#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vap h LEU 2 N 0.00 0.47 -0.68 -4.53 -0.00 -1.79 -0.58 115.31 108.20 1vap h LEU 2 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1vap h LEU 2 Cb 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.51 1vap h LEU 2 CO 0.00 0.33 0.44 -0.26 -0.00 0.00 0.00 178.44 178.95 1vap h PHE 3 N 0.55 0.84 -0.06 1.13 -1.00 -1.99 -1.02 116.94 115.39 1vap h PHE 3 Ca 0.19 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 1vap h PHE 3 Cb 0.07 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.35 1vap h PHE 3 CO -0.00 0.51 0.01 1.96 -1.61 0.00 0.00 178.31 179.19 1vap h GLN 4 N 0.90 0.09 -0.38 1.51 4.20 -1.81 -2.70 115.11 116.91 1vap h GLN 4 Ca 0.26 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.02 1vap h GLN 4 Cb -0.07 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.63 1vap h GLN 4 CO -0.07 0.30 -0.03 0.35 -0.67 0.00 0.00 178.83 178.71 1vap h PHE 5 N -0.13 -0.08 -0.94 2.96 3.57 -0.86 -1.68 116.94 119.78 1vap h PHE 5 Ca 0.02 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1vap h PHE 5 Cb 0.25 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1vap h PHE 5 CO 0.01 -0.10 0.61 1.49 -2.23 0.00 0.00 178.31 178.08 1vap h GLU 6 N 0.07 1.04 -0.38 1.11 4.57 -1.08 -0.95 114.58 118.96 1vap h GLU 6 Ca 0.19 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1vap h GLU 6 Cb 0.27 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1vap h GLU 6 CO -0.34 0.69 0.17 0.87 -1.18 0.00 0.00 179.01 179.22 1vap h LYS 7 N 1.07 0.56 -0.57 1.92 1.79 -1.02 -1.36 116.57 118.96 1vap h LYS 7 Ca 0.41 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.68 1vap h LYS 7 Cb 0.20 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1vap h LYS 7 CO -0.16 0.51 -0.04 -0.07 -1.08 0.00 0.00 179.45 178.62 1vap h LEU 8 N 0.48 1.01 0.08 2.94 3.38 -0.67 -1.52 115.31 121.02 1vap h LEU 8 Ca 0.13 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1vap h LEU 8 Cb 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1vap h LEU 8 CO -0.01 1.08 -0.04 0.40 0.09 0.00 0.00 178.44 179.96 1vap h ILE 9 N 0.93 1.09 -0.56 1.22 2.04 -0.88 -1.81 117.51 119.54 1vap h ILE 9 Ca 0.16 -0.62 0.11 0.00 1.00 0.00 0.00 64.86 65.51 1vap h ILE 9 Cb 0.59 1.49 -0.11 0.00 -0.74 0.00 0.00 36.82 38.05 1vap h ILE 9 CO 0.04 0.15 -0.17 0.50 0.00 0.00 0.00 178.15 178.67 1vap h LYS 10 N -0.39 -0.03 -0.40 2.37 3.64 -1.09 0.14 116.57 120.81 1vap h LYS 10 Ca -0.01 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1vap h LYS 10 Cb 0.34 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1vap h LYS 10 CO 0.02 -0.02 -0.08 -0.22 -2.27 0.00 0.00 179.45 176.88 1vap h LYS 11 N -0.03 0.02 0.01 1.90 3.64 -1.04 0.18 116.57 121.25 1vap h LYS 11 Ca 0.27 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.41 1vap h LYS 11 Cb 0.44 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1vap h LYS 11 CO -0.59 0.01 -1.22 0.52 -2.27 0.00 0.00 179.45 175.91 1vap h MET 12 N 0.02 0.03 0.00 1.90 2.86 -1.00 -3.40 114.93 115.34 1vap h MET 12 Ca 0.19 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.54 1vap h MET 12 Cb 0.29 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1vap h MET 12 CO -0.39 0.90 -1.92 0.25 1.06 0.00 0.00 176.91 176.80 1vap n THR 13 N -3.29 0.93 -0.24 2.22 -2.24 0.48 -4.70 114.28 107.43 1vap n THR 13 Ca -0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1vap n THR 13 Cb 0.98 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1vap n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vap n GLY 14 N 2.48 1.02 3.69 3.38 0.00 0.61 -5.03 105.19 111.34 1vap n GLY 14 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1vap n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vap s LYS 15 N -0.55 2.52 -0.04 1.61 1.02 -1.26 -4.98 119.74 118.06 1vap s LYS 15 Ca 0.00 -1.04 -0.27 0.00 0.02 0.00 0.00 55.97 54.68 1vap s LYS 15 Cb 0.00 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 1vap s LYS 15 CO 0.00 0.47 0.86 0.45 -0.92 0.00 0.00 175.35 176.20 1vap s SER 16 N -2.94 7.18 0.16 2.83 0.15 -1.26 -2.81 113.70 117.01 1vap s SER 16 Ca 0.28 1.43 -0.14 0.00 0.70 0.00 0.00 55.95 58.22 1vap s SER 16 Cb -0.10 -2.50 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1vap s SER 16 CO 0.20 -0.21 1.75 1.23 1.20 0.00 0.00 173.24 177.40 1vap h GLY 17 N 6.91 0.80 1.21 9.45 0.00 -1.92 0.26 103.07 119.77 1vap h GLY 17 Ca -0.40 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.55 1vap h GLY 17 CO 0.76 0.37 0.52 1.98 0.00 0.00 0.00 176.54 180.17 1vap h MET 18 N 0.69 1.06 0.00 4.80 1.85 -1.92 0.35 114.93 121.76 1vap h MET 18 Ca 0.18 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1vap h MET 18 Cb 0.10 -0.24 -0.00 0.00 0.43 0.00 0.00 31.60 31.89 1vap h MET 18 CO -0.02 0.71 -0.00 -0.07 -0.40 0.00 0.00 176.91 177.12 1vap h LEU 19 N 1.09 0.00 0.04 3.39 3.38 -1.87 -3.37 115.31 117.97 1vap h LEU 19 Ca 0.29 -0.75 -0.28 0.00 0.09 0.00 0.00 57.88 57.22 1vap h LEU 19 Cb -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1vap h LEU 19 CO -0.06 0.88 -1.54 -0.50 0.09 0.00 0.00 178.44 177.31 1vap h TRP 20 N -1.00 0.17 0.00 1.13 4.06 -0.98 -3.41 115.95 115.92 1vap h TRP 20 Ca -0.00 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.83 1vap h TRP 20 Cb 0.76 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 1vap h TRP 20 CO 0.21 1.17 -0.00 0.66 -3.56 0.00 0.00 178.44 176.93 1vap n TYR 21 N -3.26 0.00 1.20 0.49 4.01 0.08 -4.74 117.16 114.94 1vap n TYR 21 Ca -0.14 -0.50 0.13 0.00 -0.16 0.00 0.00 57.90 57.22 1vap n TYR 21 Cb 1.03 -0.05 0.29 0.00 -0.31 0.00 0.00 39.34 40.30 1vap n TYR 21 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1vap n SER 22 N -0.51 1.31 -2.76 7.72 3.41 -0.98 -3.63 113.62 118.17 1vap n SER 22 Ca 0.00 -1.08 -0.09 0.00 -0.26 0.00 0.00 58.87 57.44 1vap n SER 22 Cb 0.27 0.21 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 1vap n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vap n ALA 23 N -0.44 -0.02 -3.61 7.33 0.00 -1.19 -3.81 120.51 118.77 1vap n ALA 23 Ca 0.12 -1.64 -0.29 0.00 0.00 0.00 0.00 53.44 51.64 1vap n ALA 23 Cb 0.38 -1.10 -0.17 0.00 0.00 0.00 0.00 19.45 18.56 1vap n ALA 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1vap s TYR 24 N -0.06 2.05 0.00 0.00 6.14 -0.97 -0.25 117.35 124.25 1vap s TYR 24 Ca 0.24 -0.95 0.00 0.00 0.64 0.00 0.00 57.07 57.00 1vap s TYR 24 Cb 0.32 -1.46 0.00 0.00 0.42 0.00 0.00 41.96 41.25 1vap s TYR 24 CO -0.06 -0.47 0.00 0.41 0.64 0.00 0.00 175.55 176.07 1vap n GLY 25 N 4.11 0.76 0.12 8.97 0.00 -0.63 -1.99 105.19 116.52 1vap n GLY 25 Ca -0.19 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.17 1vap n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vap n TYR 27 N -2.74 0.00 -2.15 0.00 4.02 -1.25 -3.25 117.16 111.78 1vap n TYR 27 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1vap n TYR 27 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.88 1vap n TYR 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vap n GLY 29 N 4.19 -0.74 3.70 0.00 0.00 -1.24 -2.29 105.19 108.81 1vap n GLY 29 Ca 0.17 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1vap n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1vap s TRP 30 N 0.00 2.93 0.00 1.61 -0.00 -1.26 -4.80 118.94 117.43 1vap s TRP 30 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 56.10 56.91 1vap s TRP 30 Cb 0.00 -3.70 0.00 0.00 -0.00 0.00 0.00 33.47 29.77 1vap s TRP 30 CO 0.00 -2.56 0.00 0.41 -0.00 0.00 0.00 176.95 174.80 1vap n GLY 31 N 3.63 -2.42 0.00 5.86 0.00 -1.26 -5.03 105.19 105.96 1vap n GLY 31 Ca 0.13 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1vap n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vap n GLY 32 N -0.60 3.41 3.78 -0.02 0.00 -1.25 -4.69 105.19 105.82 1vap n GLY 32 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1vap n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1vap s GLN 33 N -1.54 1.98 3.19 1.61 -2.07 -1.20 -5.01 119.66 116.62 1vap s GLN 33 Ca 0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 55.36 52.26 1vap s GLN 33 Cb 0.00 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.51 1vap s GLN 33 CO 0.00 -0.90 0.00 0.41 -1.32 0.00 0.00 175.29 173.48 1vap n GLY 34 N -0.49 0.22 3.68 2.60 0.00 -1.22 -4.74 105.19 105.24 1vap n GLY 34 Ca -0.05 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1vap n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vap s ARG 35 N 0.00 2.71 0.52 1.61 0.52 -1.25 -4.07 118.95 118.98 1vap s ARG 35 Ca 0.00 -0.69 -0.23 0.00 -0.52 0.00 0.00 55.73 54.30 1vap s ARG 35 Cb 0.00 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 1vap s ARG 35 CO 0.00 0.60 1.38 -2.14 0.02 0.00 0.00 175.30 175.16 1vap s PRO 36 N -1.80 3.31 0.09 3.54 0.02 -1.26 -4.77 135.00 134.13 1vap s PRO 36 Ca 0.22 2.30 0.14 0.00 0.02 0.00 0.00 61.00 63.68 1vap s PRO 36 Cb -0.12 -2.38 -0.12 0.00 0.02 0.00 0.00 34.50 31.90 1vap s PRO 36 CO 0.13 -1.08 0.97 0.87 -0.33 0.00 0.00 177.00 177.56 1vap h LYS 37 N 1.73 0.00 0.00 5.54 1.79 -1.97 -3.47 116.57 120.19 1vap h LYS 37 Ca -0.51 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.83 1vap h LYS 37 Cb 1.29 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 1vap h LYS 37 CO 0.58 0.45 0.08 -0.40 -1.08 0.00 0.00 179.45 179.08 1vap n ASP 38 N -3.04 -1.69 -0.12 0.86 5.75 -1.26 -5.04 116.55 112.01 1vap n ASP 38 Ca -0.07 -2.56 -0.07 0.00 -0.01 0.00 0.00 54.79 52.08 1vap n ASP 38 Cb 0.87 2.92 0.01 0.00 -1.03 0.00 0.00 41.12 43.89 1vap n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vap h ALA 39 N 1.99 0.50 0.37 2.12 0.00 -1.94 -1.10 119.26 121.20 1vap h ALA 39 Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1vap h ALA 39 Cb 1.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1vap h ALA 39 CO 0.36 -0.10 -0.30 1.15 0.00 0.00 0.00 179.25 180.35 1vap h THR 40 N 0.47 0.37 -0.76 0.00 2.02 -1.91 -1.21 112.91 111.89 1vap h THR 40 Ca 0.16 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.49 1vap h THR 40 Cb 0.01 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1vap h THR 40 CO -0.08 0.00 0.51 -0.78 0.37 0.00 0.00 175.52 175.54 1vap h ASP 41 N -0.68 0.39 -0.11 4.18 3.58 -1.83 -1.49 116.42 120.46 1vap h ASP 41 Ca -0.03 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 1vap h ASP 41 Cb 0.60 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1vap h ASP 41 CO -0.02 0.20 -0.38 -0.09 -2.88 0.00 0.00 179.24 176.07 1vap h ARG 42 N 0.42 0.63 -0.97 0.28 2.43 -0.05 -1.71 114.38 115.41 1vap h ARG 42 Ca 0.37 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1vap h ARG 42 Cb 0.86 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 1vap h ARG 42 CO -0.12 0.91 0.63 0.00 -1.51 0.00 0.00 179.97 179.87 1vap h PHE 45 N 0.23 0.36 -0.49 0.00 3.57 -0.86 -1.51 116.94 118.25 1vap h PHE 45 Ca -0.00 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 1vap h PHE 45 Cb 1.02 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1vap h PHE 45 CO 0.10 0.16 -0.08 0.28 -2.23 0.00 0.00 178.31 176.54 1vap h VAL 46 N 0.40 1.26 -0.27 1.41 2.07 -0.84 -0.91 116.25 119.37 1vap h VAL 46 Ca 0.21 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1vap h VAL 46 Cb 0.16 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1vap h VAL 46 CO -0.18 0.41 0.10 -0.74 0.02 0.00 0.00 177.57 177.17 1vap h HIS 47 N 0.80 0.17 -0.62 1.57 -0.00 -1.05 0.20 115.15 116.21 1vap h HIS 47 Ca 0.14 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.45 1vap h HIS 47 Cb 0.59 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.93 1vap h HIS 47 CO 0.03 0.08 0.14 -0.44 -0.00 0.00 0.00 177.93 177.74 1vap h ASP 48 N 0.22 0.96 -0.81 3.26 3.32 -0.48 -0.14 116.42 122.75 1vap h ASP 48 Ca 0.12 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1vap h ASP 48 Cb 0.08 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1vap h ASP 48 CO -0.11 0.95 0.50 0.00 -1.72 0.00 0.00 179.24 178.86 1vap h TYR 51 N 0.40 0.99 -0.27 0.00 -1.99 -0.91 -2.83 116.97 112.36 1vap h TYR 51 Ca 0.11 -0.14 0.08 0.00 2.00 0.00 0.00 58.73 60.78 1vap h TYR 51 Cb 0.23 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1vap h TYR 51 CO 0.00 0.87 0.29 0.78 -0.00 0.00 0.00 178.16 180.10 1vap h GLY 52 N 0.82 0.00 0.86 3.88 0.00 -0.64 -1.51 103.07 106.48 1vap h GLY 52 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1vap h GLY 52 CO 0.01 0.00 -0.41 0.28 0.00 0.00 0.00 176.54 176.42 1vap n LYS 53 N -3.81 0.22 -2.65 4.80 5.02 -1.05 -4.91 118.16 115.79 1vap n LYS 53 Ca 0.04 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 1vap n LYS 53 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1vap n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vap s VAL 54 N -2.87 4.69 -0.06 -0.18 1.01 -0.57 -5.02 120.40 117.40 1vap s VAL 54 Ca 0.15 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.12 1vap s VAL 54 Cb 0.18 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1vap s VAL 54 CO 0.64 0.01 -0.14 -0.89 0.00 0.00 0.00 175.10 174.73 1vap s THR 55 N 1.98 1.25 0.00 3.92 2.01 -1.26 -4.81 115.64 118.73 1vap s THR 55 Ca 0.50 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1vap s THR 55 Cb -0.20 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1vap s THR 55 CO 0.19 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 1vap n GLY 56 N 3.57 0.88 3.83 4.40 0.00 -1.26 -4.92 105.19 111.69 1vap n GLY 56 Ca -0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1vap n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vap s ASN 58 N -2.99 5.02 0.45 0.00 3.84 -1.26 -5.00 114.94 115.01 1vap s ASN 58 Ca 0.13 -1.33 0.31 0.00 0.21 0.00 0.00 52.86 52.17 1vap s ASN 58 Cb -0.05 -1.76 1.32 0.00 -0.55 0.00 0.00 41.25 40.22 1vap s ASN 58 CO 0.07 -0.31 1.91 1.55 -2.79 0.00 0.00 177.10 177.53 1vap h PRO 59 N 8.05 0.00 0.10 0.43 0.13 -1.91 -0.13 132.00 138.66 1vap h PRO 59 Ca -0.21 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.60 1vap h PRO 59 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1vap h PRO 59 CO 0.57 0.00 -1.71 0.87 -0.23 0.00 0.00 178.00 177.50 1vap h LYS 60 N 0.00 0.21 0.01 0.86 1.57 -1.96 -3.40 116.57 113.85 1vap h LYS 60 Ca 0.00 -0.35 -0.38 0.00 -1.87 0.00 0.00 60.65 58.05 1vap h LYS 60 Cb 0.39 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 1vap h LYS 60 CO 0.00 1.02 -2.38 -1.33 -0.57 0.00 0.00 179.45 176.19 1vap n MET 61 N -3.38 0.67 -2.22 3.15 2.81 -1.16 -2.50 117.12 114.48 1vap n MET 61 Ca -0.21 0.11 -0.34 0.00 -1.81 0.00 0.00 57.70 55.45 1vap n MET 61 Cb 1.05 -1.55 -0.00 0.00 -0.71 0.00 0.00 33.22 32.01 1vap n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1vap s ASP 62 N -6.19 5.83 -0.28 7.83 1.01 -0.07 -4.63 116.67 120.18 1vap s ASP 62 Ca -0.24 2.00 -0.11 0.00 0.71 0.00 0.00 52.55 54.90 1vap s ASP 62 Cb 0.08 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 1vap s ASP 62 CO 0.70 -1.14 0.21 -0.63 0.21 0.00 0.00 175.17 174.52 1vap s ILE 63 N -2.07 5.30 0.39 0.77 1.01 -1.26 -0.46 121.20 124.89 1vap s ILE 63 Ca 0.68 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.62 1vap s ILE 63 Cb -0.19 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1vap s ILE 63 CO 0.29 0.25 0.51 -0.72 0.00 0.00 0.00 174.94 175.27 1vap s TYR 64 N 1.73 2.89 -0.19 3.97 -0.85 -1.26 -4.95 117.35 118.70 1vap s TYR 64 Ca 0.08 -0.35 -0.08 0.00 -0.52 0.00 0.00 57.07 56.20 1vap s TYR 64 Cb -0.16 -2.22 -0.04 0.00 0.38 0.00 0.00 41.96 39.92 1vap s TYR 64 CO 0.10 -0.25 0.08 0.99 -1.52 0.00 0.00 175.55 174.96 1vap s THR 65 N -2.31 4.94 0.01 -3.49 2.01 -1.26 -4.98 115.64 110.55 1vap s THR 65 Ca 0.51 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 62.36 1vap s THR 65 Cb -0.09 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1vap s THR 65 CO 0.32 0.44 0.38 -0.72 -0.69 0.00 0.00 174.62 174.35 1vap s TYR 66 N 0.47 -0.25 0.06 4.92 -0.85 -1.26 -1.94 117.35 118.51 1vap s TYR 66 Ca 0.04 0.29 0.03 0.00 -0.52 0.00 0.00 57.07 56.91 1vap s TYR 66 Cb -0.12 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 1vap s TYR 66 CO 0.00 -0.50 -0.10 -1.54 -1.52 0.00 0.00 175.55 171.90 1vap s SER 67 N -1.68 1.21 -0.27 -0.18 1.04 -0.33 -4.93 113.70 108.56 1vap s SER 67 Ca -0.09 -0.65 -0.09 0.00 0.48 0.00 0.00 55.95 55.59 1vap s SER 67 Cb -0.02 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 1vap s SER 67 CO 0.01 -0.20 0.14 -0.69 0.98 0.00 0.00 173.24 173.48 1vap s VAL 68 N -1.73 4.88 -0.31 5.02 1.01 -1.26 -0.16 120.40 127.84 1vap s VAL 68 Ca -0.03 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1vap s VAL 68 Cb -0.07 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 33.08 1vap s VAL 68 CO 0.00 0.27 0.02 -1.81 0.00 0.00 0.00 175.10 173.59 1vap s ASP 69 N 1.69 4.54 -1.39 3.32 1.01 0.73 -4.83 116.67 121.74 1vap s ASP 69 Ca 0.07 -1.88 -0.04 0.00 0.71 0.00 0.00 52.55 51.40 1vap s ASP 69 Cb -0.16 -1.47 0.03 0.00 1.01 0.00 0.00 42.92 42.33 1vap s ASP 69 CO 0.08 -0.34 0.73 0.59 0.21 0.00 0.00 175.17 176.44 1vap n ASN 70 N 4.40 -2.03 0.00 0.27 5.03 -1.26 -1.51 115.26 120.16 1vap n ASN 70 Ca -0.01 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.60 1vap n ASN 70 Cb 0.42 -3.83 0.00 0.00 -1.02 0.00 0.00 39.78 35.35 1vap n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1vap n GLY 71 N -1.66 2.71 3.87 7.41 0.00 -1.26 -5.04 105.19 111.21 1vap n GLY 71 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1vap n GLY 71 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vap s ASN 72 N -1.56 6.59 -0.28 1.61 0.02 -0.57 -5.06 114.94 115.70 1vap s ASN 72 Ca 0.00 0.70 -0.18 0.00 -1.02 0.00 0.00 52.86 52.37 1vap s ASN 72 Cb 0.00 -2.15 -0.02 0.00 0.02 0.00 0.00 41.25 39.10 1vap s ASN 72 CO 0.00 0.30 0.50 -0.63 0.02 0.00 0.00 177.10 177.29 1vap s ILE 73 N -1.18 5.07 -0.12 0.60 1.01 -1.26 -0.19 121.20 125.14 1vap s ILE 73 Ca 0.24 0.75 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 1vap s ILE 73 Cb -0.14 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1vap s ILE 73 CO 0.12 0.04 -0.08 0.54 0.00 0.00 0.00 174.94 175.57 1vap s VAL 74 N 2.30 3.55 -0.44 2.92 0.11 0.78 -4.96 120.40 124.66 1vap s VAL 74 Ca 0.20 -0.50 -0.18 0.00 -2.93 0.00 0.00 61.98 58.57 1vap s VAL 74 Cb -0.16 -2.50 0.03 0.00 -1.53 0.00 0.00 36.38 32.22 1vap s VAL 74 CO 0.10 0.54 0.52 0.00 -3.33 0.00 0.00 175.10 172.93 1vap n GLY 76 N 5.10 2.98 0.00 0.00 0.00 -0.82 -5.01 105.19 107.44 1vap n GLY 76 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1vap n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vap n GLY 77 N 5.00 -1.23 0.00 -0.02 0.00 -1.26 -4.51 105.19 103.17 1vap n GLY 77 Ca 0.00 -1.57 0.07 0.00 0.00 0.00 0.00 46.02 44.51 1vap n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vap n THR 78 N -1.10 0.00 -2.71 2.61 -2.24 -1.26 -4.96 114.28 104.62 1vap n THR 78 Ca 0.00 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1vap n THR 78 Cb 0.00 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1vap n THR 78 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1vap s ASN 79 N -2.94 7.03 0.25 3.42 3.84 -1.26 -4.93 114.94 120.35 1vap s ASN 79 Ca 0.00 1.27 -0.01 0.00 0.21 0.00 0.00 52.86 54.34 1vap s ASN 79 Cb 0.10 -2.52 0.30 0.00 -0.55 0.00 0.00 41.25 38.58 1vap s ASN 79 CO 0.57 -0.66 1.69 -0.65 -2.79 0.00 0.00 177.10 175.26 1vap h PRO 80 N 7.56 0.64 -0.30 0.43 0.11 -1.96 -2.55 132.00 135.93 1vap h PRO 80 Ca -0.20 -0.24 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1vap h PRO 80 Cb 1.07 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1vap h PRO 80 CO 0.96 0.81 -0.34 0.00 -0.21 0.00 0.00 178.00 179.22 1vap h LYS 82 N 0.52 1.06 -0.49 0.00 1.57 -1.94 -2.65 116.57 114.64 1vap h LYS 82 Ca 0.04 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1vap h LYS 82 Cb 0.92 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1vap h LYS 82 CO 0.08 0.96 -0.02 0.87 -0.57 0.00 0.00 179.45 180.78 1vap h LYS 83 N 1.00 0.84 -0.62 3.15 1.79 -1.30 -2.04 116.57 119.39 1vap h LYS 83 Ca 0.20 -0.24 0.08 0.00 -2.18 0.00 0.00 60.65 58.51 1vap h LYS 83 Cb 0.40 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 1vap h LYS 83 CO 0.01 0.85 0.29 0.37 -1.08 0.00 0.00 179.45 179.89 1vap h GLN 84 N 0.78 0.51 -0.50 3.15 4.15 -1.03 0.33 115.11 122.49 1vap h GLN 84 Ca 0.15 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1vap h GLN 84 Cb 0.49 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1vap h GLN 84 CO 0.02 0.34 0.30 0.82 -1.93 0.00 0.00 178.83 178.38 1vap h ILE 85 N 0.52 1.16 -0.53 2.39 2.04 -1.12 -1.27 117.51 120.71 1vap h ILE 85 Ca 0.30 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1vap h ILE 85 Cb 0.29 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1vap h ILE 85 CO -0.24 0.17 0.24 0.00 0.00 0.00 0.00 178.15 178.31 1vap h GLU 87 N 0.72 1.13 0.46 0.00 5.08 -0.54 -0.14 114.58 121.29 1vap h GLU 87 Ca 0.18 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1vap h GLU 87 Cb 0.14 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1vap h GLU 87 CO -0.02 0.88 -0.22 0.00 -1.00 0.00 0.00 179.01 178.64 1vap h ASP 89 N -0.88 -1.09 -0.99 0.00 5.19 -1.05 -1.45 116.42 116.15 1vap h ASP 89 Ca -0.06 0.10 0.15 0.00 -0.62 0.00 0.00 57.03 56.60 1vap h ASP 89 Cb 0.58 0.38 -0.09 0.00 0.18 0.00 0.00 39.33 40.38 1vap h ASP 89 CO 0.10 -0.45 0.62 -0.09 -3.12 0.00 0.00 179.24 176.30 1vap h ARG 90 N -0.66 0.83 -0.36 3.56 2.43 -1.08 -1.46 114.38 117.65 1vap h ARG 90 Ca -0.03 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1vap h ARG 90 Cb 0.60 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1vap h ARG 90 CO -0.12 0.55 -0.22 0.00 -1.51 0.00 0.00 179.97 178.67 1vap h ALA 91 N 1.59 0.95 -0.07 2.80 0.00 -0.83 -0.17 119.26 123.52 1vap h ALA 91 Ca 0.52 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1vap h ALA 91 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1vap h ALA 91 CO -0.30 0.61 -0.74 0.00 0.00 0.00 0.00 179.25 178.82 1vap h ALA 92 N 1.15 0.59 -0.65 0.00 0.00 -0.95 -1.47 119.26 117.94 1vap h ALA 92 Ca 0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1vap h ALA 92 Cb 0.70 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1vap h ALA 92 CO 0.05 0.77 0.06 0.00 0.00 0.00 0.00 179.25 180.14 1vap h ALA 93 N 0.94 0.87 -0.32 0.00 0.00 -0.69 0.79 119.26 120.85 1vap h ALA 93 Ca -0.03 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1vap h ALA 93 Cb 1.32 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1vap h ALA 93 CO 0.13 0.67 -0.37 0.82 0.00 0.00 0.00 179.25 180.49 1vap h ILE 94 N 1.02 1.29 -0.79 0.00 2.04 -0.96 -2.57 117.51 117.54 1vap h ILE 94 Ca 0.19 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 1vap h ILE 94 Cb 0.50 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1vap h ILE 94 CO 0.02 0.51 0.35 0.00 0.00 0.00 0.00 178.15 179.02 1vap h PHE 96 N 1.13 0.74 -0.60 0.00 0.04 -0.75 -2.84 116.94 114.67 1vap h PHE 96 Ca 0.27 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 1vap h PHE 96 Cb 0.17 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1vap h PHE 96 CO 0.02 0.57 0.06 -0.09 -0.60 0.00 0.00 178.31 178.27 1vap h ARG 97 N 0.69 0.99 0.00 1.51 2.43 -1.03 -2.04 114.38 116.94 1vap h ARG 97 Ca 0.18 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1vap h ARG 97 Cb 0.10 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1vap h ARG 97 CO -0.02 0.93 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.75 1vap h ASP 98 N 0.92 0.00 -0.36 -3.80 3.32 -1.01 -2.92 116.42 112.58 1vap h ASP 98 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1vap h ASP 98 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1vap h ASP 98 CO 0.02 0.18 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 1vap n ASN 99 N -3.88 2.96 0.22 6.45 3.02 -0.95 -4.62 115.26 118.47 1vap n ASN 99 Ca -0.02 -1.99 0.12 0.00 -0.03 0.00 0.00 54.58 52.67 1vap n ASN 99 Cb 0.27 -0.24 0.73 0.00 -0.61 0.00 0.00 39.78 39.93 1vap n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1vap h LEU 100 N 2.16 0.00 -1.38 3.41 3.38 -1.18 -2.53 115.31 119.18 1vap h LEU 100 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1vap h LEU 100 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1vap h LEU 100 CO 0.00 0.00 -0.20 0.11 0.09 0.00 0.00 178.44 178.44 1vap h LYS 101 N 0.00 0.00 -0.26 1.13 1.79 -1.84 -2.53 116.57 114.86 1vap h LYS 101 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1vap h LYS 101 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1vap h LYS 101 CO -0.00 0.20 0.00 0.25 -1.08 0.00 0.00 179.45 178.82 1vap n THR 102 N -3.49 0.59 -1.68 -0.16 -2.24 -0.96 -5.01 114.28 101.33 1vap n THR 102 Ca -0.01 -0.80 -0.43 0.00 -2.27 0.00 0.00 64.05 60.54 1vap n THR 102 Cb 0.37 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 1vap n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vap n TYR 103 N 0.78 2.53 -3.70 4.78 4.19 -0.95 -4.96 117.16 119.83 1vap n TYR 103 Ca 0.12 -0.16 -0.30 0.00 3.31 0.00 0.00 57.90 60.88 1vap n TYR 103 Cb 0.42 -2.73 -0.13 0.00 0.49 0.00 0.00 39.34 37.39 1vap n TYR 103 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1vap s ASP 104 N 3.20 3.63 0.19 2.98 2.15 -1.26 -4.98 116.67 122.58 1vap s ASP 104 Ca 0.85 -2.53 -0.07 0.00 0.43 0.00 0.00 52.55 51.23 1vap s ASP 104 Cb -0.51 -0.98 0.09 0.00 -0.30 0.00 0.00 42.92 41.22 1vap s ASP 104 CO 0.40 -0.28 1.59 0.77 -0.17 0.00 0.00 175.17 177.48 1vap h SER 105 N 6.84 0.91 -0.96 -0.34 4.64 -1.94 0.79 113.55 123.49 1vap h SER 105 Ca -0.01 -0.34 0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1vap h SER 105 Cb 0.94 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 62.69 1vap h SER 105 CO 0.47 1.09 0.61 0.11 -0.87 0.00 0.00 176.83 178.24 1vap h LYS 106 N 0.77 0.71 0.11 4.77 6.56 -1.93 -0.45 116.57 127.11 1vap h LYS 106 Ca 0.10 -0.04 -0.36 0.00 -1.06 0.00 0.00 60.65 59.28 1vap h LYS 106 Cb 0.77 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.25 1vap h LYS 106 CO 0.06 0.47 -2.02 2.41 -2.06 0.00 0.00 179.45 178.32 1vap n THR 107 N -4.64 1.75 0.12 -0.16 -1.04 -1.13 -4.74 114.28 104.44 1vap n THR 107 Ca 0.20 -0.63 0.07 0.00 -2.04 0.00 0.00 64.05 61.65 1vap n THR 107 Cb 0.52 -1.72 -0.11 0.00 -1.82 0.00 0.00 70.33 67.21 1vap n THR 107 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1vap n TYR 108 N -3.50 0.00 -2.07 -1.42 4.01 0.26 -4.73 117.16 109.71 1vap n TYR 108 Ca -0.33 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 56.99 1vap n TYR 108 Cb 1.03 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.76 1vap n TYR 108 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1vap s TRP 109 N -2.89 3.10 -1.57 -0.72 -0.00 -0.21 -1.60 118.94 115.05 1vap s TRP 109 Ca -0.03 1.03 -0.02 0.00 -0.00 0.00 0.00 56.10 57.08 1vap s TRP 109 Cb 0.10 -3.76 0.01 0.00 -0.00 0.00 0.00 33.47 29.81 1vap s TRP 109 CO 0.61 -2.52 0.17 1.63 -0.00 0.00 0.00 176.95 176.83 1vap n LYS 110 N 2.71 -2.62 -1.73 5.86 5.02 0.66 -4.93 118.16 123.12 1vap n LYS 110 Ca 0.08 0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 56.82 1vap n LYS 110 Cb 0.41 -5.58 -0.01 0.00 -0.02 0.00 0.00 35.03 29.82 1vap n LYS 110 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1vap n TYR 111 N -4.00 2.67 -2.33 2.13 9.36 -0.90 -4.89 117.16 119.19 1vap n TYR 111 Ca -0.19 0.36 -0.43 0.00 3.32 0.00 0.00 57.90 60.96 1vap n TYR 111 Cb 0.65 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.80 1vap n TYR 111 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1vap s PRO 112 N -0.90 3.58 0.00 2.98 0.04 -1.26 -4.81 135.00 134.62 1vap s PRO 112 Ca 0.62 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1vap s PRO 112 Cb -0.53 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 29.98 1vap s PRO 112 CO 0.53 -1.56 0.61 1.63 0.04 0.00 0.00 177.00 178.25 1vap n LYS 113 N 8.06 0.00 0.12 4.56 4.76 -1.26 -0.27 118.16 134.12 1vap n LYS 113 Ca 0.17 0.16 -0.01 0.00 -2.87 0.00 0.00 58.31 55.76 1vap n LYS 113 Cb 0.48 -1.54 0.05 0.00 -1.84 0.00 0.00 35.03 32.18 1vap n LYS 113 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1vap h LYS 114 N 0.00 0.00 -0.02 1.97 2.10 -1.98 -2.81 116.57 115.82 1vap h LYS 114 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1vap h LYS 114 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1vap h LYS 114 CO 0.00 0.67 0.00 0.09 -2.00 0.00 0.00 179.45 178.21 1vap n ASN 115 N -3.40 0.11 -3.32 7.07 5.03 0.62 -4.06 115.26 117.31 1vap n ASN 115 Ca 0.00 -1.74 -0.33 0.00 0.87 0.00 0.00 54.58 53.39 1vap n ASN 115 Cb 0.75 -0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 39.47 1vap n ASN 115 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vap n LYS 117 N 0.12 1.28 -3.63 0.00 5.02 -1.26 -3.42 118.16 116.27 1vap n LYS 117 Ca 0.35 -3.65 -0.01 0.00 -2.02 0.00 0.00 58.31 52.98 1vap n LYS 117 Cb 0.35 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1vap n LYS 117 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1vap s GLU 118 N -1.73 0.57 0.00 1.97 2.56 -1.26 -5.07 118.70 115.74 1vap s GLU 118 Ca 0.37 1.40 0.00 0.00 0.00 0.00 0.00 54.97 56.74 1vap s GLU 118 Cb 0.19 0.81 0.00 0.00 2.00 0.00 0.00 34.13 37.13 1vap s GLU 118 CO -0.08 -0.19 0.00 -1.91 -0.56 0.00 0.00 175.26 172.51 1vap n GLU 119 N 5.36 0.00 -2.17 4.30 2.13 -1.26 -3.88 120.64 125.12 1vap n GLU 119 Ca -0.12 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.36 1vap n GLU 119 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1vap n GLU 119 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1vap s SER 120 N 0.00 5.85 0.03 4.31 0.15 -1.26 -4.44 113.70 118.33 1vap s SER 120 Ca 0.00 1.91 -0.18 0.00 0.70 0.00 0.00 55.95 58.38 1vap s SER 120 Cb 0.00 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 1vap s SER 120 CO 0.00 -1.12 0.52 -0.70 1.20 0.00 0.00 173.24 173.13 1vap s GLU 121 N -3.76 4.13 0.46 5.44 2.12 -1.26 -5.01 118.70 120.83 1vap s GLU 121 Ca 0.66 0.62 -0.21 0.00 0.36 0.00 0.00 54.97 56.40 1vap s GLU 121 Cb -0.18 -3.26 -0.09 0.00 0.26 0.00 0.00 34.13 30.87 1vap s GLU 121 CO 0.32 0.60 1.02 -1.25 -0.54 0.00 0.00 175.26 175.40 1vap s PRO 122 N -0.90 3.94 0.00 4.30 0.04 -1.26 -5.07 135.00 136.05 1vap s PRO 122 Ca 0.27 1.32 0.14 0.00 0.04 0.00 0.00 61.00 62.78 1vap s PRO 122 Cb -0.18 -2.17 0.84 0.00 0.04 0.00 0.00 34.50 33.03 1vap s PRO 122 CO 0.17 -0.30 1.26 0.00 0.04 0.00 0.00 177.00 178.16