#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q n VAL 3 N 0.00 0.94 0.19 0.00 0.31 -1.26 -4.37 118.33 114.13 1m4q n VAL 3 Ca 0.00 -0.68 0.08 0.00 -0.01 0.00 0.00 64.34 63.74 1m4q n VAL 3 Cb 0.00 -0.40 0.17 0.00 -0.91 0.00 0.00 33.84 32.70 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1m4q h SER 4 N 0.00 0.00 -0.75 4.52 0.87 -2.00 -3.29 113.55 112.90 1m4q h SER 4 Ca -0.37 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.32 1m4q h SER 4 Cb 1.81 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.69 1m4q h SER 4 CO 0.02 0.22 0.34 -0.08 -0.53 0.00 0.00 176.83 176.79 1m4q h GLU 5 N 0.00 0.50 -0.68 2.24 4.81 -1.99 0.23 114.58 119.69 1m4q h GLU 5 Ca -0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1m4q h GLU 5 Cb 1.10 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1m4q h GLU 5 CO 0.03 0.33 0.45 0.77 -0.73 0.00 0.00 179.01 179.86 1m4q h SER 6 N 0.52 0.78 0.61 1.04 0.02 -1.83 -1.87 113.55 112.83 1m4q h SER 6 Ca 0.40 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.23 1m4q h SER 6 Cb 0.55 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1m4q h SER 6 CO -0.35 0.56 -0.46 -0.61 -1.14 0.00 0.00 176.83 174.83 1m4q h GLN 7 N 0.92 0.00 0.55 3.45 4.15 -1.31 -3.12 115.11 119.76 1m4q h GLN 7 Ca 0.25 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1m4q h GLN 7 Cb -0.10 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1m4q h GLN 7 CO -0.06 0.46 -0.33 1.25 -1.93 0.00 0.00 178.83 178.22 1m4q h LEU 8 N 0.00 -0.83 -0.64 -2.39 5.85 0.23 0.80 115.31 118.32 1m4q h LEU 8 Ca -0.00 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1m4q h LEU 8 Cb 0.90 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1m4q h LEU 8 CO 0.06 -0.53 0.30 0.11 -0.34 0.00 0.00 178.44 178.05 1m4q h LYS 9 N -0.84 0.52 0.00 1.25 1.57 -1.52 0.14 116.57 117.69 1m4q h LYS 9 Ca -0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1m4q h LYS 9 Cb 0.68 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1m4q h LYS 9 CO 0.07 0.34 0.00 0.87 -0.57 0.00 0.00 179.45 180.17 1m4q h LYS 10 N 0.53 0.00 0.00 3.15 1.79 -1.44 -2.89 116.57 117.72 1m4q h LYS 10 Ca 0.31 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.75 1m4q h LYS 10 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1m4q h LYS 10 CO -0.26 0.00 -0.17 1.98 -1.08 0.00 0.00 179.45 179.93 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 0.35 -3.39 114.93 119.09 1m4q h MET 11 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1m4q h MET 11 Cb 0.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1m4q h MET 11 CO 0.00 0.17 0.00 1.33 0.23 0.00 0.00 176.91 178.64 1m4q n VAL 12 N -4.20 0.00 -1.00 -5.77 0.24 -1.10 -4.91 118.33 101.58 1m4q n VAL 12 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1m4q n VAL 12 Cb 0.24 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 1m4q n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4q n SER 13 N -0.34 -5.24 -0.19 -1.34 7.64 -1.14 -4.60 113.62 108.41 1m4q n SER 13 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1m4q n SER 13 Cb 0.00 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.45 1m4q n SER 13 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1m4q n LYS 14 N -0.00 0.00 -1.57 1.43 4.81 -1.26 -5.13 118.16 116.43 1m4q n LYS 14 Ca 0.00 -0.11 -0.32 0.00 -0.87 0.00 0.00 58.31 57.02 1m4q n LYS 14 Cb 0.37 -0.08 0.06 0.00 0.02 0.00 0.00 35.03 35.41 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1m4q s TYR 15 N 0.00 2.80 0.32 5.64 1.51 -1.26 -4.94 117.35 121.42 1m4q s TYR 15 Ca 0.00 1.51 0.01 0.00 -1.01 0.00 0.00 57.07 57.58 1m4q s TYR 15 Cb 0.00 -3.02 0.52 0.00 -0.11 0.00 0.00 41.96 39.35 1m4q s TYR 15 CO 0.00 -1.51 1.91 -0.22 -1.11 0.00 0.00 175.55 174.62 1m4q h LYS 16 N -0.53 0.79 -1.98 -0.62 1.63 -1.94 -3.32 116.57 110.60 1m4q h LYS 16 Ca -0.45 -0.11 -0.55 0.00 -0.85 0.00 0.00 60.65 58.69 1m4q h LYS 16 Cb 1.23 -0.15 -0.38 0.00 -0.60 0.00 0.00 32.23 32.33 1m4q h LYS 16 CO 0.54 0.64 -1.08 0.66 -3.45 0.00 0.00 179.45 176.76 1m4q n TYR 17 N -4.34 -0.50 -0.24 1.91 4.01 -1.26 -4.98 117.16 111.74 1m4q n TYR 17 Ca 0.05 -3.49 0.05 0.00 -0.16 0.00 0.00 57.90 54.35 1m4q n TYR 17 Cb 0.15 -0.24 0.16 0.00 -0.31 0.00 0.00 39.34 39.10 1m4q n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1m4q h ARG 18 N 4.15 0.17 0.64 -0.72 3.08 -1.96 0.52 114.38 120.26 1m4q h ARG 18 Ca 0.08 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1m4q h ARG 18 Cb 0.89 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1m4q h ARG 18 CO 0.45 0.11 -0.41 -0.44 -1.07 0.00 0.00 179.97 178.61 1m4q h ASP 19 N 0.17 -1.04 0.41 7.04 3.32 -1.94 0.79 116.42 125.18 1m4q h ASP 19 Ca 0.40 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 1m4q h ASP 19 Cb 0.69 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1m4q h ASP 19 CO -0.57 -0.63 -0.09 -0.07 -1.72 0.00 0.00 179.24 176.16 1m4q h LEU 20 N -1.00 0.00 0.09 1.55 4.07 -1.82 -0.15 115.31 118.05 1m4q h LEU 20 Ca -0.08 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.74 1m4q h LEU 20 Cb 0.81 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.56 1m4q h LEU 20 CO 0.07 0.09 -0.66 0.74 -1.08 0.00 0.00 178.44 177.60 1m4q h THR 21 N 0.00 1.51 -0.18 0.22 2.02 0.50 -2.84 112.91 114.13 1m4q h THR 21 Ca -0.00 -2.44 -0.02 0.00 0.77 0.00 0.00 66.41 64.71 1m4q h THR 21 Cb 0.32 3.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1m4q h THR 21 CO 0.01 0.66 0.03 0.58 0.37 0.00 0.00 175.52 177.17 1m4q h VAL 22 N -0.60 1.23 -0.45 3.16 2.07 0.79 -0.92 116.25 121.54 1m4q h VAL 22 Ca -0.13 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1m4q h VAL 22 Cb 1.44 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1m4q h VAL 22 CO 0.07 0.23 0.29 -0.09 0.02 0.00 0.00 177.57 178.08 1m4q h ARG 23 N 0.09 0.56 -0.57 1.57 2.43 -1.18 -0.38 114.38 116.91 1m4q h ARG 23 Ca 0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1m4q h ARG 23 Cb 0.32 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1m4q h ARG 23 CO 0.00 0.37 0.27 0.93 -1.51 0.00 0.00 179.97 180.04 1m4q h GLU 24 N 0.58 0.82 0.90 0.20 5.08 -1.44 -0.88 114.58 119.84 1m4q h GLU 24 Ca 0.17 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1m4q h GLU 24 Cb -0.04 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.07 1m4q h GLU 24 CO -0.05 0.67 -0.43 1.15 -1.00 0.00 0.00 179.01 179.34 1m4q h THR 25 N 0.77 0.11 -0.98 1.13 2.02 -0.76 -2.29 112.91 112.92 1m4q h THR 25 Ca 0.20 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.50 1m4q h THR 25 Cb 0.12 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 66.56 1m4q h THR 25 CO -0.02 0.00 0.61 -0.37 0.37 0.00 0.00 175.52 176.10 1m4q h VAL 26 N -1.21 0.88 -0.58 3.16 -1.51 -1.04 -1.44 116.25 114.51 1m4q h VAL 26 Ca -0.12 -0.32 0.05 0.00 -1.23 0.00 0.00 66.70 65.08 1m4q h VAL 26 Cb 0.93 -0.13 -0.05 0.00 -2.13 0.00 0.00 31.29 29.91 1m4q h VAL 26 CO 0.20 0.17 0.30 0.78 -1.23 0.00 0.00 177.57 177.79 1m4q h ASN 27 N 0.93 0.43 0.37 4.19 4.21 -0.97 0.99 115.58 125.74 1m4q h ASN 27 Ca 0.50 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 58.02 1m4q h ASN 27 Cb 0.53 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1m4q h ASN 27 CO -0.28 0.29 -0.18 0.58 -1.29 0.00 0.00 177.43 176.55 1m4q h VAL 28 N 0.57 0.64 -0.59 2.81 2.07 -0.70 0.11 116.25 121.15 1m4q h VAL 28 Ca 0.26 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1m4q h VAL 28 Cb 0.17 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1m4q h VAL 28 CO -0.18 0.06 -0.03 0.16 0.02 0.00 0.00 177.57 177.61 1m4q h ILE 29 N -0.67 1.27 -0.08 4.57 3.07 -1.25 0.37 117.51 124.79 1m4q h ILE 29 Ca -0.05 -1.18 -0.09 0.00 1.55 0.00 0.00 64.86 65.08 1m4q h ILE 29 Cb 0.48 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 37.85 1m4q h ILE 29 CO 0.08 0.43 -0.37 0.74 -1.05 0.00 0.00 178.15 177.98 1m4q h THR 30 N 0.96 1.29 0.02 0.16 2.02 0.10 0.98 112.91 118.44 1m4q h THR 30 Ca 0.17 -1.38 -0.27 0.00 0.77 0.00 0.00 66.41 65.69 1m4q h THR 30 Cb 0.59 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1m4q h THR 30 CO 0.04 0.41 -1.48 0.25 0.37 0.00 0.00 175.52 175.10 1m4q h LEU 31 N 0.15 0.06 0.02 2.58 5.85 -0.55 -3.38 115.31 120.04 1m4q h LEU 31 Ca 0.02 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.46 1m4q h LEU 31 Cb 0.73 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1m4q h LEU 31 CO 0.05 1.09 -0.91 1.88 -0.34 0.00 0.00 178.44 180.21 1m4q h TYR 32 N 0.01 0.07 0.00 1.25 -1.99 -0.13 -3.48 116.97 112.69 1m4q h TYR 32 Ca -0.20 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.48 1m4q h TYR 32 Cb 1.94 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.67 1m4q h TYR 32 CO 0.01 1.36 0.00 0.36 -0.00 0.00 0.00 178.16 179.89 1m4q n LYS 33 N -4.41 0.00 -0.01 4.88 -0.00 0.34 -4.75 118.16 114.22 1m4q n LYS 33 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 1m4q n LYS 33 Cb 0.65 -2.26 -0.02 0.00 -0.00 0.00 0.00 35.03 33.40 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1m4q n ASP 34 N 0.00 4.26 -4.88 -5.58 9.92 -1.26 -5.04 116.55 113.97 1m4q n ASP 34 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1m4q n ASP 34 Cb 0.00 0.91 -0.02 0.00 -0.64 0.00 0.00 41.12 41.38 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1m4q s LEU 35 N -3.63 3.72 -0.02 0.64 2.96 -1.26 -3.28 118.68 117.81 1m4q s LEU 35 Ca -0.01 1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 54.84 1m4q s LEU 35 Cb 0.02 -4.01 0.02 0.00 0.50 0.00 0.00 46.19 42.72 1m4q s LEU 35 CO 0.13 -0.49 0.32 -0.54 -1.32 0.00 0.00 176.35 174.44 1m4q s LYS 36 N -4.24 0.67 0.21 1.98 1.02 0.29 -4.63 119.74 115.05 1m4q s LYS 36 Ca 0.50 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.04 1m4q s LYS 36 Cb -0.10 0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.42 1m4q s LYS 36 CO 0.37 -0.18 0.96 -1.25 -0.92 0.00 0.00 175.35 174.33 1m4q s PRO 37 N -1.26 4.80 0.01 -1.68 0.04 -1.26 -0.66 135.00 134.99 1m4q s PRO 37 Ca -0.13 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1m4q s PRO 37 Cb -0.05 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1m4q s PRO 37 CO 0.04 0.42 -0.02 0.54 0.04 0.00 0.00 177.00 178.02 1m4q s VAL 38 N -0.90 0.15 0.22 -0.36 0.11 0.15 -4.91 120.40 114.85 1m4q s VAL 38 Ca 0.43 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 1m4q s VAL 38 Cb -0.26 -0.18 -0.07 0.00 -1.53 0.00 0.00 36.38 34.34 1m4q s VAL 38 CO 0.32 -0.11 0.55 -0.22 -3.33 0.00 0.00 175.10 172.32 1m4q s LEU 39 N -0.45 4.20 0.18 2.54 1.98 -1.26 0.12 118.68 125.98 1m4q s LEU 39 Ca -0.04 0.95 -0.20 0.00 -2.89 0.00 0.00 54.13 51.96 1m4q s LEU 39 Cb -0.03 -3.62 0.05 0.00 0.66 0.00 0.00 46.19 43.25 1m4q s LEU 39 CO -0.00 -0.04 0.55 -0.62 -1.89 0.00 0.00 176.35 174.34 1m4q s ASP 40 N -2.24 -0.38 -0.30 3.68 -1.08 -0.78 -4.82 116.67 110.75 1m4q s ASP 40 Ca 0.46 -0.27 -0.09 0.00 -0.52 0.00 0.00 52.55 52.13 1m4q s ASP 40 Cb -0.12 0.58 0.16 0.00 -1.46 0.00 0.00 42.92 42.08 1m4q s ASP 40 CO 0.21 -1.01 0.74 -0.55 0.52 0.00 0.00 175.17 175.08 1m4q s SER 41 N -2.82 -1.04 0.19 -0.34 0.15 -1.26 -0.15 113.70 108.44 1m4q s SER 41 Ca 0.05 1.11 -0.01 0.00 0.70 0.00 0.00 55.95 57.80 1m4q s SER 41 Cb -0.01 2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 66.32 1m4q s SER 41 CO -0.08 -0.20 0.12 -0.47 1.20 0.00 0.00 173.24 173.82 1m4q s TYR 42 N 2.80 1.10 0.35 3.44 5.04 -1.15 -4.77 117.35 124.16 1m4q s TYR 42 Ca 0.03 -1.35 -0.17 0.00 -2.44 0.00 0.00 57.07 53.14 1m4q s TYR 42 Cb -0.11 -0.54 -0.09 0.00 0.35 0.00 0.00 41.96 41.56 1m4q s TYR 42 CO -0.19 -0.62 0.79 0.14 -1.34 0.00 0.00 175.55 174.33 1m4q s VAL 43 N -4.14 4.60 0.11 3.14 -7.23 -1.26 -0.72 120.40 114.90 1m4q s VAL 43 Ca 0.36 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.62 1m4q s VAL 43 Cb 0.07 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.40 1m4q s VAL 43 CO 0.10 -0.21 0.00 0.49 -0.31 0.00 0.00 175.10 175.17 1m4q n PHE 44 N -0.41 -1.66 -1.51 2.82 3.72 -1.19 -4.73 117.46 114.50 1m4q n PHE 44 Ca 0.04 0.27 -0.13 0.00 -0.05 0.00 0.00 57.45 57.59 1m4q n PHE 44 Cb 0.53 0.92 -0.10 0.00 -0.94 0.00 0.00 39.48 39.89 1m4q n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4q n ASN 45 N -2.79 0.96 -1.83 4.37 4.13 -1.26 -2.99 115.26 115.84 1m4q n ASN 45 Ca 0.00 -1.94 -0.13 0.00 1.68 0.00 0.00 54.58 54.19 1m4q n ASN 45 Cb 0.00 -1.52 -0.03 0.00 -1.54 0.00 0.00 39.78 36.68 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1m4q n ASP 46 N 17.18 -3.64 -0.19 6.41 8.00 -1.26 -3.56 116.55 139.49 1m4q n ASP 46 Ca 0.40 0.26 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1m4q n ASP 46 Cb 0.44 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 1m4q n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m4q n GLY 47 N -0.49 0.57 3.02 0.44 0.00 -1.16 -5.12 105.19 102.45 1m4q n GLY 47 Ca -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4q s SER 48 N -0.63 -0.50 0.30 1.61 0.01 -1.23 -4.85 113.70 108.40 1m4q s SER 48 Ca 0.00 -0.32 -0.28 0.00 1.31 0.00 0.00 55.95 56.66 1m4q s SER 48 Cb 0.00 1.50 -0.14 0.00 0.21 0.00 0.00 66.02 67.59 1m4q s SER 48 CO 0.00 -0.31 1.05 -1.20 0.41 0.00 0.00 173.24 173.20 1m4q n SER 49 N 5.18 1.52 -3.81 2.44 7.64 -1.26 -3.17 113.62 122.17 1m4q n SER 49 Ca 0.04 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 60.97 1m4q n SER 49 Cb 0.52 -1.32 -0.14 0.00 -1.01 0.00 0.00 64.21 62.26 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1m4q s ARG 50 N -1.58 0.05 -0.36 1.43 3.52 0.10 -4.86 118.95 117.25 1m4q s ARG 50 Ca 0.58 0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 56.06 1m4q s ARG 50 Cb -0.68 -0.08 0.01 0.00 -1.56 0.00 0.00 34.95 32.63 1m4q s ARG 50 CO 0.60 -0.08 1.35 -2.00 -0.81 0.00 0.00 175.30 174.36 1m4q s GLU 51 N 0.52 3.74 -0.10 5.12 2.12 -1.26 -2.91 118.70 125.93 1m4q s GLU 51 Ca -0.04 1.07 -0.06 0.00 0.36 0.00 0.00 54.97 56.31 1m4q s GLU 51 Cb -0.06 -3.95 0.04 0.00 0.26 0.00 0.00 34.13 30.42 1m4q s GLU 51 CO -0.02 -1.35 0.23 -0.48 -0.54 0.00 0.00 175.26 173.10 1m4q s LEU 52 N 4.90 0.57 0.66 2.70 -0.00 0.79 -4.81 118.68 123.49 1m4q s LEU 52 Ca 0.59 0.49 -0.11 0.00 -0.00 0.00 0.00 54.13 55.10 1m4q s LEU 52 Cb -0.15 0.71 -0.01 0.00 -0.00 0.00 0.00 46.19 46.75 1m4q s LEU 52 CO 0.28 -0.15 1.05 -0.32 -0.00 0.00 0.00 176.35 177.22 1m4q s MET 53 N 1.04 3.16 0.09 1.48 1.75 -1.16 -1.87 119.30 123.80 1m4q s MET 53 Ca -0.08 0.54 -0.10 0.00 -1.25 0.00 0.00 55.69 54.81 1m4q s MET 53 Cb -0.09 -2.07 0.00 0.00 2.84 0.00 0.00 34.83 35.52 1m4q s MET 53 CO -0.07 -0.82 0.22 0.54 -0.65 0.00 0.00 175.02 174.24 1m4q s ASN 54 N -4.28 0.07 -0.09 1.11 4.22 0.32 -1.01 114.94 115.28 1m4q s ASN 54 Ca 0.56 -0.61 -0.05 0.00 -2.14 0.00 0.00 52.86 50.62 1m4q s ASN 54 Cb -0.11 0.36 -0.04 0.00 1.28 0.00 0.00 41.25 42.74 1m4q s ASN 54 CO 0.52 -0.75 0.14 -0.76 -2.04 0.00 0.00 177.10 174.22 1m4q s LEU 55 N -2.85 4.34 0.00 3.54 2.01 0.57 0.29 118.68 126.58 1m4q s LEU 55 Ca 0.05 0.41 -0.09 0.00 0.01 0.00 0.00 54.13 54.51 1m4q s LEU 55 Cb 0.04 -2.22 0.01 0.00 0.01 0.00 0.00 46.19 44.03 1m4q s LEU 55 CO -0.11 0.36 0.17 0.28 1.01 0.00 0.00 176.35 178.07 1m4q s THR 56 N -1.11 0.08 0.00 5.49 -1.32 0.17 -1.34 115.64 117.61 1m4q s THR 56 Ca 0.19 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1m4q s THR 56 Cb -0.12 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1m4q s THR 56 CO 0.08 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1m4q n GLY 57 N 1.34 1.53 3.64 6.08 0.00 -1.24 0.11 105.19 116.65 1m4q n GLY 57 Ca -0.22 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1m4q n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4q s THR 58 N -1.83 5.09 -0.09 2.61 -4.23 -1.21 -2.62 115.64 113.37 1m4q s THR 58 Ca 0.00 0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 61.29 1m4q s THR 58 Cb 0.00 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 1m4q s THR 58 CO 0.00 0.14 0.31 -0.63 -0.54 0.00 0.00 174.62 173.90 1m4q s ILE 59 N 1.93 5.24 -0.48 2.99 1.01 0.25 -4.45 121.20 127.69 1m4q s ILE 59 Ca 0.22 0.60 -0.27 0.00 0.00 0.00 0.00 60.65 61.21 1m4q s ILE 59 Cb -0.15 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1m4q s ILE 59 CO 0.09 0.50 1.04 -2.16 0.00 0.00 0.00 174.94 174.41 1m4q s PRO 60 N -0.37 3.61 -0.35 2.79 0.04 -1.25 0.22 135.00 139.68 1m4q s PRO 60 Ca 0.19 0.33 -0.10 0.00 0.04 0.00 0.00 61.00 61.46 1m4q s PRO 60 Cb -0.14 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.49 1m4q s PRO 60 CO 0.08 -1.33 0.18 0.08 0.04 0.00 0.00 177.00 176.04 1m4q s VAL 61 N 4.15 4.52 0.08 -0.36 1.01 0.21 -4.89 120.40 125.12 1m4q s VAL 61 Ca 0.42 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1m4q s VAL 61 Cb -0.09 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1m4q s VAL 61 CO 0.29 -0.12 1.35 -2.16 0.00 0.00 0.00 175.10 174.45 1m4q s PRO 62 N 1.56 4.34 0.00 2.72 0.04 -1.26 -0.66 135.00 141.74 1m4q s PRO 62 Ca 0.03 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1m4q s PRO 62 Cb -0.18 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1m4q s PRO 62 CO 0.06 -0.42 0.00 0.98 0.04 0.00 0.00 177.00 177.66 1m4q n TYR 63 N 4.26 -0.35 -0.03 0.56 9.36 0.24 -4.65 117.16 126.56 1m4q n TYR 63 Ca 0.11 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.53 1m4q n TYR 63 Cb 0.44 0.00 0.67 0.00 -0.63 0.00 0.00 39.34 39.82 1m4q n TYR 63 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1m4q h ARG 64 N 0.00 0.04 0.00 2.98 9.65 -1.96 -3.32 114.38 121.78 1m4q h ARG 64 Ca 0.00 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1m4q h ARG 64 Cb 0.00 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1m4q h ARG 64 CO 0.00 0.03 -0.05 0.41 2.80 0.00 0.00 179.97 183.16 1m4q n GLY 65 N -1.64 0.79 0.00 2.80 0.00 -1.26 -5.14 105.19 100.74 1m4q n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1m4q n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4q n ASN 66 N 0.00 0.00 -3.43 1.61 4.13 -1.25 -5.17 115.26 111.16 1m4q n ASN 66 Ca -0.05 -0.28 -0.01 0.00 1.68 0.00 0.00 54.58 55.92 1m4q n ASN 66 Cb 0.48 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.68 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1m4q s THR 67 N -1.65 -0.92 0.39 3.41 2.01 -1.26 0.83 115.64 118.46 1m4q s THR 67 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1m4q s THR 67 Cb 0.00 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 1m4q s THR 67 CO 0.00 -0.00 0.57 -0.31 -0.69 0.00 0.00 174.62 174.18 1m4q s TYR 68 N 2.82 3.14 -0.85 4.92 1.51 0.16 -4.78 117.35 124.27 1m4q s TYR 68 Ca 0.07 -0.03 -0.13 0.00 -1.01 0.00 0.00 57.07 55.97 1m4q s TYR 68 Cb -0.14 -2.17 0.22 0.00 -0.11 0.00 0.00 41.96 39.77 1m4q s TYR 68 CO -0.19 -0.20 0.79 -0.80 -1.11 0.00 0.00 175.55 174.04 1m4q s ASN 69 N -4.21 6.74 -0.17 2.29 0.01 -1.25 0.65 114.94 118.99 1m4q s ASN 69 Ca 0.47 -2.82 -0.29 0.00 -0.71 0.00 0.00 52.86 49.50 1m4q s ASN 69 Cb -0.10 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 1m4q s ASN 69 CO 0.34 -0.52 1.17 -0.51 -1.51 0.00 0.00 177.10 176.07 1m4q s ILE 70 N -0.04 4.44 0.41 0.60 1.10 0.61 -4.59 121.20 123.73 1m4q s ILE 70 Ca 0.20 1.74 -0.24 0.00 -0.51 0.00 0.00 60.65 61.84 1m4q s ILE 70 Cb -0.11 -4.12 -0.09 0.00 0.15 0.00 0.00 42.46 38.29 1m4q s ILE 70 CO -0.09 -0.13 1.08 -2.16 -2.11 0.00 0.00 174.94 171.54 1m4q s PRO 71 N 3.16 4.09 0.23 3.50 0.04 -1.26 0.85 135.00 145.61 1m4q s PRO 71 Ca 0.51 1.59 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 1m4q s PRO 71 Cb -0.20 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1m4q s PRO 71 CO 0.13 -0.22 0.37 -1.50 0.04 0.00 0.00 177.00 175.82 1m4q s ILE 72 N -1.61 0.00 -0.29 0.56 2.07 -1.08 -3.67 121.20 117.18 1m4q s ILE 72 Ca 0.59 -1.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.28 1m4q s ILE 72 Cb -0.24 -2.30 0.19 0.00 0.13 0.00 0.00 42.46 40.24 1m4q s ILE 72 CO 0.30 0.00 0.55 0.00 -1.91 0.00 0.00 174.94 173.88 1m4q s LEU 74 N 2.77 4.13 -0.63 0.00 1.98 -0.45 -0.42 118.68 126.07 1m4q s LEU 74 Ca 0.12 0.17 -0.27 0.00 -2.89 0.00 0.00 54.13 51.25 1m4q s LEU 74 Cb -0.11 -2.14 0.03 0.00 0.66 0.00 0.00 46.19 44.63 1m4q s LEU 74 CO -0.26 0.07 1.17 0.26 -1.89 0.00 0.00 176.35 175.70 1m4q s TRP 75 N 0.98 2.54 -0.69 5.38 0.52 -1.20 -0.32 118.94 126.16 1m4q s TRP 75 Ca 0.09 0.15 -0.17 0.00 0.02 0.00 0.00 56.10 56.18 1m4q s TRP 75 Cb -0.13 -4.47 0.14 0.00 -1.15 0.00 0.00 33.47 27.85 1m4q s TRP 75 CO 0.04 -1.70 0.76 -1.17 0.02 0.00 0.00 176.95 174.89 1m4q s LEU 76 N 4.98 5.73 1.13 2.99 2.96 -0.18 -4.62 118.68 131.67 1m4q s LEU 76 Ca 0.37 -1.84 -0.18 0.00 -0.22 0.00 0.00 54.13 52.27 1m4q s LEU 76 Cb -0.09 -2.29 0.26 0.00 0.50 0.00 0.00 46.19 44.57 1m4q s LEU 76 CO 0.20 -0.96 1.14 -0.22 -1.32 0.00 0.00 176.35 175.19 1m4q s LEU 77 N 2.02 1.17 0.00 -0.68 0.20 -1.26 -3.01 118.68 117.12 1m4q s LEU 77 Ca 0.15 0.64 -0.02 0.00 0.69 0.00 0.00 54.13 55.58 1m4q s LEU 77 Cb -0.19 -2.49 -0.11 0.00 -0.43 0.00 0.00 46.19 42.97 1m4q s LEU 77 CO 0.00 -3.73 1.81 0.47 -0.29 0.00 0.00 176.35 174.61 1m4q n ASP 78 N -4.50 2.33 -1.85 3.68 9.92 -1.26 -4.49 116.55 120.38 1m4q n ASP 78 Ca 0.12 -1.91 -0.14 0.00 -0.53 0.00 0.00 54.79 52.33 1m4q n ASP 78 Cb 0.59 -0.62 -0.04 0.00 -0.64 0.00 0.00 41.12 40.41 1m4q n ASP 78 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1m4q n THR 79 N 2.70 -0.29 -4.69 -3.53 -2.24 -1.26 -3.83 114.28 101.14 1m4q n THR 79 Ca 0.18 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 1m4q n THR 79 Cb 0.39 -1.63 -0.13 0.00 -2.10 0.00 0.00 70.33 66.87 1m4q n THR 79 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1m4q s TYR 80 N -2.41 2.86 -0.27 4.78 6.14 -1.26 -2.12 117.35 125.06 1m4q s TYR 80 Ca 0.00 -0.28 0.27 0.00 0.64 0.00 0.00 57.07 57.70 1m4q s TYR 80 Cb 0.00 -1.78 0.81 0.00 0.42 0.00 0.00 41.96 41.41 1m4q s TYR 80 CO 0.00 0.06 1.77 -1.00 0.64 0.00 0.00 175.55 177.03 1m4q h PRO 81 N 5.99 0.00 0.00 4.97 0.13 -1.99 -3.42 132.00 137.67 1m4q h PRO 81 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1m4q h PRO 81 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1m4q h PRO 81 CO 0.55 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.30 1m4q n TYR 82 N -2.96 -1.28 -3.68 1.56 9.36 -0.90 -5.12 117.16 114.14 1m4q n TYR 82 Ca 0.03 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.15 1m4q n TYR 82 Cb 0.42 0.27 -0.11 0.00 -0.63 0.00 0.00 39.34 39.29 1m4q n TYR 82 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1m4q s ASN 83 N -1.67 -0.29 -0.35 2.98 2.47 -1.26 -4.75 114.94 112.07 1m4q s ASN 83 Ca 0.00 0.86 -0.29 0.00 0.42 0.00 0.00 52.86 53.85 1m4q s ASN 83 Cb 0.00 0.94 -0.00 0.00 -1.45 0.00 0.00 41.25 40.74 1m4q s ASN 83 CO 0.00 -0.21 1.49 -2.16 -3.72 0.00 0.00 177.10 172.50 1m4q s PRO 84 N 1.95 3.63 0.03 0.43 0.04 -1.26 -4.88 135.00 134.94 1m4q s PRO 84 Ca -0.05 1.19 0.27 0.00 0.04 0.00 0.00 61.00 62.45 1m4q s PRO 84 Cb -0.10 -4.03 0.96 0.00 0.04 0.00 0.00 34.50 31.37 1m4q s PRO 84 CO -0.12 -1.49 1.75 -0.35 0.04 0.00 0.00 177.00 176.84 1m4q n PRO 85 N 7.93 0.05 -1.75 0.56 -0.04 -1.26 -4.89 135.00 135.60 1m4q n PRO 85 Ca 0.18 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 1m4q n PRO 85 Cb 0.47 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1m4q n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4q s ILE 86 N -3.02 2.04 0.00 0.52 1.01 -1.26 -5.00 121.20 115.48 1m4q s ILE 86 Ca 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1m4q s ILE 86 Cb 0.18 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1m4q s ILE 86 CO 0.59 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.53 1m4q s PHE 88 N -0.21 -0.21 0.20 0.00 0.40 0.44 -2.49 117.98 116.12 1m4q s PHE 88 Ca -0.02 0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 56.75 1m4q s PHE 88 Cb -0.02 0.06 -0.06 0.00 0.51 0.00 0.00 43.02 43.51 1m4q s PHE 88 CO -0.00 -0.11 0.48 0.54 0.70 0.00 0.00 175.22 176.83 1m4q s VAL 89 N 0.25 5.04 -0.99 -0.44 0.11 -0.35 0.13 120.40 124.14 1m4q s VAL 89 Ca -0.01 0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1m4q s VAL 89 Cb -0.03 -3.64 0.26 0.00 -1.53 0.00 0.00 36.38 31.45 1m4q s VAL 89 CO -0.01 -0.07 1.03 0.29 -3.33 0.00 0.00 175.10 173.01 1m4q n LYS 90 N -0.17 3.29 -2.49 1.54 4.76 -1.24 -4.77 118.16 119.07 1m4q n LYS 90 Ca -0.01 -4.50 -0.42 0.00 -2.87 0.00 0.00 58.31 50.51 1m4q n LYS 90 Cb 0.52 -2.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.22 1m4q n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1m4q s PRO 91 N -1.68 4.33 0.81 1.97 0.04 -1.26 -4.68 135.00 134.53 1m4q s PRO 91 Ca 0.30 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 1m4q s PRO 91 Cb -0.04 -3.60 0.08 0.00 0.04 0.00 0.00 34.50 30.98 1m4q s PRO 91 CO -0.06 -0.49 1.15 0.95 0.04 0.00 0.00 177.00 178.60 1m4q s THR 92 N 2.47 2.32 0.23 1.26 -4.23 -1.26 -4.89 115.64 111.54 1m4q s THR 92 Ca 0.54 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 61.09 1m4q s THR 92 Cb -0.23 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.75 1m4q s THR 92 CO 0.19 -0.14 1.79 -1.28 -0.54 0.00 0.00 174.62 174.65 1m4q h SER 93 N -1.07 0.52 0.22 3.99 0.87 -2.05 0.86 113.55 116.88 1m4q h SER 93 Ca -0.47 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1m4q h SER 93 Cb 1.31 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1m4q h SER 93 CO 0.64 0.30 -0.03 -1.20 -0.53 0.00 0.00 176.83 176.02 1m4q n SER 94 N -4.83 0.32 -4.95 6.23 7.64 -1.26 -4.85 113.62 111.91 1m4q n SER 94 Ca 0.11 -0.76 -0.23 0.00 1.01 0.00 0.00 58.87 59.00 1m4q n SER 94 Cb 0.26 -0.08 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1m4q s MET 95 N -2.25 3.06 -0.04 1.43 0.00 0.29 -3.57 119.30 118.22 1m4q s MET 95 Ca 0.37 -0.49 -0.01 0.00 0.00 0.00 0.00 55.69 55.56 1m4q s MET 95 Cb 0.21 -2.56 0.03 0.00 0.00 0.00 0.00 34.83 32.51 1m4q s MET 95 CO 0.41 -0.27 0.02 0.99 0.00 0.00 0.00 175.02 176.17 1m4q s THR 96 N -2.55 0.14 0.26 10.11 2.01 -1.23 -4.71 115.64 119.67 1m4q s THR 96 Ca 0.48 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 1m4q s THR 96 Cb -0.10 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 72.01 1m4q s THR 96 CO 0.38 0.19 1.19 -0.63 -0.69 0.00 0.00 174.62 175.06 1m4q s ILE 97 N 1.66 3.29 -0.50 1.82 1.01 -1.26 -2.54 121.20 124.68 1m4q s ILE 97 Ca -0.01 1.22 -0.13 0.00 0.00 0.00 0.00 60.65 61.73 1m4q s ILE 97 Cb -0.13 -3.78 0.12 0.00 0.01 0.00 0.00 42.46 38.68 1m4q s ILE 97 CO -0.03 0.26 0.41 -0.75 0.00 0.00 0.00 174.94 174.82 1m4q s LYS 98 N -1.10 2.75 0.47 2.79 2.36 0.59 -4.91 119.74 122.68 1m4q s LYS 98 Ca 0.49 -1.68 -0.22 0.00 -2.55 0.00 0.00 55.97 52.01 1m4q s LYS 98 Cb -0.34 -4.09 -0.07 0.00 -1.05 0.00 0.00 37.83 32.27 1m4q s LYS 98 CO 0.43 -1.22 1.13 0.95 1.55 0.00 0.00 175.35 178.19 1m4q s THR 99 N 1.49 3.26 -5.00 3.43 -4.23 -1.26 -4.28 115.64 109.04 1m4q s THR 99 Ca 0.04 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1m4q s THR 99 Cb -0.27 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1m4q s THR 99 CO 0.02 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1m4q n GLY 100 N 0.33 -0.54 0.26 3.99 0.00 0.69 -4.84 105.19 105.08 1m4q n GLY 100 Ca 0.08 -1.32 0.15 0.00 0.00 0.00 0.00 46.02 44.93 1m4q n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m4q h LYS 101 N 0.77 0.00 0.00 1.61 1.79 -1.92 0.31 116.57 119.13 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1m4q h LYS 101 CO 0.00 0.00 -1.12 0.72 -1.08 0.00 0.00 179.45 177.97 1m4q n HIS 102 N -2.64 0.00 -3.62 -1.35 8.25 -1.24 -3.67 115.22 110.95 1m4q n HIS 102 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.30 1m4q n HIS 102 Cb 0.17 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 1m4q n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4q s VAL 103 N -2.94 0.04 -0.04 1.59 1.01 0.10 -3.40 120.40 116.75 1m4q s VAL 103 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1m4q s VAL 103 Cb 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1m4q s VAL 103 CO 0.80 -0.17 -0.04 0.44 0.00 0.00 0.00 175.10 176.13 1m4q h ASP 104 N 3.03 0.00 0.00 3.32 3.32 -1.71 0.20 116.42 124.58 1m4q h ASP 104 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1m4q h ASP 104 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1m4q h ASP 104 CO 0.41 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 178.16 1m4q n ALA 105 N -2.59 0.00 0.29 3.45 0.00 -1.26 -4.52 120.51 115.88 1m4q n ALA 105 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1m4q n ALA 105 Cb 0.06 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.75 1m4q n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4q n ASN 106 N 0.00 2.88 0.00 0.00 5.03 -1.26 -4.90 115.26 117.01 1m4q n ASN 106 Ca 0.00 -2.02 0.00 0.00 0.87 0.00 0.00 54.58 53.43 1m4q n ASN 106 Cb 0.00 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1m4q n GLY 107 N 1.32 3.47 3.77 7.41 0.00 -1.26 -4.91 105.19 114.99 1m4q n GLY 107 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1m4q n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4q s LYS 108 N -0.94 4.20 0.11 1.61 0.00 -1.26 -1.21 119.74 122.24 1m4q s LYS 108 Ca 0.00 2.04 -0.29 0.00 0.00 0.00 0.00 55.97 57.72 1m4q s LYS 108 Cb 0.00 -2.89 -0.06 0.00 0.00 0.00 0.00 37.83 34.88 1m4q s LYS 108 CO 0.00 -0.26 0.93 0.42 0.00 0.00 0.00 175.35 176.44 1m4q s ILE 109 N -1.25 4.51 -0.30 3.79 1.01 -1.04 -2.75 121.20 125.17 1m4q s ILE 109 Ca 0.53 2.00 -0.03 0.00 0.00 0.00 0.00 60.65 63.15 1m4q s ILE 109 Cb -0.36 -4.29 0.11 0.00 0.01 0.00 0.00 42.46 37.93 1m4q s ILE 109 CO 0.46 0.34 0.16 -0.47 0.00 0.00 0.00 174.94 175.43 1m4q s TYR 110 N -0.08 0.28 0.19 3.97 5.04 -1.22 -4.85 117.35 120.67 1m4q s TYR 110 Ca 0.45 -0.90 -0.20 0.00 -2.44 0.00 0.00 57.07 53.99 1m4q s TYR 110 Cb -0.23 -0.85 0.07 0.00 0.35 0.00 0.00 41.96 41.30 1m4q s TYR 110 CO 0.29 -0.84 0.96 1.47 -1.34 0.00 0.00 175.55 176.08 1m4q n LEU 111 N 5.10 0.00 -4.56 6.97 -0.00 -1.24 -3.69 117.00 119.57 1m4q n LEU 111 Ca -0.03 -1.45 -0.36 0.00 -0.00 0.00 0.00 56.01 54.17 1m4q n LEU 111 Cb 0.42 2.71 -0.03 0.00 -0.00 0.00 0.00 43.42 46.52 1m4q n LEU 111 CO 0.05 -0.48 1.51 -2.16 -0.00 0.00 0.00 177.39 176.31 1m4q s PRO 112 N -2.05 3.27 0.05 1.47 0.04 -1.26 -4.59 135.00 131.92 1m4q s PRO 112 Ca 0.21 -1.01 -0.03 0.00 0.04 0.00 0.00 61.00 60.21 1m4q s PRO 112 Cb -0.03 -5.29 -0.01 0.00 0.04 0.00 0.00 34.50 29.21 1m4q s PRO 112 CO 0.06 -2.68 -0.06 0.66 0.04 0.00 0.00 177.00 175.01 1m4q n TYR 113 N 10.67 0.00 0.02 0.56 4.01 -1.26 -4.47 117.16 126.69 1m4q n TYR 113 Ca 0.38 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 58.00 1m4q n TYR 113 Cb 0.49 -0.09 -0.09 0.00 -0.31 0.00 0.00 39.34 39.34 1m4q n TYR 113 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1m4q h LEU 114 N -0.18 -0.11 0.00 7.72 5.85 -1.95 -2.79 115.31 123.86 1m4q h LEU 114 Ca 0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1m4q h LEU 114 Cb 0.18 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1m4q h LEU 114 CO 0.00 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 1m4q n HIS 115 N -4.86 0.00 0.00 1.25 1.44 -1.26 -4.02 115.22 107.77 1m4q n HIS 115 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1m4q n HIS 115 Cb 0.29 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.06 1m4q n HIS 115 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1m4q n GLU 116 N -1.33 0.00 0.00 -1.40 2.13 -1.20 -5.00 120.64 113.83 1m4q n GLU 116 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1m4q n GLU 116 Cb 0.11 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 31.70 1m4q n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4q n TRP 117 N -1.14 0.00 -3.34 4.31 -0.00 -1.06 -4.94 117.44 111.27 1m4q n TRP 117 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.33 1m4q n TRP 117 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 31.31 31.36 1m4q n TRP 117 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1m4q n LYS 118 N 0.00 -1.86 0.00 5.87 5.02 -1.26 -4.94 118.16 120.99 1m4q n LYS 118 Ca 0.00 0.85 -0.18 0.00 -2.02 0.00 0.00 58.31 56.96 1m4q n LYS 118 Cb 0.00 -5.33 -0.07 0.00 -0.02 0.00 0.00 35.03 29.60 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1m4q h HIS 119 N -1.07 1.03 0.37 2.13 2.76 -1.94 -3.47 115.15 114.97 1m4q h HIS 119 Ca -0.55 -0.49 -0.02 0.00 -2.20 0.00 0.00 60.37 57.12 1m4q h HIS 119 Cb 1.28 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1m4q h HIS 119 CO 0.29 1.32 -0.18 -1.35 -1.30 0.00 0.00 177.93 176.71 1m4q h PRO 120 N 0.48 -0.48 0.00 5.26 0.11 -2.03 -3.50 132.00 131.84 1m4q h PRO 120 Ca -0.07 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1m4q h PRO 120 Cb 1.49 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.71 1m4q h PRO 120 CO 0.17 -0.17 0.00 1.04 -0.21 0.00 0.00 178.00 178.83 1m4q n GLN 121 N -5.13 0.00 -2.85 1.05 1.13 -1.26 -4.86 117.38 105.45 1m4q n GLN 121 Ca -0.09 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.57 1m4q n GLN 121 Cb 0.27 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.56 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1m4q s SER 122 N 0.00 7.52 0.56 1.08 0.15 -1.26 -5.07 113.70 116.68 1m4q s SER 122 Ca 0.00 1.79 0.07 0.00 0.70 0.00 0.00 55.95 58.51 1m4q s SER 122 Cb 0.00 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.82 1m4q s SER 122 CO 0.00 0.16 0.57 0.47 1.20 0.00 0.00 173.24 175.64 1m4q n ASP 123 N 1.66 2.46 -0.36 5.45 8.00 -1.26 -4.85 116.55 127.65 1m4q n ASP 123 Ca -0.03 -2.72 0.29 0.00 0.71 0.00 0.00 54.79 53.04 1m4q n ASP 123 Cb 0.48 -0.20 0.55 0.00 -0.02 0.00 0.00 41.12 41.93 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1m4q h LEU 124 N 0.00 0.40 0.01 0.64 5.85 -1.97 0.29 115.31 120.52 1m4q h LEU 124 Ca -0.31 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1m4q h LEU 124 Cb 1.25 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1m4q h LEU 124 CO 0.47 -0.20 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.29 1m4q h LEU 125 N 0.19 -0.01 -1.80 2.25 4.07 -1.94 -3.11 115.31 114.95 1m4q h LEU 125 Ca 0.78 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 58.31 1m4q h LEU 125 Cb 2.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.77 1m4q h LEU 125 CO -0.58 0.43 0.13 1.23 -1.08 0.00 0.00 178.44 178.58 1m4q h GLY 126 N -0.46 0.28 0.32 0.83 0.00 -0.90 -1.79 103.07 101.35 1m4q h GLY 126 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1m4q h GLY 126 CO 0.00 0.10 -0.20 -2.00 0.00 0.00 0.00 176.54 174.44 1m4q h LEU 127 N 0.27 -0.51 -1.89 3.11 6.46 -0.83 -2.24 115.31 119.68 1m4q h LEU 127 Ca 0.07 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1m4q h LEU 127 Cb -0.03 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1m4q h LEU 127 CO -0.02 -0.31 0.22 0.40 -0.62 0.00 0.00 178.44 178.12 1m4q h ILE 128 N -0.49 0.91 -0.99 4.05 2.04 -1.50 -1.22 117.51 120.31 1m4q h ILE 128 Ca -0.04 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1m4q h ILE 128 Cb 0.40 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1m4q h ILE 128 CO 0.04 0.02 0.64 -0.61 0.00 0.00 0.00 178.15 178.25 1m4q h GLN 129 N 0.13 1.15 -0.38 2.37 4.15 -1.03 -1.21 115.11 120.28 1m4q h GLN 129 Ca 0.15 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 1m4q h GLN 129 Cb 0.41 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1m4q h GLN 129 CO -0.02 0.76 0.08 0.28 -1.93 0.00 0.00 178.83 178.00 1m4q h VAL 130 N 1.18 1.23 -0.96 2.39 2.07 -0.62 -1.35 116.25 120.19 1m4q h VAL 130 Ca 0.42 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1m4q h VAL 130 Cb 0.13 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1m4q h VAL 130 CO -0.16 0.28 0.63 0.24 0.02 0.00 0.00 177.57 178.58 1m4q h MET 131 N 0.48 1.17 -0.54 1.57 2.86 -1.30 0.30 114.93 119.46 1m4q h MET 131 Ca 0.12 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1m4q h MET 131 Cb 0.33 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1m4q h MET 131 CO 0.00 0.77 0.08 0.82 1.06 0.00 0.00 176.91 179.65 1m4q h ILE 132 N 1.21 1.25 0.15 -1.22 5.03 -0.93 0.34 117.51 123.33 1m4q h ILE 132 Ca 0.39 -0.97 -0.01 0.00 -0.12 0.00 0.00 64.86 64.14 1m4q h ILE 132 Cb 0.02 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 34.65 1m4q h ILE 132 CO -0.12 0.35 -0.07 0.58 -0.68 0.00 0.00 178.15 178.21 1m4q h VAL 133 N 0.79 0.99 0.11 1.67 2.07 -0.33 -0.49 116.25 121.07 1m4q h VAL 133 Ca 0.16 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1m4q h VAL 133 Cb 0.42 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1m4q h VAL 133 CO 0.01 0.16 -0.07 0.58 0.02 0.00 0.00 177.57 178.27 1m4q h VAL 134 N -0.52 0.85 0.00 2.57 2.07 -0.41 -1.64 116.25 119.16 1m4q h VAL 134 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1m4q h VAL 134 Cb 0.41 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1m4q h VAL 134 CO 0.03 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.36 1m4q h PHE 135 N -0.18 0.00 -0.51 1.57 0.04 -0.36 -0.70 116.94 116.80 1m4q h PHE 135 Ca -0.01 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1m4q h PHE 135 Cb 0.15 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1m4q h PHE 135 CO -0.09 0.00 0.34 0.78 -0.60 0.00 0.00 178.31 178.74 1m4q h GLY 136 N 1.32 0.65 0.00 -1.45 0.00 -0.06 -3.32 103.07 100.21 1m4q h GLY 136 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1m4q h GLY 136 CO 0.00 0.20 -1.23 1.22 0.00 0.00 0.00 176.54 176.73 1m4q n ASP 137 N -4.47 3.70 -4.53 0.19 9.92 -1.07 -4.51 116.55 115.78 1m4q n ASP 137 Ca 0.06 -0.02 -0.43 0.00 -0.53 0.00 0.00 54.79 53.87 1m4q n ASP 137 Cb 0.14 -0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1m4q s GLU 138 N -2.08 3.39 -0.32 -1.24 8.01 -0.29 -5.01 118.70 121.15 1m4q s GLU 138 Ca -0.05 -0.15 -0.29 0.00 0.01 0.00 0.00 54.97 54.49 1m4q s GLU 138 Cb 0.01 -4.00 -0.02 0.00 -4.31 0.00 0.00 34.13 25.82 1m4q s GLU 138 CO 0.10 -1.34 1.74 -1.25 0.01 0.00 0.00 175.26 174.52 1m4q s PRO 139 N 3.72 3.43 0.04 0.39 0.04 -1.26 -4.11 135.00 137.24 1m4q s PRO 139 Ca 0.31 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1m4q s PRO 139 Cb -0.12 -4.16 -0.25 0.00 0.04 0.00 0.00 34.50 30.01 1m4q s PRO 139 CO 0.21 -1.75 0.98 -1.00 0.04 0.00 0.00 177.00 175.49 1m4q h PRO 140 N 12.35 0.13 -1.32 0.56 0.13 -1.89 -3.44 132.00 138.53 1m4q h PRO 140 Ca -0.33 -0.23 -0.21 0.00 -0.87 0.00 0.00 66.00 64.36 1m4q h PRO 140 Cb 1.16 0.08 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 1m4q h PRO 140 CO 1.03 0.98 -0.57 0.54 -0.23 0.00 0.00 178.00 179.76 1m4q s VAL 141 N -2.65 -0.73 -0.11 1.56 0.11 -1.26 -0.30 120.40 117.02 1m4q s VAL 141 Ca -0.05 -0.88 -0.21 0.00 -2.93 0.00 0.00 61.98 57.91 1m4q s VAL 141 Cb 0.08 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1m4q s VAL 141 CO 0.84 -0.24 0.62 0.72 -3.33 0.00 0.00 175.10 173.71 1m4q s PHE 142 N 1.17 3.51 0.51 1.54 -0.12 -1.05 -4.69 117.98 118.84 1m4q s PHE 142 Ca 0.24 1.08 -0.03 0.00 -0.05 0.00 0.00 56.93 58.17 1m4q s PHE 142 Cb -0.03 -2.73 -0.00 0.00 -0.63 0.00 0.00 43.02 39.62 1m4q s PHE 142 CO -0.07 0.05 0.78 0.45 -0.05 0.00 0.00 175.22 176.38 1m4q s SER 143 N 0.84 5.80 0.35 1.98 0.15 -1.26 -3.55 113.70 118.00 1m4q s SER 143 Ca 0.32 0.54 -0.26 0.00 0.70 0.00 0.00 55.95 57.26 1m4q s SER 143 Cb -0.16 -1.70 -0.09 0.00 -1.71 0.00 0.00 66.02 62.35 1m4q s SER 143 CO 0.14 -0.82 1.05 0.00 1.20 0.00 0.00 173.24 174.81 1m4q s ARG 144 N -4.75 4.37 0.00 5.44 1.70 -1.23 -4.93 118.95 119.55 1m4q s ARG 144 Ca 0.50 1.59 0.20 0.00 -0.47 0.00 0.00 55.73 57.55 1m4q s ARG 144 Cb -0.10 -2.80 1.18 0.00 -0.57 0.00 0.00 34.95 32.66 1m4q s ARG 144 CO 0.42 0.03 1.57 -0.35 -1.08 0.00 0.00 175.30 175.88