#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 1.53 -0.06 0.00 0.31 -1.26 -4.06 118.33 114.78 1m4q n VAL 3 Ca 0.00 -0.42 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 1m4q n VAL 3 Cb 0.00 -1.77 -0.12 0.00 -0.91 0.00 0.00 33.84 31.04 1m4q n VAL 3 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1m4q h SER 4 N -0.71 -0.00 -0.59 4.52 4.64 -2.05 -3.02 113.55 116.34 1m4q h SER 4 Ca -0.65 -0.93 0.10 0.00 -0.47 0.00 0.00 61.79 59.84 1m4q h SER 4 Cb 1.68 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.70 1m4q h SER 4 CO -0.31 0.94 0.18 -0.08 -0.87 0.00 0.00 176.83 176.69 1m4q h GLU 5 N -0.95 0.33 -0.35 4.77 4.81 -1.99 0.76 114.58 121.95 1m4q h GLU 5 Ca -0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1m4q h GLU 5 Cb 0.93 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1m4q h GLU 5 CO 0.00 0.22 0.22 1.03 -0.73 0.00 0.00 179.01 179.75 1m4q h SER 6 N 0.34 0.37 0.56 1.04 0.87 -1.71 -2.07 113.55 112.96 1m4q h SER 6 Ca 0.30 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.77 1m4q h SER 6 Cb 0.41 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1m4q h SER 6 CO -0.34 0.27 -0.44 -0.61 -0.53 0.00 0.00 176.83 175.18 1m4q h GLN 7 N 0.45 0.00 -0.39 2.24 4.15 -1.15 -3.11 115.11 117.30 1m4q h GLN 7 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1m4q h GLN 7 Cb -0.03 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1m4q h GLN 7 CO -0.05 0.44 0.26 1.25 -1.93 0.00 0.00 178.83 178.80 1m4q h LEU 8 N 0.00 0.45 -1.00 -2.39 5.85 0.12 -2.23 115.31 116.11 1m4q h LEU 8 Ca -0.00 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1m4q h LEU 8 Cb 0.84 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 1m4q h LEU 8 CO 0.06 0.33 0.64 0.50 -0.34 0.00 0.00 178.44 179.63 1m4q h LYS 9 N 0.53 1.04 0.00 1.25 3.64 -1.39 0.26 116.57 121.90 1m4q h LYS 9 Ca 0.14 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1m4q h LYS 9 Cb -0.06 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.52 1m4q h LYS 9 CO -0.03 0.69 -0.07 0.87 -2.27 0.00 0.00 179.45 178.63 1m4q h LYS 10 N 1.07 0.00 0.00 1.90 1.57 -1.51 -2.87 116.57 116.73 1m4q h LYS 10 Ca 0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.24 1m4q h LYS 10 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1m4q h LYS 10 CO -0.23 0.07 -0.04 0.52 -0.57 0.00 0.00 179.45 179.21 1m4q h MET 11 N 0.00 0.00 0.00 3.15 2.86 -0.36 -3.37 114.93 117.21 1m4q h MET 11 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1m4q h MET 11 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1m4q h MET 11 CO 0.01 0.04 0.00 1.33 1.06 0.00 0.00 176.91 179.35 1m4q n VAL 12 N -3.32 0.00 0.00 -2.22 0.24 -1.09 -4.91 118.33 107.02 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 0.18 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 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 -0.71 0.00 0.00 -1.34 7.64 -1.19 -4.21 113.62 113.81 1m4q n SER 13 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1m4q n SER 13 Cb 0.00 0.00 0.84 0.00 -1.01 0.00 0.00 64.21 64.04 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 0.87 -2.21 1.43 4.81 -1.26 -4.82 118.16 116.98 1m4q n LYS 14 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1m4q n LYS 14 Cb 0.00 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.53 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 -2.02 3.12 0.52 5.64 1.51 -1.26 -4.89 117.35 119.97 1m4q s TYR 15 Ca 0.42 1.50 0.18 0.00 -1.01 0.00 0.00 57.07 58.16 1m4q s TYR 15 Cb 0.20 -3.55 1.31 0.00 -0.11 0.00 0.00 41.96 39.80 1m4q s TYR 15 CO 0.33 -1.54 2.12 -0.22 -1.11 0.00 0.00 175.55 175.14 1m4q h LYS 16 N 3.24 0.00 -0.99 -0.62 3.64 -1.89 -2.99 116.57 116.96 1m4q h LYS 16 Ca -0.49 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.54 1m4q h LYS 16 Cb 1.23 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.65 1m4q h LYS 16 CO 0.65 0.00 -1.19 0.66 -2.27 0.00 0.00 179.45 177.30 1m4q n TYR 17 N -4.49 1.10 -0.37 1.91 4.01 -1.26 -4.94 117.16 113.12 1m4q n TYR 17 Ca -0.00 -2.78 0.28 0.00 -0.16 0.00 0.00 57.90 55.24 1m4q n TYR 17 Cb 0.20 -0.35 0.54 0.00 -0.31 0.00 0.00 39.34 39.42 1m4q n TYR 17 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1m4q h ARG 18 N 2.99 0.27 0.80 -0.72 0.11 -1.84 0.32 114.38 116.30 1m4q h ARG 18 Ca -0.10 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.92 1m4q h ARG 18 Cb 1.18 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 32.21 1m4q h ARG 18 CO 0.49 0.18 -0.38 -0.44 0.10 0.00 0.00 179.97 179.92 1m4q h ASP 19 N 0.28 -0.91 0.33 0.08 5.19 -1.92 0.77 116.42 120.24 1m4q h ASP 19 Ca 0.71 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 57.10 1m4q h ASP 19 Cb 1.89 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 41.63 1m4q h ASP 19 CO -0.42 -0.63 -0.19 -0.07 -3.12 0.00 0.00 179.24 174.81 1m4q h LEU 20 N -1.10 0.00 0.01 1.55 -0.00 -1.45 -1.26 115.31 113.05 1m4q h LEU 20 Ca -0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.75 1m4q h LEU 20 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1m4q h LEU 20 CO 0.18 0.19 -0.07 0.74 -0.00 0.00 0.00 178.44 179.47 1m4q h THR 21 N 0.00 1.66 -0.41 0.22 2.02 -0.19 -2.58 112.91 113.63 1m4q h THR 21 Ca -0.00 -2.05 0.01 0.00 0.77 0.00 0.00 66.41 65.14 1m4q h THR 21 Cb 0.41 3.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.83 1m4q h THR 21 CO 0.02 0.54 0.25 0.58 0.37 0.00 0.00 175.52 177.28 1m4q h VAL 22 N -0.79 1.06 -0.49 3.16 2.07 0.68 0.24 116.25 122.18 1m4q h VAL 22 Ca -0.01 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1m4q h VAL 22 Cb 0.92 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1m4q h VAL 22 CO 0.01 0.09 0.31 -0.09 0.02 0.00 0.00 177.57 177.92 1m4q h ARG 23 N 0.50 0.62 -0.50 1.57 9.65 -1.34 0.18 114.38 125.06 1m4q h ARG 23 Ca 0.16 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 1m4q h ARG 23 Cb -0.01 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 1m4q h ARG 23 CO -0.06 0.41 0.17 0.93 2.80 0.00 0.00 179.97 184.21 1m4q h GLU 24 N 0.64 0.77 0.80 0.20 5.08 -1.03 -1.19 114.58 119.85 1m4q h GLU 24 Ca 0.19 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1m4q h GLU 24 Cb -0.04 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.10 1m4q h GLU 24 CO -0.06 0.71 -0.39 1.15 -1.00 0.00 0.00 179.01 179.42 1m4q h THR 25 N 0.68 0.20 -0.96 1.13 2.02 -0.03 -2.29 112.91 113.65 1m4q h THR 25 Ca 0.16 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 67.46 1m4q h THR 25 Cb 0.25 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 66.77 1m4q h THR 25 CO -0.01 0.00 0.58 -0.37 0.37 0.00 0.00 175.52 176.09 1m4q h VAL 26 N -1.10 0.80 -0.61 3.16 -1.51 -0.65 -0.69 116.25 115.65 1m4q h VAL 26 Ca -0.11 -0.28 0.06 0.00 -1.23 0.00 0.00 66.70 65.13 1m4q h VAL 26 Cb 0.83 -0.09 -0.05 0.00 -2.13 0.00 0.00 31.29 29.84 1m4q h VAL 26 CO 0.18 0.15 0.32 -1.13 -1.23 0.00 0.00 177.57 175.86 1m4q h ASN 27 N 0.83 0.46 0.44 4.19 -1.24 -1.00 0.88 115.58 120.13 1m4q h ASN 27 Ca 0.51 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.54 1m4q h ASN 27 Cb 0.66 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.66 1m4q h ASN 27 CO -0.33 0.30 -0.21 0.58 -1.29 0.00 0.00 177.43 176.48 1m4q h VAL 28 N 0.60 0.55 -0.62 2.57 2.07 -0.57 0.84 116.25 121.68 1m4q h VAL 28 Ca 0.28 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1m4q h VAL 28 Cb 0.19 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1m4q h VAL 28 CO -0.19 0.05 0.22 0.16 0.02 0.00 0.00 177.57 177.83 1m4q h ILE 29 N -0.76 1.23 -0.24 4.57 3.07 -1.17 0.43 117.51 124.63 1m4q h ILE 29 Ca -0.06 -0.75 -0.09 0.00 1.55 0.00 0.00 64.86 65.51 1m4q h ILE 29 Cb 0.53 0.52 -0.01 0.00 -0.27 0.00 0.00 36.82 37.59 1m4q h ILE 29 CO 0.10 0.29 -0.25 0.74 -1.05 0.00 0.00 178.15 177.98 1m4q h THR 30 N 0.90 1.26 0.13 0.16 2.02 0.87 0.90 112.91 119.15 1m4q h THR 30 Ca 0.21 -1.24 -0.28 0.00 0.77 0.00 0.00 66.41 65.86 1m4q h THR 30 Cb 0.22 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1m4q h THR 30 CO -0.01 0.39 -1.32 0.25 0.37 0.00 0.00 175.52 175.20 1m4q h LEU 31 N 0.40 0.43 0.07 2.58 5.85 -0.24 -3.37 115.31 121.03 1m4q h LEU 31 Ca 0.06 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1m4q h LEU 31 Cb 0.65 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1m4q h LEU 31 CO 0.05 1.39 -0.03 1.88 -0.34 0.00 0.00 178.44 181.38 1m4q h TYR 32 N 0.08 -0.08 0.00 1.25 0.05 0.01 -3.48 116.97 114.80 1m4q h TYR 32 Ca -0.16 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1m4q h TYR 32 Cb 1.99 0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.76 1m4q h TYR 32 CO 0.07 0.27 0.00 0.36 -1.05 0.00 0.00 178.16 177.81 1m4q n LYS 33 N -4.80 0.00 -0.01 4.88 2.85 0.31 -4.72 118.16 116.68 1m4q n LYS 33 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1m4q n LYS 33 Cb 0.19 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 32.96 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1m4q n ASP 34 N 0.00 4.35 -4.50 -5.58 8.00 -1.26 -4.94 116.55 112.61 1m4q n ASP 34 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1m4q n ASP 34 Cb 0.00 0.89 -0.04 0.00 -0.02 0.00 0.00 41.12 41.95 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4q s LEU 35 N -3.61 4.21 0.09 0.64 2.96 -1.26 -3.88 118.68 117.83 1m4q s LEU 35 Ca -0.01 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.23 1m4q s LEU 35 Cb 0.01 -2.72 -0.07 0.00 0.50 0.00 0.00 46.19 43.92 1m4q s LEU 35 CO 0.11 -1.25 0.51 -0.75 -1.32 0.00 0.00 176.35 173.66 1m4q s LYS 36 N 3.88 4.01 0.26 1.98 2.20 0.40 -4.49 119.74 127.99 1m4q s LYS 36 Ca 0.28 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 1m4q s LYS 36 Cb -0.14 -3.07 -0.09 0.00 -1.51 0.00 0.00 37.83 33.02 1m4q s LYS 36 CO 0.17 0.57 0.97 -1.25 -0.36 0.00 0.00 175.35 175.45 1m4q s PRO 37 N -1.56 4.77 -0.00 4.03 0.04 -1.26 -0.31 135.00 140.70 1m4q s PRO 37 Ca 0.32 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1m4q s PRO 37 Cb -0.16 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1m4q s PRO 37 CO 0.18 0.42 -0.01 0.14 0.04 0.00 0.00 177.00 177.77 1m4q s VAL 38 N -1.25 0.09 0.27 -0.36 -7.23 0.30 -4.90 120.40 107.33 1m4q s VAL 38 Ca 0.43 -0.03 -0.04 0.00 -1.81 0.00 0.00 61.98 60.53 1m4q s VAL 38 Cb -0.26 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 1m4q s VAL 38 CO 0.32 0.04 0.53 -0.76 -0.31 0.00 0.00 175.10 174.92 1m4q s LEU 39 N 0.10 4.09 -0.27 1.32 1.43 -1.26 -1.38 118.68 122.70 1m4q s LEU 39 Ca -0.01 0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1m4q s LEU 39 Cb -0.02 -3.48 0.14 0.00 0.03 0.00 0.00 46.19 42.86 1m4q s LEU 39 CO -0.00 -0.17 0.56 -1.81 0.23 0.00 0.00 176.35 175.16 1m4q s ASP 40 N -3.14 -0.89 -0.82 2.29 1.11 -0.75 -4.97 116.67 109.50 1m4q s ASP 40 Ca 0.43 1.16 -0.25 0.00 0.18 0.00 0.00 52.55 54.06 1m4q s ASP 40 Cb -0.11 1.96 0.02 0.00 1.07 0.00 0.00 42.92 45.86 1m4q s ASP 40 CO 0.30 -0.24 1.53 -0.55 1.18 0.00 0.00 175.17 177.38 1m4q s SER 41 N 2.80 5.97 -0.03 0.27 0.15 -1.26 -2.11 113.70 119.48 1m4q s SER 41 Ca 0.03 -0.65 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 1m4q s SER 41 Cb -0.13 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1m4q s SER 41 CO -0.18 -1.96 0.08 -0.47 1.20 0.00 0.00 173.24 171.91 1m4q s TYR 42 N 6.70 3.32 0.28 3.44 5.04 -1.06 -4.74 117.35 130.33 1m4q s TYR 42 Ca 0.49 0.25 -0.16 0.00 -2.44 0.00 0.00 57.07 55.22 1m4q s TYR 42 Cb -0.06 -1.78 -0.09 0.00 0.35 0.00 0.00 41.96 40.39 1m4q s TYR 42 CO 0.06 0.57 0.71 0.14 -1.34 0.00 0.00 175.55 175.69 1m4q s VAL 43 N -1.13 4.68 0.10 3.14 -7.23 -1.26 -2.07 120.40 116.64 1m4q s VAL 43 Ca 0.20 0.98 0.00 0.00 -1.81 0.00 0.00 61.98 61.35 1m4q s VAL 43 Cb -0.12 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1m4q s VAL 43 CO 0.11 -0.06 0.00 0.49 -0.31 0.00 0.00 175.10 175.32 1m4q n PHE 44 N -0.04 -1.77 -1.55 2.82 3.72 -0.63 -4.85 117.46 115.16 1m4q n PHE 44 Ca 0.01 0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 57.55 1m4q n PHE 44 Cb 0.53 0.94 -0.10 0.00 -0.94 0.00 0.00 39.48 39.91 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 -2.76 1.31 -1.77 4.37 3.02 -1.25 -3.04 115.26 115.15 1m4q n ASN 45 Ca 0.00 -2.03 -0.15 0.00 -0.03 0.00 0.00 54.58 52.36 1m4q n ASN 45 Cb 0.00 -1.64 -0.05 0.00 -0.61 0.00 0.00 39.78 37.48 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1m4q n ASP 46 N 18.71 -4.24 0.00 6.41 8.00 -1.26 -0.77 116.55 143.40 1m4q n ASP 46 Ca 0.42 0.29 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1m4q n ASP 46 Cb 0.45 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 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 -0.48 1.19 3.68 0.44 0.00 -1.17 -5.08 105.19 103.77 1m4q n GLY 47 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 7.15 0.39 1.61 0.01 0.05 -4.65 113.70 116.26 1m4q s SER 48 Ca 0.00 1.42 -0.25 0.00 1.31 0.00 0.00 55.95 58.43 1m4q s SER 48 Cb 0.00 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 1m4q s SER 48 CO 0.00 -0.44 1.10 -0.94 0.41 0.00 0.00 173.24 173.37 1m4q s SER 49 N 1.11 6.69 -0.07 2.44 1.04 -1.26 -1.61 113.70 122.04 1m4q s SER 49 Ca 0.45 2.19 -0.15 0.00 0.48 0.00 0.00 55.95 58.92 1m4q s SER 49 Cb -0.18 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.37 1m4q s SER 49 CO 0.16 -0.55 0.35 0.00 0.98 0.00 0.00 173.24 174.18 1m4q s ARG 50 N -2.33 0.58 -0.56 4.02 1.70 -0.88 -4.96 118.95 116.52 1m4q s ARG 50 Ca 0.56 0.14 -0.27 0.00 -0.47 0.00 0.00 55.73 55.70 1m4q s ARG 50 Cb -0.26 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1m4q s ARG 50 CO 0.33 -0.13 1.90 -1.21 -1.08 0.00 0.00 175.30 175.11 1m4q s GLU 51 N -0.64 2.68 -0.34 3.89 8.01 -1.26 -2.56 118.70 128.47 1m4q s GLU 51 Ca -0.07 0.79 -0.14 0.00 0.01 0.00 0.00 54.97 55.55 1m4q s GLU 51 Cb -0.04 -4.38 -0.01 0.00 -4.31 0.00 0.00 34.13 25.39 1m4q s GLU 51 CO 0.03 -2.66 0.30 -1.17 0.01 0.00 0.00 175.26 171.77 1m4q s LEU 52 N 9.04 4.51 0.09 1.80 1.98 -0.90 -4.95 118.68 130.26 1m4q s LEU 52 Ca 0.71 -0.36 -0.29 0.00 -2.89 0.00 0.00 54.13 51.30 1m4q s LEU 52 Cb -0.14 -2.23 -0.05 0.00 0.66 0.00 0.00 46.19 44.42 1m4q s LEU 52 CO 0.23 -0.30 0.94 -0.32 -1.89 0.00 0.00 176.35 175.01 1m4q s MET 53 N 1.86 4.66 0.27 1.98 -2.45 -1.23 -1.81 119.30 122.58 1m4q s MET 53 Ca 0.09 1.40 -0.09 0.00 -1.25 0.00 0.00 55.69 55.84 1m4q s MET 53 Cb -0.17 -3.38 -0.01 0.00 1.25 0.00 0.00 34.83 32.52 1m4q s MET 53 CO 0.11 0.20 0.43 0.54 1.05 0.00 0.00 175.02 177.34 1m4q s ASN 54 N 0.09 0.19 0.02 1.11 4.22 -0.48 -0.77 114.94 119.32 1m4q s ASN 54 Ca 0.46 -1.14 0.02 0.00 -2.14 0.00 0.00 52.86 50.07 1m4q s ASN 54 Cb -0.23 0.58 -0.02 0.00 1.28 0.00 0.00 41.25 42.86 1m4q s ASN 54 CO 0.29 -1.14 -0.08 -0.76 -2.04 0.00 0.00 177.10 173.36 1m4q s LEU 55 N -3.09 2.14 0.03 3.54 1.43 -0.98 0.11 118.68 121.86 1m4q s LEU 55 Ca 0.27 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1m4q s LEU 55 Cb 0.01 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 1m4q s LEU 55 CO 0.12 -0.05 0.13 0.28 0.23 0.00 0.00 176.35 177.06 1m4q s THR 56 N -0.76 0.12 0.00 5.49 -1.32 0.58 -1.87 115.64 117.88 1m4q s THR 56 Ca -0.03 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1m4q s THR 56 Cb -0.06 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1m4q s THR 56 CO 0.00 -0.55 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 1m4q n GLY 57 N 0.82 0.98 3.55 6.08 0.00 -1.10 -0.45 105.19 115.08 1m4q n GLY 57 Ca -0.19 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.60 4.87 0.10 2.61 -4.23 -1.25 -1.17 115.64 114.97 1m4q s THR 58 Ca 0.00 0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.81 1m4q s THR 58 Cb 0.00 -4.12 -0.06 0.00 1.34 0.00 0.00 72.50 69.66 1m4q s THR 58 CO 0.00 -0.41 0.44 0.27 -0.54 0.00 0.00 174.62 174.38 1m4q s ILE 59 N 2.74 5.04 -0.19 2.99 -4.36 0.29 -4.47 121.20 123.24 1m4q s ILE 59 Ca 0.23 0.53 -0.29 0.00 -0.26 0.00 0.00 60.65 60.86 1m4q s ILE 59 Cb -0.14 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 39.88 1m4q s ILE 59 CO 0.16 0.26 1.45 -2.16 0.24 0.00 0.00 174.94 174.90 1m4q s PRO 60 N -1.97 4.03 -0.20 0.37 0.04 -1.25 -0.54 135.00 135.49 1m4q s PRO 60 Ca 0.35 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1m4q s PRO 60 Cb -0.14 -3.91 0.05 0.00 0.04 0.00 0.00 34.50 30.54 1m4q s PRO 60 CO 0.19 -1.00 -0.06 0.08 0.04 0.00 0.00 177.00 176.25 1m4q s VAL 61 N 4.30 1.33 0.05 -0.36 1.01 0.19 -4.86 120.40 122.06 1m4q s VAL 61 Ca 0.64 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 1m4q s VAL 61 Cb -0.24 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 1m4q s VAL 61 CO 0.24 0.04 1.43 -2.16 0.00 0.00 0.00 175.10 174.64 1m4q s PRO 62 N 1.51 4.29 0.00 2.72 0.04 -1.26 0.65 135.00 142.96 1m4q s PRO 62 Ca -0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1m4q s PRO 62 Cb -0.17 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1m4q s PRO 62 CO -0.07 -0.54 0.00 0.98 0.04 0.00 0.00 177.00 177.41 1m4q n TYR 63 N 4.85 -1.22 0.21 0.56 9.36 0.35 -4.39 117.16 126.88 1m4q n TYR 63 Ca 0.13 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.47 1m4q n TYR 63 Cb 0.43 0.00 0.64 0.00 -0.63 0.00 0.00 39.34 39.78 1m4q n TYR 63 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 0.11 -1.94 -3.26 114.38 112.27 1m4q h ARG 64 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1m4q h ARG 64 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1m4q h ARG 64 CO 0.00 0.00 -0.39 0.41 0.10 0.00 0.00 179.97 180.09 1m4q n GLY 65 N -1.25 -0.10 2.58 0.08 0.00 -1.26 -5.15 105.19 100.09 1m4q n GLY 65 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 1m4q n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4q n ASN 66 N -3.54 -1.35 -4.63 1.61 6.94 -1.23 -5.13 115.26 107.93 1m4q n ASN 66 Ca -0.03 -2.25 -0.42 0.00 -0.02 0.00 0.00 54.58 51.85 1m4q n ASN 66 Cb 0.19 2.34 -0.03 0.00 -2.36 0.00 0.00 39.78 39.91 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1m4q s THR 67 N -2.52 4.67 0.35 5.53 2.01 -1.26 0.13 115.64 124.56 1m4q s THR 67 Ca 0.16 1.48 0.03 0.00 0.31 0.00 0.00 61.69 63.67 1m4q s THR 67 Cb -0.02 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1m4q s THR 67 CO 0.12 -0.33 0.53 -0.31 -0.69 0.00 0.00 174.62 173.93 1m4q s TYR 68 N 3.24 3.29 -1.12 4.92 1.51 0.21 -4.67 117.35 124.73 1m4q s TYR 68 Ca 0.38 0.07 -0.08 0.00 -1.01 0.00 0.00 57.07 56.44 1m4q s TYR 68 Cb -0.13 -1.99 0.27 0.00 -0.11 0.00 0.00 41.96 40.00 1m4q s TYR 68 CO 0.13 -0.01 1.31 0.09 -1.11 0.00 0.00 175.55 175.96 1m4q n ASN 69 N -1.76 5.77 -4.69 2.29 3.02 -1.26 0.53 115.26 119.17 1m4q n ASN 69 Ca -0.02 -3.16 -0.42 0.00 -0.03 0.00 0.00 54.58 50.94 1m4q n ASN 69 Cb 0.57 -1.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.35 1m4q n ASN 69 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1m4q s ILE 70 N -1.43 4.15 0.21 2.41 1.10 0.30 -4.50 121.20 123.45 1m4q s ILE 70 Ca 0.33 1.49 -0.30 0.00 -0.51 0.00 0.00 60.65 61.66 1m4q s ILE 70 Cb -0.04 -3.96 -0.08 0.00 0.15 0.00 0.00 42.46 38.54 1m4q s ILE 70 CO -0.01 0.00 1.00 -2.16 -2.11 0.00 0.00 174.94 171.66 1m4q s PRO 71 N 2.22 4.75 0.34 3.50 0.04 -1.26 0.11 135.00 144.70 1m4q s PRO 71 Ca 0.57 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1m4q s PRO 71 Cb -0.26 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 30.99 1m4q s PRO 71 CO 0.23 0.33 0.45 -1.50 0.04 0.00 0.00 177.00 176.56 1m4q s ILE 72 N -0.77 0.00 -0.23 0.56 2.07 -0.32 -3.70 121.20 118.81 1m4q s ILE 72 Ca 0.44 -1.63 -0.19 0.00 -1.41 0.00 0.00 60.65 57.85 1m4q s ILE 72 Cb -0.27 -2.62 0.06 0.00 0.13 0.00 0.00 42.46 39.76 1m4q s ILE 72 CO 0.33 0.00 0.60 0.00 -1.91 0.00 0.00 174.94 173.97 1m4q s LEU 74 N 0.59 0.86 -0.45 0.00 2.01 -0.78 -3.13 118.68 117.79 1m4q s LEU 74 Ca -0.02 -0.05 -0.24 0.00 0.01 0.00 0.00 54.13 53.83 1m4q s LEU 74 Cb -0.05 -0.32 0.03 0.00 0.01 0.00 0.00 46.19 45.86 1m4q s LEU 74 CO -0.03 -0.14 0.86 0.26 1.01 0.00 0.00 176.35 178.30 1m4q s TRP 75 N 1.48 2.96 -0.50 0.29 0.52 -1.22 -2.31 118.94 120.16 1m4q s TRP 75 Ca -0.03 0.30 -0.19 0.00 0.02 0.00 0.00 56.10 56.20 1m4q s TRP 75 Cb -0.13 -3.81 0.06 0.00 -1.15 0.00 0.00 33.47 28.44 1m4q s TRP 75 CO -0.03 -1.03 0.59 -0.51 0.02 0.00 0.00 176.95 175.99 1m4q s LEU 76 N 3.52 5.01 1.08 2.99 1.02 0.05 -4.39 118.68 127.96 1m4q s LEU 76 Ca 0.34 -0.92 -0.16 0.00 0.02 0.00 0.00 54.13 53.41 1m4q s LEU 76 Cb -0.11 -2.43 0.23 0.00 0.02 0.00 0.00 46.19 43.90 1m4q s LEU 76 CO 0.24 -0.85 1.13 -0.22 0.02 0.00 0.00 176.35 176.68 1m4q s LEU 77 N 2.51 1.32 0.04 1.79 2.96 -1.26 -3.47 118.68 122.57 1m4q s LEU 77 Ca 0.14 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.54 1m4q s LEU 77 Cb -0.19 -2.75 -0.17 0.00 0.50 0.00 0.00 46.19 43.58 1m4q s LEU 77 CO 0.12 -3.50 1.43 0.44 -1.32 0.00 0.00 176.35 173.51 1m4q h ASP 78 N -2.16 -0.61 0.00 3.68 5.19 -1.94 -3.44 116.42 117.13 1m4q h ASP 78 Ca -0.48 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 55.83 1m4q h ASP 78 Cb 1.30 0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.90 1m4q h ASP 78 CO 0.45 -0.34 0.18 1.07 -3.12 0.00 0.00 179.24 177.48 1m4q n THR 79 N -5.35 0.00 -3.71 0.35 5.66 -1.26 -4.41 114.28 105.56 1m4q n THR 79 Ca -0.12 -0.48 -0.14 0.00 -3.05 0.00 0.00 64.05 60.26 1m4q n THR 79 Cb 0.32 0.54 -0.09 0.00 -1.55 0.00 0.00 70.33 69.56 1m4q n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4q s TYR 80 N 0.02 -0.37 0.13 1.09 5.04 -1.26 -4.53 117.35 117.46 1m4q s TYR 80 Ca 0.02 0.76 0.12 0.00 -2.44 0.00 0.00 57.07 55.52 1m4q s TYR 80 Cb 0.04 0.17 0.18 0.00 0.35 0.00 0.00 41.96 42.70 1m4q s TYR 80 CO -0.01 -0.36 1.50 -1.35 -1.34 0.00 0.00 175.55 173.99 1m4q h PRO 81 N 4.39 0.00 0.00 4.97 0.11 -2.01 -3.43 132.00 136.03 1m4q h PRO 81 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1m4q h PRO 81 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1m4q h PRO 81 CO 0.33 0.68 0.00 0.98 -0.21 0.00 0.00 178.00 179.78 1m4q n TYR 82 N -3.50 0.00 -3.79 0.65 4.19 -1.26 -5.13 117.16 108.31 1m4q n TYR 82 Ca -0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 1m4q n TYR 82 Cb 0.72 0.00 -0.12 0.00 0.49 0.00 0.00 39.34 40.44 1m4q n TYR 82 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1m4q s ASN 83 N -1.07 -0.25 -0.43 2.98 3.84 -1.26 -5.04 114.94 113.70 1m4q s ASN 83 Ca 0.00 0.48 -0.31 0.00 0.21 0.00 0.00 52.86 53.23 1m4q s ASN 83 Cb 0.00 0.49 -0.10 0.00 -0.55 0.00 0.00 41.25 41.08 1m4q s ASN 83 CO 0.00 -0.09 2.31 -0.81 -2.79 0.00 0.00 177.10 175.72 1m4q n PRO 84 N 2.93 1.10 0.00 0.43 -0.04 -1.26 -4.91 135.00 133.24 1m4q n PRO 84 Ca -0.13 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1m4q n PRO 84 Cb 0.58 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1m4q n PRO 84 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1m4q n PRO 85 N 8.53 0.00 0.00 0.54 -0.04 -1.26 -4.97 135.00 137.80 1m4q n PRO 85 Ca 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1m4q n PRO 85 Cb 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 1m4q n PRO 85 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1m4q n ILE 86 N 0.00 0.00 -3.77 0.52 5.41 -1.26 -4.67 119.36 115.60 1m4q n ILE 86 Ca 0.00 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 1m4q n ILE 86 Cb 0.00 0.00 -0.18 0.00 -0.71 0.00 0.00 39.64 38.75 1m4q n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m4q s PHE 88 N 1.92 -0.09 -0.17 0.00 -0.12 -1.18 -2.66 117.98 115.67 1m4q s PHE 88 Ca 0.03 0.04 -0.12 0.00 -0.05 0.00 0.00 56.93 56.83 1m4q s PHE 88 Cb -0.12 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 1m4q s PHE 88 CO -0.04 -0.42 0.23 0.54 -0.05 0.00 0.00 175.22 175.48 1m4q s VAL 89 N -1.89 5.34 -0.49 -2.49 0.11 0.38 -2.09 120.40 119.28 1m4q s VAL 89 Ca -0.10 0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 59.18 1m4q s VAL 89 Cb -0.04 -3.57 0.05 0.00 -1.53 0.00 0.00 36.38 31.29 1m4q s VAL 89 CO 0.00 0.41 0.60 -1.59 -3.33 0.00 0.00 175.10 171.19 1m4q s LYS 90 N 0.41 3.14 0.40 1.54 0.00 -1.24 -4.70 119.74 119.28 1m4q s LYS 90 Ca 0.13 -0.82 -0.23 0.00 0.00 0.00 0.00 55.97 55.06 1m4q s LYS 90 Cb -0.12 -4.06 -0.10 0.00 0.00 0.00 0.00 37.83 33.54 1m4q s LYS 90 CO 0.02 -1.15 0.96 -1.25 0.00 0.00 0.00 175.35 173.93 1m4q s PRO 91 N 2.57 4.31 0.00 1.78 0.05 -1.26 -4.62 135.00 137.83 1m4q s PRO 91 Ca 0.15 1.22 0.00 0.00 0.05 0.00 0.00 61.00 62.42 1m4q s PRO 91 Cb -0.18 -2.38 0.00 0.00 0.05 0.00 0.00 34.50 31.98 1m4q s PRO 91 CO 0.13 0.04 0.10 0.25 0.05 0.00 0.00 177.00 177.56 1m4q n THR 92 N -0.26 0.00 0.00 1.26 -2.24 -1.26 -5.02 114.28 106.75 1m4q n THR 92 Ca 0.05 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1m4q n THR 92 Cb 0.52 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1m4q n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m4q n SER 93 N -1.54 0.00 -0.76 3.42 2.88 -1.26 -4.92 113.62 111.45 1m4q n SER 93 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1m4q n SER 93 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 1m4q n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1m4q n SER 94 N 0.00 2.23 -4.94 -3.46 7.64 -1.26 -4.92 113.62 108.92 1m4q n SER 94 Ca 0.00 -1.88 -0.25 0.00 1.01 0.00 0.00 58.87 57.76 1m4q n SER 94 Cb 0.00 -0.21 0.05 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.58 2.46 -0.04 1.43 0.00 -1.26 -3.13 119.30 117.17 1m4q s MET 95 Ca 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 55.69 55.64 1m4q s MET 95 Cb 0.17 -2.29 0.03 0.00 0.00 0.00 0.00 34.83 32.74 1m4q s MET 95 CO 0.24 -0.96 0.04 0.99 0.00 0.00 0.00 175.02 175.34 1m4q s THR 96 N -3.04 0.03 0.08 10.11 2.01 -0.74 -4.86 115.64 119.22 1m4q s THR 96 Ca 0.58 0.31 -0.31 0.00 0.31 0.00 0.00 61.69 62.58 1m4q s THR 96 Cb -0.11 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.09 1m4q s THR 96 CO 0.43 0.19 1.42 -0.63 -0.69 0.00 0.00 174.62 175.33 1m4q s ILE 97 N 1.92 3.40 -0.39 1.82 1.01 -1.26 -0.50 121.20 127.20 1m4q s ILE 97 Ca 0.02 0.94 -0.12 0.00 0.00 0.00 0.00 60.65 61.49 1m4q s ILE 97 Cb -0.12 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.77 1m4q s ILE 97 CO -0.03 0.04 0.25 -0.75 0.00 0.00 0.00 174.94 174.45 1m4q s LYS 98 N 1.62 2.86 0.13 2.79 2.36 0.36 -4.87 119.74 124.99 1m4q s LYS 98 Ca 0.65 -1.09 -0.31 0.00 -2.55 0.00 0.00 55.97 52.68 1m4q s LYS 98 Cb -0.35 -3.84 -0.07 0.00 -1.05 0.00 0.00 37.83 32.52 1m4q s LYS 98 CO 0.29 -0.74 1.29 0.95 1.55 0.00 0.00 175.35 178.69 1m4q s THR 99 N 1.60 3.54 0.37 3.43 -4.23 -1.26 -4.71 115.64 114.38 1m4q s THR 99 Ca 0.03 1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 61.56 1m4q s THR 99 Cb -0.19 -3.74 0.06 0.00 1.34 0.00 0.00 72.50 69.96 1m4q s THR 99 CO 0.08 0.12 0.75 0.61 -0.54 0.00 0.00 174.62 175.64 1m4q n GLY 100 N 2.99 1.03 0.35 3.99 0.00 0.30 -4.96 105.19 108.88 1m4q n GLY 100 Ca 0.09 -1.24 0.18 0.00 0.00 0.00 0.00 46.02 45.04 1m4q n GLY 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1m4q h LYS 101 N 0.00 0.00 0.00 1.61 2.10 -1.99 0.25 116.57 118.54 1m4q h LYS 101 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1m4q h LYS 101 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1m4q h LYS 101 CO 0.40 0.00 -0.73 0.72 -2.00 0.00 0.00 179.45 177.84 1m4q n HIS 102 N -3.46 0.01 -3.67 0.07 8.25 -1.26 -4.83 115.22 110.32 1m4q n HIS 102 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 1m4q n HIS 102 Cb 0.39 -0.15 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 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 -3.01 -0.01 -0.09 1.59 1.01 0.89 -1.91 120.40 118.88 1m4q s VAL 103 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1m4q s VAL 103 Cb 0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1m4q s VAL 103 CO 0.77 0.01 -0.07 0.44 0.00 0.00 0.00 175.10 176.26 1m4q h ASP 104 N 6.13 0.00 0.00 3.32 3.32 -1.80 0.85 116.42 128.24 1m4q h ASP 104 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 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 0.18 0.45 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 1m4q n ALA 105 N -2.90 0.00 -0.10 3.45 0.00 -1.26 -4.58 120.51 115.12 1m4q n ALA 105 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1m4q n ALA 105 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.66 -3.05 0.00 5.03 -1.26 -4.99 115.26 112.64 1m4q n ASN 106 Ca 0.00 -1.76 -0.20 0.00 0.87 0.00 0.00 54.58 53.49 1m4q n ASN 106 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 38.82 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 -0.38 -0.32 3.74 7.41 0.00 -1.26 -4.93 105.19 109.46 1m4q n GLY 107 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.04 1.45 0.27 1.61 -2.85 -1.26 -0.47 119.74 112.45 1m4q s LYS 108 Ca 0.47 -0.76 -0.28 0.00 -1.00 0.00 0.00 55.97 54.40 1m4q s LYS 108 Cb -0.21 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 1m4q s LYS 108 CO 0.58 -0.66 0.93 0.42 0.10 0.00 0.00 175.35 176.72 1m4q s ILE 109 N -3.63 4.16 -0.13 3.79 1.01 -1.09 -4.56 121.20 120.75 1m4q s ILE 109 Ca 0.10 1.94 0.17 0.00 0.00 0.00 0.00 60.65 62.86 1m4q s ILE 109 Cb -0.03 -4.18 -0.24 0.00 0.01 0.00 0.00 42.46 38.02 1m4q s ILE 109 CO 0.02 0.35 0.36 0.00 0.00 0.00 0.00 174.94 175.67 1m4q n TYR 110 N 1.11 0.38 -1.70 3.97 9.36 -0.80 -4.90 117.16 124.57 1m4q n TYR 110 Ca -0.01 0.13 -0.43 0.00 3.32 0.00 0.00 57.90 60.91 1m4q n TYR 110 Cb 0.48 -1.01 -0.02 0.00 -0.63 0.00 0.00 39.34 38.16 1m4q n TYR 110 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1m4q n LEU 111 N -2.79 3.68 -0.21 2.98 4.77 -1.26 -4.90 117.00 119.27 1m4q n LEU 111 Ca -0.23 1.14 -0.05 0.00 -0.03 0.00 0.00 56.01 56.84 1m4q n LEU 111 Cb 1.03 -1.51 0.12 0.00 -2.33 0.00 0.00 43.42 40.73 1m4q n LEU 111 CO 0.44 -0.17 0.99 1.55 -1.33 0.00 0.00 177.39 178.87 1m4q h PRO 112 N 4.71 1.02 0.00 3.23 0.13 -1.97 -3.46 132.00 135.66 1m4q h PRO 112 Ca -0.46 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1m4q h PRO 112 Cb 1.25 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1m4q h PRO 112 CO 0.79 0.88 0.00 0.66 -0.23 0.00 0.00 178.00 180.10 1m4q n TYR 113 N -4.26 0.00 -0.03 1.56 4.01 -1.26 -3.53 117.16 113.65 1m4q n TYR 113 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.66 1m4q n TYR 113 Cb 0.23 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.00 0.08 -1.35 7.72 5.85 -1.95 -0.45 115.31 125.21 1m4q h LEU 114 Ca 0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1m4q h LEU 114 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1m4q h LEU 114 CO 0.00 0.63 0.00 0.45 -0.34 0.00 0.00 178.44 179.18 1m4q h HIS 115 N -0.46 0.00 0.00 1.25 3.86 -1.96 -3.20 115.15 114.64 1m4q h HIS 115 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1m4q h HIS 115 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1m4q h HIS 115 CO 0.12 0.00 -0.21 -1.91 0.86 0.00 0.00 177.93 176.79 1m4q n GLU 116 N -2.33 0.12 0.00 2.45 2.13 -1.14 -4.94 120.64 116.93 1m4q n GLU 116 Ca -0.01 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1m4q n GLU 116 Cb 0.09 -0.78 0.00 0.00 0.27 0.00 0.00 31.44 31.03 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 -2.93 0.00 -3.97 4.31 -0.00 -0.19 -4.92 117.44 109.74 1m4q n TRP 117 Ca -0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.13 1m4q n TRP 117 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.41 1m4q n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1m4q n LYS 118 N -0.01 -1.50 0.01 5.87 2.85 -1.21 -4.89 118.16 119.28 1m4q n LYS 118 Ca 0.00 0.28 -0.15 0.00 -1.05 0.00 0.00 58.31 57.39 1m4q n LYS 118 Cb 0.00 -3.72 -0.04 0.00 -0.65 0.00 0.00 35.03 30.63 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4q h HIS 119 N -2.07 0.87 0.25 5.58 2.76 -1.91 -3.47 115.15 117.17 1m4q h HIS 119 Ca -0.67 -0.39 -0.01 0.00 -2.20 0.00 0.00 60.37 57.09 1m4q h HIS 119 Cb 1.38 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.22 1m4q h HIS 119 CO 0.42 1.20 -0.12 -1.00 -1.30 0.00 0.00 177.93 177.13 1m4q h PRO 120 N 0.43 -0.32 0.00 5.26 0.13 -2.02 -3.50 132.00 131.97 1m4q h PRO 120 Ca -0.05 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1m4q h PRO 120 Cb 1.40 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1m4q h PRO 120 CO 0.15 0.02 0.00 1.04 -0.23 0.00 0.00 178.00 178.98 1m4q n GLN 121 N -5.01 0.00 -2.89 0.86 1.13 -1.26 -4.82 117.38 105.38 1m4q n GLN 121 Ca -0.08 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.58 1m4q n GLN 121 Cb 0.25 0.00 -0.04 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 7.26 0.53 1.08 0.15 -1.26 -5.02 113.70 116.45 1m4q s SER 122 Ca 0.00 1.52 0.02 0.00 0.70 0.00 0.00 55.95 58.19 1m4q s SER 122 Cb 0.00 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 1m4q s SER 122 CO 0.00 -0.07 0.18 -0.67 1.20 0.00 0.00 173.24 173.87 1m4q n ASP 123 N 3.17 3.14 -0.34 5.45 2.03 -1.26 -4.85 116.55 123.88 1m4q n ASP 123 Ca 0.00 -3.10 0.21 0.00 0.52 0.00 0.00 54.79 52.43 1m4q n ASP 123 Cb 0.50 0.19 0.44 0.00 -0.72 0.00 0.00 41.12 41.53 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1m4q h LEU 124 N 0.00 0.58 0.08 -2.67 6.46 -1.97 0.95 115.31 118.74 1m4q h LEU 124 Ca -0.39 0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1m4q h LEU 124 Cb 1.28 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 1m4q h LEU 124 CO 0.64 -0.01 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.34 1m4q h LEU 125 N 0.44 -0.09 -1.43 2.25 -0.00 -1.95 -3.09 115.31 111.44 1m4q h LEU 125 Ca 0.69 -0.39 -0.06 0.00 -0.00 0.00 0.00 57.88 58.12 1m4q h LEU 125 Cb 1.48 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.16 1m4q h LEU 125 CO -0.52 0.36 -0.28 1.23 -0.00 0.00 0.00 178.44 179.23 1m4q h GLY 126 N -0.56 0.00 0.76 0.83 0.00 -1.39 -2.93 103.07 99.78 1m4q h GLY 126 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1m4q h GLY 126 CO 0.02 0.00 -0.41 -2.00 0.00 0.00 0.00 176.54 174.15 1m4q h LEU 127 N 0.00 -1.04 -1.69 3.11 6.46 0.86 -2.26 115.31 120.75 1m4q h LEU 127 Ca -0.00 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1m4q h LEU 127 Cb 0.51 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 1m4q h LEU 127 CO 0.04 -0.61 0.32 0.40 -0.62 0.00 0.00 178.44 177.97 1m4q h ILE 128 N -0.95 0.96 -0.59 4.05 5.03 -1.50 -1.88 117.51 122.63 1m4q h ILE 128 Ca -0.07 -0.13 0.06 0.00 -0.12 0.00 0.00 64.86 64.60 1m4q h ILE 128 Cb 0.79 0.54 -0.05 0.00 -3.03 0.00 0.00 36.82 35.07 1m4q h ILE 128 CO 0.04 0.07 0.30 -0.61 -0.68 0.00 0.00 178.15 177.27 1m4q h GLN 129 N 0.38 0.55 -0.17 2.37 4.15 -1.23 0.34 115.11 121.50 1m4q h GLN 129 Ca 0.21 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1m4q h GLN 129 Cb 0.33 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1m4q h GLN 129 CO -0.05 0.36 0.05 0.28 -1.93 0.00 0.00 178.83 177.54 1m4q h VAL 130 N 0.57 1.20 -0.83 2.39 2.07 -0.95 -0.17 116.25 120.52 1m4q h VAL 130 Ca 0.27 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1m4q h VAL 130 Cb 0.20 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1m4q h VAL 130 CO -0.19 0.19 0.53 -0.03 0.02 0.00 0.00 177.57 178.09 1m4q h MET 131 N 0.09 1.01 -0.56 1.57 4.05 -1.19 0.34 114.93 120.24 1m4q h MET 131 Ca 0.05 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1m4q h MET 131 Cb 0.25 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1m4q h MET 131 CO -0.00 0.67 0.28 0.82 0.23 0.00 0.00 176.91 178.91 1m4q h ILE 132 N 1.04 1.20 0.15 1.77 2.04 -0.08 0.46 117.51 124.08 1m4q h ILE 132 Ca 0.33 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1m4q h ILE 132 Cb 0.01 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1m4q h ILE 132 CO -0.11 0.22 -0.07 0.58 0.00 0.00 0.00 178.15 178.77 1m4q h VAL 133 N 0.76 0.99 0.15 1.67 2.07 -0.24 0.89 116.25 122.54 1m4q h VAL 133 Ca 0.19 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1m4q h VAL 133 Cb 0.10 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1m4q h VAL 133 CO -0.03 0.15 -0.08 0.58 0.02 0.00 0.00 177.57 178.22 1m4q h VAL 134 N -0.52 0.84 0.00 2.57 2.07 -0.25 -2.07 116.25 118.88 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 0.40 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 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 -0.21 0.00 -0.95 1.57 -1.00 -0.12 -1.16 116.94 115.07 1m4q h PHE 135 Ca -0.02 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.83 1m4q h PHE 135 Cb 0.17 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.66 1m4q h PHE 135 CO -0.08 0.00 0.62 0.78 -1.61 0.00 0.00 178.31 178.02 1m4q h GLY 136 N 1.48 1.41 0.00 -1.45 0.00 -0.06 -3.26 103.07 101.19 1m4q h GLY 136 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 47.33 46.62 1m4q h GLY 136 CO 0.00 0.32 -2.00 1.22 0.00 0.00 0.00 176.54 176.08 1m4q n ASP 137 N -4.49 2.36 -4.53 0.19 9.92 -1.13 -4.05 116.55 114.82 1m4q n ASP 137 Ca 0.14 -0.07 -0.43 0.00 -0.53 0.00 0.00 54.79 53.90 1m4q n ASP 137 Cb 0.19 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.63 1m4q n ASP 137 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1m4q s GLU 138 N -2.35 3.36 -0.31 -1.24 2.56 -0.45 -4.98 118.70 115.28 1m4q s GLU 138 Ca -0.20 -0.22 -0.29 0.00 0.00 0.00 0.00 54.97 54.27 1m4q s GLU 138 Cb 0.06 -4.01 -0.02 0.00 2.00 0.00 0.00 34.13 32.16 1m4q s GLU 138 CO 0.45 -1.35 1.69 -1.25 -0.56 0.00 0.00 175.26 174.24 1m4q s PRO 139 N 3.68 3.50 0.11 4.30 0.04 -1.26 -4.30 135.00 141.07 1m4q s PRO 139 Ca 0.30 1.42 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1m4q s PRO 139 Cb -0.13 -4.13 -0.15 0.00 0.04 0.00 0.00 34.50 30.13 1m4q s PRO 139 CO 0.20 -1.66 1.26 -1.00 0.04 0.00 0.00 177.00 175.84 1m4q h PRO 140 N 11.97 0.54 -1.31 0.56 0.13 -1.85 -3.42 132.00 138.61 1m4q h PRO 140 Ca -0.33 -0.57 -0.13 0.00 -0.87 0.00 0.00 66.00 64.09 1m4q h PRO 140 Cb 1.16 0.16 -0.23 0.00 0.13 0.00 0.00 31.00 32.21 1m4q h PRO 140 CO 1.03 1.20 -0.51 0.54 -0.23 0.00 0.00 178.00 180.03 1m4q s VAL 141 N -3.29 -0.80 -0.04 1.56 0.11 -1.26 -0.49 120.40 116.19 1m4q s VAL 141 Ca -0.07 -0.27 -0.22 0.00 -2.93 0.00 0.00 61.98 58.49 1m4q s VAL 141 Cb 0.08 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 1m4q s VAL 141 CO 0.89 -0.17 0.64 0.72 -3.33 0.00 0.00 175.10 173.85 1m4q s PHE 142 N 1.99 3.62 0.59 1.54 -0.71 0.34 -4.53 117.98 120.83 1m4q s PHE 142 Ca 0.15 1.21 -0.04 0.00 -1.04 0.00 0.00 56.93 57.21 1m4q s PHE 142 Cb -0.09 -2.71 0.02 0.00 -1.21 0.00 0.00 43.02 39.04 1m4q s PHE 142 CO -0.12 0.21 0.88 0.45 -1.34 0.00 0.00 175.22 175.30 1m4q s SER 143 N 0.34 5.39 0.53 1.98 0.15 -1.26 -1.80 113.70 119.02 1m4q s SER 143 Ca 0.34 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1m4q s SER 143 Cb -0.18 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 1m4q s SER 143 CO 0.17 -1.16 0.00 0.54 1.20 0.00 0.00 173.24 174.00 1m4q n ARG 144 N -2.56 -3.27 0.00 5.44 1.74 -1.18 -4.87 116.66 111.95 1m4q n ARG 144 Ca 0.05 2.60 0.08 0.00 -0.77 0.00 0.00 57.85 59.81 1m4q n ARG 144 Cb 0.59 -3.44 0.45 0.00 -1.02 0.00 0.00 32.46 29.04 1m4q n ARG 144 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76