 -3.07 0.00 0.00 177.93 173.77 1vk5 n SER 148 N -3.75 0.00 -0.84 3.10 3.41 -0.34 -2.45 113.62 112.75 1vk5 n SER 148 Ca -0.03 0.45 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 1vk5 n SER 148 Cb 0.14 -0.48 0.21 0.00 -0.26 0.00 0.00 64.21 63.81 1vk5 n SER 148 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1vk5 n PHE 149 N -1.48 0.67 -4.18 7.33 3.72 -0.56 -4.93 117.46 118.03 1vk5 n PHE 149 Ca 0.05 -0.55 -0.34 0.00 -0.05 0.00 0.00 57.45 56.56 1vk5 n PHE 149 Cb 0.22 -0.07 -0.13 0.00 -0.94 0.00 0.00 39.48 38.56 1vk5 n PHE 149 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1vk5 s ILE 150 N -1.25 3.88 0.55 4.37 1.01 -1.02 -3.79 121.20 124.94 1vk5 s ILE 150 Ca 0.31 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 1vk5 s ILE 150 Cb 0.18 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.86 1vk5 s ILE 150 CO 0.18 0.45 1.06 -1.81 0.00 0.00 0.00 174.94 174.82 1vk5 s ASP 151 N 0.81 5.99 1.09 3.58 1.01 -1.26 -5.02 116.67 122.87 1vk5 s ASP 151 Ca -0.00 1.90 -0.13 0.00 0.71 0.00 0.00 52.55 55.03 1vk5 s ASP 151 Cb -0.14 -2.55 0.24 0.00 1.01 0.00 0.00 42.92 41.48 1vk5 s ASP 151 CO 0.02 -1.03 1.07 -2.16 0.21 0.00 0.00 175.17 173.28 1vk5 s PRO 152 N -3.65 -0.34 0.28 8.23 0.04 -1.26 -4.98 135.00 133.32 1vk5 s PRO 152 Ca 0.66 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1vk5 s PRO 152 Cb -0.17 -1.65 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 1vk5 s PRO 152 CO 0.29 -3.25 1.32 0.42 0.04 0.00 0.00 177.00 175.82 1vk5 s ILE 153 N -2.79 2.88 0.06 0.56 -1.09 -1.26 -4.86 121.20 114.69 1vk5 s ILE 153 Ca 0.67 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.90 1vk5 s ILE 153 Cb -0.20 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1vk5 s ILE 153 CO 0.60 0.16 0.18 -0.36 -1.23 0.00 0.00 174.94 174.29 1vk5 s PHE 154 N -0.58 3.45 0.72 3.97 0.08 -1.26 -5.10 117.98 119.26 1vk5 s PHE 154 Ca 0.53 0.22 -0.16 0.00 0.12 0.00 0.00 56.93 57.64 1vk5 s PHE 154 Cb -0.39 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1vk5 s PHE 154 CO 0.46 0.58 1.25 -2.14 -0.10 0.00 0.00 175.22 175.27 1vk5 s PRO 155 N -2.45 2.16 0.00 0.24 0.02 -1.26 -5.09 135.00 128.61 1vk5 s PRO 155 Ca 0.33 1.90 0.12 0.00 0.02 0.00 0.00 61.00 63.38 1vk5 s PRO 155 Cb -0.13 -1.82 0.71 0.00 0.02 0.00 0.00 34.50 33.28 1vk5 s PRO 155 CO 0.26 -1.86 1.14 -1.91 -0.33 0.00 0.00 177.00 174.30