#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q h VAL 3 N 0.00 0.71 0.00 0.00 3.04 -2.07 -1.34 116.25 116.59 1m4q h VAL 3 Ca 0.00 -0.35 -0.08 0.00 -1.01 0.00 0.00 66.70 65.26 1m4q h VAL 3 Cb 0.00 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1m4q h VAL 3 CO 0.00 0.09 -0.39 -1.28 -1.01 0.00 0.00 177.57 174.98 1m4q h SER 4 N 0.00 0.00 -0.70 3.17 0.87 -2.03 -3.29 113.55 111.57 1m4q h SER 4 Ca -0.00 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1m4q h SER 4 Cb 0.20 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 1m4q h SER 4 CO 0.01 0.39 0.28 -0.08 -0.53 0.00 0.00 176.83 176.90 1m4q h GLU 5 N 0.00 0.44 -0.66 2.24 4.81 -1.68 0.25 114.58 119.98 1m4q h GLU 5 Ca -0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1m4q h GLU 5 Cb 1.21 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1m4q h GLU 5 CO 0.05 0.29 0.42 0.77 -0.73 0.00 0.00 179.01 179.82 1m4q h SER 6 N 0.45 0.71 0.54 1.04 0.02 -1.68 -1.71 113.55 112.92 1m4q h SER 6 Ca 0.37 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1m4q h SER 6 Cb 0.50 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1m4q h SER 6 CO -0.35 0.50 -0.48 -0.61 -1.14 0.00 0.00 176.83 174.75 1m4q h GLN 7 N 0.85 0.00 -0.27 3.45 4.15 -1.33 -3.14 115.11 118.82 1m4q h GLN 7 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1m4q h GLN 7 Cb -0.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1m4q h GLN 7 CO -0.08 0.48 0.17 1.25 -1.93 0.00 0.00 178.83 178.72 1m4q h LEU 8 N 0.00 0.31 -0.48 -2.39 5.85 0.35 0.51 115.31 119.47 1m4q h LEU 8 Ca -0.00 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1m4q h LEU 8 Cb 0.88 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1m4q h LEU 8 CO 0.06 0.24 0.14 0.50 -0.34 0.00 0.00 178.44 179.03 1m4q h LYS 9 N 0.36 0.28 0.00 1.25 3.64 -1.43 0.89 116.57 121.56 1m4q h LYS 9 Ca 0.10 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1m4q h LYS 9 Cb -0.03 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1m4q h LYS 9 CO -0.02 0.19 -0.00 1.57 -2.27 0.00 0.00 179.45 178.91 1m4q h LYS 10 N 0.29 0.00 0.00 1.90 2.10 -1.55 -2.84 116.57 116.47 1m4q h LYS 10 Ca 0.23 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.86 1m4q h LYS 10 Cb 0.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1m4q h LYS 10 CO -0.27 0.00 -0.08 1.98 -2.00 0.00 0.00 179.45 179.08 1m4q h MET 11 N 0.00 0.00 0.00 0.07 4.05 0.15 -3.38 114.93 115.82 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 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1m4q h MET 11 CO 0.00 0.08 0.00 1.33 0.23 0.00 0.00 176.91 178.55 1m4q n VAL 12 N -4.36 0.00 -1.67 -5.77 0.24 -1.08 -4.94 118.33 100.75 1m4q n VAL 12 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 1m4q n VAL 12 Cb 0.16 -0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 31.83 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 -0.67 -3.84 0.00 -1.34 7.64 -1.14 -4.59 113.62 109.68 1m4q n SER 13 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1m4q n SER 13 Cb 0.00 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.73 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4q n LYS 14 N -2.16 0.00 -2.16 1.43 5.02 -1.26 -5.13 118.16 113.90 1m4q n LYS 14 Ca -0.15 -0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 55.76 1m4q n LYS 14 Cb 0.50 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1m4q s TYR 15 N 0.00 2.89 0.49 2.13 1.51 -1.26 -4.92 117.35 118.18 1m4q s TYR 15 Ca 0.00 1.54 0.17 0.00 -1.01 0.00 0.00 57.07 57.77 1m4q s TYR 15 Cb 0.00 -3.09 1.22 0.00 -0.11 0.00 0.00 41.96 39.98 1m4q s TYR 15 CO 0.00 -1.20 2.09 -0.22 -1.11 0.00 0.00 175.55 175.11 1m4q h LYS 16 N 0.78 0.00 -2.01 -0.62 3.11 -1.98 -3.21 116.57 112.64 1m4q h LYS 16 Ca -0.48 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 56.87 1m4q h LYS 16 Cb 1.23 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 32.06 1m4q h LYS 16 CO 0.57 0.08 -1.18 0.66 -2.81 0.00 0.00 179.45 176.78 1m4q n TYR 17 N -4.33 0.20 -0.19 1.91 4.01 -1.26 -4.98 117.16 112.51 1m4q n TYR 17 Ca -0.03 -3.79 -0.03 0.00 -0.16 0.00 0.00 57.90 53.89 1m4q n TYR 17 Cb 0.16 -0.41 0.04 0.00 -0.31 0.00 0.00 39.34 38.82 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 3.12 -0.07 0.32 -0.72 3.08 -1.93 0.93 114.38 119.11 1m4q h ARG 18 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1m4q h ARG 18 Cb 0.95 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1m4q h ARG 18 CO 0.50 -0.05 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.63 1m4q h ASP 19 N -0.07 -0.75 0.42 7.04 3.32 -1.93 0.84 116.42 125.29 1m4q h ASP 19 Ca 0.27 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1m4q h ASP 19 Cb 0.49 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 1m4q h ASP 19 CO -0.63 -0.42 -0.11 0.25 -1.72 0.00 0.00 179.24 176.61 1m4q h LEU 20 N -0.62 0.00 0.10 1.55 5.85 -1.78 -1.28 115.31 119.13 1m4q h LEU 20 Ca -0.02 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 1m4q h LEU 20 Cb 0.56 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.59 1m4q h LEU 20 CO -0.04 0.11 -0.88 0.74 -0.34 0.00 0.00 178.44 178.03 1m4q h THR 21 N 0.00 1.38 -0.48 1.05 2.02 0.16 -3.12 112.91 113.92 1m4q h THR 21 Ca -0.00 -2.44 -0.03 0.00 0.77 0.00 0.00 66.41 64.71 1m4q h THR 21 Cb 0.35 3.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.76 1m4q h THR 21 CO 0.01 0.67 0.20 0.58 0.37 0.00 0.00 175.52 177.35 1m4q h VAL 22 N -0.50 1.21 -0.72 3.16 2.07 0.86 -1.92 116.25 120.40 1m4q h VAL 22 Ca -0.18 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1m4q h VAL 22 Cb 1.55 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1m4q h VAL 22 CO 0.08 0.24 0.47 -0.09 0.02 0.00 0.00 177.57 178.28 1m4q h ARG 23 N 0.63 0.92 -0.53 1.57 9.65 -1.38 -1.02 114.38 124.22 1m4q h ARG 23 Ca 0.16 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1m4q h ARG 23 Cb 0.18 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 1m4q h ARG 23 CO -0.01 0.61 0.23 0.93 2.80 0.00 0.00 179.97 184.53 1m4q h GLU 24 N 0.95 0.78 0.88 0.20 5.08 -1.44 -0.91 114.58 120.12 1m4q h GLU 24 Ca 0.27 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1m4q h GLU 24 Cb -0.07 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.05 1m4q h GLU 24 CO -0.07 0.67 -0.42 1.15 -1.00 0.00 0.00 179.01 179.33 1m4q h THR 25 N 0.72 0.12 -0.68 1.13 2.02 -0.90 -2.31 112.91 113.01 1m4q h THR 25 Ca 0.18 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.43 1m4q h THR 25 Cb 0.16 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 66.62 1m4q h THR 25 CO -0.02 0.00 0.30 -0.37 0.37 0.00 0.00 175.52 175.80 1m4q h VAL 26 N -1.21 0.78 -0.99 3.16 -1.51 -1.19 -1.25 116.25 114.05 1m4q h VAL 26 Ca -0.12 -0.17 0.10 0.00 -1.23 0.00 0.00 66.70 65.28 1m4q h VAL 26 Cb 0.91 0.24 -0.08 0.00 -2.13 0.00 0.00 31.29 30.23 1m4q h VAL 26 CO 0.20 0.09 0.63 0.78 -1.23 0.00 0.00 177.57 178.04 1m4q h ASN 27 N 0.50 0.95 0.31 4.19 4.21 -1.07 1.00 115.58 125.66 1m4q h ASN 27 Ca 0.34 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 1m4q h ASN 27 Cb 0.42 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1m4q h ASN 27 CO -0.31 0.54 -0.15 0.58 -1.29 0.00 0.00 177.43 176.81 1m4q h VAL 28 N 1.04 0.73 -0.05 2.81 2.07 -0.65 -0.93 116.25 121.26 1m4q h VAL 28 Ca 0.47 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.52 1m4q h VAL 28 Cb 0.38 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1m4q h VAL 28 CO -0.22 0.07 -0.67 0.16 0.02 0.00 0.00 177.57 176.92 1m4q h ILE 29 N -0.58 1.41 0.00 4.57 3.07 -1.12 0.15 117.51 125.01 1m4q h ILE 29 Ca -0.04 -2.13 -0.08 0.00 1.55 0.00 0.00 64.86 64.16 1m4q h ILE 29 Cb 0.42 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 39.07 1m4q h ILE 29 CO 0.07 0.63 -0.40 0.74 -1.05 0.00 0.00 178.15 178.13 1m4q h THR 30 N 0.17 1.25 0.05 0.16 2.02 0.11 0.91 112.91 117.57 1m4q h THR 30 Ca -0.02 -1.39 -0.30 0.00 0.77 0.00 0.00 66.41 65.48 1m4q h THR 30 Cb 1.20 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 1m4q h THR 30 CO 0.10 0.39 -1.63 -0.11 0.37 0.00 0.00 175.52 174.64 1m4q n LEU 31 N -4.00 2.18 0.00 2.58 7.94 -0.36 -4.53 117.00 120.81 1m4q n LEU 31 Ca -0.02 0.33 -0.18 0.00 -1.11 0.00 0.00 56.01 55.03 1m4q n LEU 31 Cb 0.44 -1.01 -0.14 0.00 0.53 0.00 0.00 43.42 43.23 1m4q n LEU 31 CO 0.39 0.52 0.19 1.88 -1.11 0.00 0.00 177.39 179.26 1m4q h TYR 32 N -0.59 0.33 -0.03 1.96 0.05 -1.01 -3.48 116.97 114.22 1m4q h TYR 32 Ca -0.40 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.12 1m4q h TYR 32 Cb 1.60 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 39.32 1m4q h TYR 32 CO 0.08 1.18 -0.01 0.36 -1.05 0.00 0.00 178.16 178.72 1m4q n LYS 33 N -4.32 -0.97 -0.00 4.88 -0.00 0.32 -4.78 118.16 113.27 1m4q n LYS 33 Ca -0.12 0.28 0.01 0.00 -0.00 0.00 0.00 58.31 58.48 1m4q n LYS 33 Cb 0.68 -4.03 -0.02 0.00 -0.00 0.00 0.00 35.03 31.65 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 -0.45 4.27 -4.90 -5.58 8.00 -1.26 -5.04 116.55 111.59 1m4q n ASP 34 Ca -0.01 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1m4q n ASP 34 Cb 0.25 1.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.36 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4q s LEU 35 N -3.47 3.50 -0.16 0.64 2.01 -1.26 -3.43 118.68 116.51 1m4q s LEU 35 Ca -0.01 0.98 -0.08 0.00 0.01 0.00 0.00 54.13 55.03 1m4q s LEU 35 Cb 0.02 -3.94 0.06 0.00 0.01 0.00 0.00 46.19 42.34 1m4q s LEU 35 CO 0.13 -0.70 0.38 -0.54 1.01 0.00 0.00 176.35 176.63 1m4q s LYS 36 N -4.85 0.35 0.47 1.70 1.02 0.34 -4.76 119.74 114.00 1m4q s LYS 36 Ca 0.50 0.76 -0.21 0.00 0.02 0.00 0.00 55.97 57.04 1m4q s LYS 36 Cb -0.10 -0.01 -0.08 0.00 -0.52 0.00 0.00 37.83 37.11 1m4q s LYS 36 CO 0.47 -0.17 1.07 -1.25 -0.92 0.00 0.00 175.35 174.54 1m4q s PRO 37 N 1.51 3.82 0.02 -1.68 0.04 -1.26 -1.57 135.00 135.87 1m4q s PRO 37 Ca -0.09 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1m4q s PRO 37 Cb -0.09 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1m4q s PRO 37 CO -0.12 -0.43 -0.08 0.14 0.04 0.00 0.00 177.00 176.55 1m4q s VAL 38 N -1.83 0.57 -0.78 -0.36 -7.23 0.12 -4.93 120.40 105.96 1m4q s VAL 38 Ca 0.65 -0.64 -0.20 0.00 -1.81 0.00 0.00 61.98 59.98 1m4q s VAL 38 Cb -0.20 -0.54 0.11 0.00 0.56 0.00 0.00 36.38 36.31 1m4q s VAL 38 CO 0.24 -0.07 0.98 -0.22 -0.31 0.00 0.00 175.10 175.72 1m4q s LEU 39 N -0.79 5.03 0.57 1.32 1.98 -1.26 0.32 118.68 125.85 1m4q s LEU 39 Ca -0.02 -1.66 -0.07 0.00 -2.89 0.00 0.00 54.13 49.49 1m4q s LEU 39 Cb -0.06 -2.37 -0.01 0.00 0.66 0.00 0.00 46.19 44.41 1m4q s LEU 39 CO 0.00 -1.15 0.89 -1.81 -1.89 0.00 0.00 176.35 172.39 1m4q s ASP 40 N 3.56 5.88 -0.31 3.68 1.11 0.46 -4.91 116.67 126.15 1m4q s ASP 40 Ca 0.25 0.90 0.02 0.00 0.18 0.00 0.00 52.55 53.90 1m4q s ASP 40 Cb -0.12 -2.00 0.19 0.00 1.07 0.00 0.00 42.92 42.06 1m4q s ASP 40 CO -0.01 -0.90 0.71 -0.55 1.18 0.00 0.00 175.17 175.60 1m4q s SER 41 N -4.23 -1.31 0.17 0.27 0.15 -1.26 -0.73 113.70 106.77 1m4q s SER 41 Ca 0.52 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 57.20 1m4q s SER 41 Cb -0.11 1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 65.97 1m4q s SER 41 CO 0.47 -0.23 0.12 -0.47 1.20 0.00 0.00 173.24 174.32 1m4q s TYR 42 N 2.73 1.01 0.29 3.44 5.04 -1.18 -4.79 117.35 123.88 1m4q s TYR 42 Ca 0.15 -1.29 -0.17 0.00 -2.44 0.00 0.00 57.07 53.31 1m4q s TYR 42 Cb -0.07 -0.50 -0.09 0.00 0.35 0.00 0.00 41.96 41.65 1m4q s TYR 42 CO -0.23 -0.61 0.74 0.14 -1.34 0.00 0.00 175.55 174.26 1m4q s VAL 43 N -4.11 4.62 0.10 3.14 -7.23 -1.26 -0.91 120.40 114.74 1m4q s VAL 43 Ca 0.33 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.61 1m4q s VAL 43 Cb 0.07 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1m4q s VAL 43 CO 0.08 -0.04 0.00 0.49 -0.31 0.00 0.00 175.10 175.32 1m4q n PHE 44 N 0.05 -1.49 -1.52 2.82 3.72 -1.19 -4.73 117.46 115.13 1m4q n PHE 44 Ca 0.01 0.24 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1m4q n PHE 44 Cb 0.52 0.84 -0.10 0.00 -0.94 0.00 0.00 39.48 39.81 1m4q n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1m4q n ASN 45 N -2.79 1.09 -1.81 4.37 2.85 -1.26 -3.02 115.26 114.70 1m4q n ASN 45 Ca 0.00 -1.93 -0.13 0.00 -0.11 0.00 0.00 54.58 52.41 1m4q n ASN 45 Cb 0.00 -1.56 -0.03 0.00 1.24 0.00 0.00 39.78 39.43 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1m4q n ASP 46 N 17.62 -3.58 -0.09 1.20 9.92 -1.26 -3.59 116.55 136.77 1m4q n ASP 46 Ca 0.42 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1m4q n ASP 46 Cb 0.44 -3.22 0.00 0.00 -0.64 0.00 0.00 41.12 37.69 1m4q n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m4q n GLY 47 N -0.47 0.66 3.02 0.44 0.00 -1.17 -5.12 105.19 102.55 1m4q n GLY 47 Ca -0.14 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.59 -0.50 0.21 1.61 0.01 -1.24 -4.85 113.70 108.35 1m4q s SER 48 Ca 0.00 -0.26 -0.32 0.00 1.31 0.00 0.00 55.95 56.68 1m4q s SER 48 Cb 0.00 1.50 -0.14 0.00 0.21 0.00 0.00 66.02 67.60 1m4q s SER 48 CO 0.00 -0.31 1.49 -0.24 0.41 0.00 0.00 173.24 174.59 1m4q n SER 49 N 5.25 2.96 -3.86 2.44 2.88 -1.26 -3.17 113.62 118.86 1m4q n SER 49 Ca 0.04 1.12 -0.15 0.00 -1.33 0.00 0.00 58.87 58.54 1m4q n SER 49 Cb 0.52 -1.44 -0.15 0.00 -0.75 0.00 0.00 64.21 62.39 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1m4q s ARG 50 N 0.17 0.22 -0.35 -1.46 3.52 -0.09 -4.87 118.95 116.08 1m4q s ARG 50 Ca 0.73 0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 56.04 1m4q s ARG 50 Cb -0.66 -0.31 0.02 0.00 -1.56 0.00 0.00 34.95 32.44 1m4q s ARG 50 CO 0.44 -0.04 1.15 -2.00 -0.81 0.00 0.00 175.30 174.05 1m4q s GLU 51 N 0.46 3.94 -0.09 5.12 2.12 -1.26 -3.10 118.70 125.89 1m4q s GLU 51 Ca -0.04 0.99 -0.08 0.00 0.36 0.00 0.00 54.97 56.21 1m4q s GLU 51 Cb -0.07 -3.82 0.02 0.00 0.26 0.00 0.00 34.13 30.53 1m4q s GLU 51 CO -0.01 -1.08 0.23 -0.48 -0.54 0.00 0.00 175.26 173.38 1m4q s LEU 52 N 4.06 1.06 0.59 2.70 -0.00 0.09 -4.98 118.68 122.19 1m4q s LEU 52 Ca 0.49 0.46 -0.13 0.00 -0.00 0.00 0.00 54.13 54.95 1m4q s LEU 52 Cb -0.12 0.77 -0.05 0.00 -0.00 0.00 0.00 46.19 46.79 1m4q s LEU 52 CO 0.21 -0.09 1.02 -0.32 -0.00 0.00 0.00 176.35 177.18 1m4q s MET 53 N 0.24 3.64 0.08 1.48 1.75 -1.21 -0.40 119.30 124.87 1m4q s MET 53 Ca -0.01 0.86 -0.04 0.00 -1.25 0.00 0.00 55.69 55.25 1m4q s MET 53 Cb -0.03 -2.09 -0.03 0.00 2.84 0.00 0.00 34.83 35.53 1m4q s MET 53 CO -0.01 -0.54 0.07 -0.80 -0.65 0.00 0.00 175.02 173.10 1m4q s ASN 54 N -3.72 0.32 -0.19 1.11 0.01 0.15 -0.52 114.94 112.11 1m4q s ASN 54 Ca 0.57 -0.89 -0.07 0.00 -0.71 0.00 0.00 52.86 51.76 1m4q s ASN 54 Cb -0.11 0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.78 1m4q s ASN 54 CO 0.46 -0.67 0.06 -0.76 -1.51 0.00 0.00 177.10 174.68 1m4q s LEU 55 N -2.91 3.77 0.05 0.60 2.01 0.97 0.14 118.68 123.30 1m4q s LEU 55 Ca 0.08 0.05 -0.06 0.00 0.01 0.00 0.00 54.13 54.22 1m4q s LEU 55 Cb 0.07 -1.95 -0.01 0.00 0.01 0.00 0.00 46.19 44.30 1m4q s LEU 55 CO -0.09 0.16 0.10 0.28 1.01 0.00 0.00 176.35 177.81 1m4q s THR 56 N 0.45 0.15 -2.49 5.49 -1.32 -0.61 -0.43 115.64 116.88 1m4q s THR 56 Ca 0.03 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 1m4q s THR 56 Cb -0.13 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1m4q s THR 56 CO 0.01 -0.67 0.00 0.61 -2.21 0.00 0.00 174.62 172.36 1m4q n GLY 57 N 0.49 -0.13 2.97 6.08 0.00 -1.21 0.13 105.19 113.53 1m4q n GLY 57 Ca -0.17 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.00 -0.49 0.12 2.61 -4.23 -1.22 -2.46 115.64 105.97 1m4q s THR 58 Ca 0.00 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 1m4q s THR 58 Cb 0.00 -0.63 -0.06 0.00 1.34 0.00 0.00 72.50 73.15 1m4q s THR 58 CO 0.00 -0.02 0.43 0.27 -0.54 0.00 0.00 174.62 174.76 1m4q s ILE 59 N 2.47 5.06 -0.17 2.99 -4.36 -0.45 -4.65 121.20 122.09 1m4q s ILE 59 Ca 0.05 0.41 -0.29 0.00 -0.26 0.00 0.00 60.65 60.56 1m4q s ILE 59 Cb -0.14 -3.65 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 1m4q s ILE 59 CO -0.12 0.18 1.61 -2.16 0.24 0.00 0.00 174.94 174.69 1m4q s PRO 60 N -2.21 3.91 -0.33 0.37 0.04 -1.26 -1.70 135.00 133.83 1m4q s PRO 60 Ca 0.37 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 1m4q s PRO 60 Cb -0.13 -4.01 0.05 0.00 0.04 0.00 0.00 34.50 30.45 1m4q s PRO 60 CO 0.20 -1.15 0.06 0.08 0.04 0.00 0.00 177.00 176.23 1m4q s VAL 61 N 4.84 3.32 0.46 -0.36 1.01 0.11 -4.93 120.40 124.85 1m4q s VAL 61 Ca 0.71 -1.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1m4q s VAL 61 Cb -0.27 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 1m4q s VAL 61 CO 0.28 -0.21 1.04 -2.16 0.00 0.00 0.00 175.10 174.05 1m4q s PRO 62 N 1.30 3.92 -0.14 2.72 0.04 -1.26 0.07 135.00 141.65 1m4q s PRO 62 Ca -0.02 1.39 0.14 0.00 0.04 0.00 0.00 61.00 62.56 1m4q s PRO 62 Cb -0.20 -2.22 0.35 0.00 0.04 0.00 0.00 34.50 32.46 1m4q s PRO 62 CO -0.00 -0.33 1.17 0.98 0.04 0.00 0.00 177.00 178.86 1m4q n TYR 63 N -0.70 0.00 0.00 0.56 9.36 0.05 -4.29 117.16 122.13 1m4q n TYR 63 Ca 0.08 -1.10 0.00 0.00 3.32 0.00 0.00 57.90 60.20 1m4q n TYR 63 Cb 0.52 -0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 1m4q n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4q n ARG 64 N -0.93 0.00 0.00 2.98 1.74 -1.26 -4.41 116.66 114.78 1m4q n ARG 64 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1m4q n ARG 64 Cb 0.73 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.17 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4q n GLY 65 N 0.00 0.00 0.00 -0.13 0.00 -1.26 -5.10 105.19 98.70 1m4q n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.64 0.00 -3.43 1.61 4.13 -1.26 -5.17 115.26 109.49 1m4q n ASN 66 Ca 0.00 -0.32 -0.01 0.00 1.68 0.00 0.00 54.58 55.93 1m4q n ASN 66 Cb 0.15 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.35 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 -1.34 -0.89 0.40 3.41 2.01 -1.26 -0.77 115.64 117.19 1m4q s THR 67 Ca 0.00 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1m4q s THR 67 Cb 0.00 -0.92 0.07 0.00 0.01 0.00 0.00 72.50 71.66 1m4q s THR 67 CO 0.00 -0.01 0.54 -1.22 -0.69 0.00 0.00 174.62 173.25 1m4q n TYR 68 N 5.42 -2.81 -3.88 4.92 4.02 0.11 -4.78 117.16 120.16 1m4q n TYR 68 Ca -0.06 -1.20 -0.30 0.00 -0.01 0.00 0.00 57.90 56.33 1m4q n TYR 68 Cb 0.50 -0.39 -0.14 0.00 -0.02 0.00 0.00 39.34 39.29 1m4q n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4q s ASN 69 N -3.33 4.15 0.14 7.72 0.01 -1.26 0.09 114.94 122.46 1m4q s ASN 69 Ca 0.39 -2.77 -0.30 0.00 -0.71 0.00 0.00 52.86 49.47 1m4q s ASN 69 Cb -0.03 -1.43 -0.07 0.00 0.41 0.00 0.00 41.25 40.13 1m4q s ASN 69 CO 0.25 -0.26 1.20 -0.51 -1.51 0.00 0.00 177.10 176.27 1m4q s ILE 70 N 0.08 3.73 0.58 0.60 1.10 -0.69 -4.72 121.20 121.89 1m4q s ILE 70 Ca 0.16 1.37 -0.15 0.00 -0.51 0.00 0.00 60.65 61.52 1m4q s ILE 70 Cb -0.25 -3.87 -0.05 0.00 0.15 0.00 0.00 42.46 38.44 1m4q s ILE 70 CO -0.02 0.18 1.02 -2.16 -2.11 0.00 0.00 174.94 171.86 1m4q s PRO 71 N 0.26 3.57 0.05 3.50 0.04 -1.26 -1.34 135.00 139.82 1m4q s PRO 71 Ca 0.55 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 1m4q s PRO 71 Cb -0.32 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1m4q s PRO 71 CO 0.34 -0.59 0.04 0.42 0.04 0.00 0.00 177.00 177.24 1m4q s ILE 72 N -2.69 0.17 -0.42 0.56 -1.09 -1.03 -4.36 121.20 112.34 1m4q s ILE 72 Ca 0.60 -1.42 0.07 0.00 -2.23 0.00 0.00 60.65 57.66 1m4q s ILE 72 Cb -0.13 -1.18 0.18 0.00 -1.58 0.00 0.00 42.46 39.75 1m4q s ILE 72 CO 0.39 -0.78 0.58 0.00 -1.23 0.00 0.00 174.94 173.90 1m4q s LEU 74 N 1.47 3.99 -0.36 0.00 1.98 0.43 -3.44 118.68 122.75 1m4q s LEU 74 Ca 0.20 0.08 -0.29 0.00 -2.89 0.00 0.00 54.13 51.23 1m4q s LEU 74 Cb -0.05 -2.06 0.02 0.00 0.66 0.00 0.00 46.19 44.76 1m4q s LEU 74 CO -0.06 0.09 1.13 0.26 -1.89 0.00 0.00 176.35 175.88 1m4q s TRP 75 N 0.92 2.98 -1.02 5.38 0.52 -1.22 -0.02 118.94 126.47 1m4q s TRP 75 Ca 0.06 1.01 -0.13 0.00 0.02 0.00 0.00 56.10 57.07 1m4q s TRP 75 Cb -0.13 -3.93 0.23 0.00 -1.15 0.00 0.00 33.47 28.48 1m4q s TRP 75 CO 0.03 -1.07 1.06 -1.17 0.02 0.00 0.00 176.95 175.82 1m4q s LEU 76 N 4.01 6.12 1.15 2.99 2.96 0.33 -4.63 118.68 131.61 1m4q s LEU 76 Ca 0.48 -3.04 -0.18 0.00 -0.22 0.00 0.00 54.13 51.17 1m4q s LEU 76 Cb -0.12 -2.26 0.27 0.00 0.50 0.00 0.00 46.19 44.58 1m4q s LEU 76 CO 0.21 -0.54 1.15 -0.76 -1.32 0.00 0.00 176.35 175.09 1m4q s LEU 77 N 0.09 1.11 0.16 -0.68 2.01 -1.26 -3.36 118.68 116.74 1m4q s LEU 77 Ca 0.29 0.59 -0.14 0.00 0.01 0.00 0.00 54.13 54.88 1m4q s LEU 77 Cb -0.08 -2.40 0.05 0.00 0.01 0.00 0.00 46.19 43.77 1m4q s LEU 77 CO -0.07 -3.82 1.76 0.44 1.01 0.00 0.00 176.35 175.67 1m4q h ASP 78 N -2.38 0.65 0.00 2.29 3.32 -1.94 -3.45 116.42 114.92 1m4q h ASP 78 Ca -0.45 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1m4q h ASP 78 Cb 1.28 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1m4q h ASP 78 CO 0.36 0.57 0.00 1.07 -1.72 0.00 0.00 179.24 179.52 1m4q n THR 79 N -4.63 0.00 -3.64 0.35 5.66 -1.26 -4.19 114.28 106.58 1m4q n THR 79 Ca 0.02 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.96 1m4q n THR 79 Cb 0.10 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.81 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 0.00 -0.26 0.00 1.09 5.04 -1.26 -4.86 117.35 117.10 1m4q s TYR 80 Ca 0.00 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1m4q s TYR 80 Cb 0.00 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.74 1m4q s TYR 80 CO 0.00 -0.15 0.27 -0.35 -1.34 0.00 0.00 175.55 173.98 1m4q n PRO 81 N 1.65 0.00 -0.03 4.97 -0.04 -1.26 -4.52 135.00 135.76 1m4q n PRO 81 Ca -0.10 0.48 -0.02 0.00 -0.04 0.00 0.00 63.50 63.82 1m4q n PRO 81 Cb 0.57 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.91 1m4q n PRO 81 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1m4q h TYR 82 N 0.00 0.00 0.00 0.54 5.03 -2.01 -3.50 116.97 117.04 1m4q h TYR 82 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1m4q h TYR 82 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1m4q h TYR 82 CO 0.06 0.00 0.00 -1.71 -1.32 0.00 0.00 178.16 175.19 1m4q n ASN 83 N -3.50 -1.18 -4.60 -2.11 5.15 -1.26 -5.03 115.26 102.72 1m4q n ASN 83 Ca -0.02 0.33 -0.43 0.00 -0.60 0.00 0.00 54.58 53.85 1m4q n ASN 83 Cb 0.09 1.31 -0.02 0.00 -0.53 0.00 0.00 39.78 40.64 1m4q n ASN 83 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1m4q s PRO 84 N -1.41 3.68 0.00 1.20 0.04 -1.26 -4.72 135.00 132.52 1m4q s PRO 84 Ca 0.00 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1m4q s PRO 84 Cb 0.00 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1m4q s PRO 84 CO 0.00 -1.44 0.00 -0.35 0.04 0.00 0.00 177.00 175.25 1m4q n PRO 85 N 7.89 2.50 -1.72 0.56 -0.04 -1.26 -4.76 135.00 138.17 1m4q n PRO 85 Ca 0.14 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 1m4q n PRO 85 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.96 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 2.65 -3.73 0.52 5.41 -1.26 -4.95 119.36 118.00 1m4q n ILE 86 Ca 0.00 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 1m4q n ILE 86 Cb 0.00 -1.67 -0.15 0.00 -0.71 0.00 0.00 39.64 37.11 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 1.44 0.33 -0.06 0.00 -0.12 -1.22 -1.55 117.98 116.79 1m4q s PHE 88 Ca -0.06 -0.68 -0.12 0.00 -0.05 0.00 0.00 56.93 56.01 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 -0.06 -0.81 0.31 0.54 -0.05 0.00 0.00 175.22 175.15 1m4q s VAL 89 N -3.97 5.21 -1.03 -2.49 0.11 0.13 -2.59 120.40 115.77 1m4q s VAL 89 Ca 0.18 0.62 -0.07 0.00 -2.93 0.00 0.00 61.98 59.77 1m4q s VAL 89 Cb 0.02 -3.61 0.26 0.00 -1.53 0.00 0.00 36.38 31.52 1m4q s VAL 89 CO 0.02 0.57 1.00 -1.59 -3.33 0.00 0.00 175.10 171.76 1m4q s LYS 90 N -0.88 3.90 0.41 1.54 -2.85 -1.26 -4.69 119.74 115.91 1m4q s LYS 90 Ca 0.20 -3.21 -0.25 0.00 -1.00 0.00 0.00 55.97 51.71 1m4q s LYS 90 Cb -0.15 -4.37 -0.08 0.00 -2.06 0.00 0.00 37.83 31.17 1m4q s LYS 90 CO 0.09 -1.25 1.21 -1.25 0.10 0.00 0.00 175.35 174.26 1m4q s PRO 91 N -1.24 3.98 0.82 1.78 0.04 -1.26 -4.75 135.00 134.37 1m4q s PRO 91 Ca 0.29 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1m4q s PRO 91 Cb -0.09 -2.67 0.08 0.00 0.04 0.00 0.00 34.50 31.86 1m4q s PRO 91 CO -0.09 -0.42 1.13 0.95 0.04 0.00 0.00 177.00 178.61 1m4q s THR 92 N -1.37 2.55 0.41 1.26 -4.23 -1.26 -4.86 115.64 108.14 1m4q s THR 92 Ca 0.58 0.18 0.14 0.00 -1.18 0.00 0.00 61.69 61.41 1m4q s THR 92 Cb -0.33 -3.04 0.35 0.00 1.34 0.00 0.00 72.50 70.82 1m4q s THR 92 CO 0.42 -0.23 1.91 -1.28 -0.54 0.00 0.00 174.62 174.90 1m4q h SER 93 N -1.13 0.45 -0.26 3.99 0.87 -2.06 0.29 113.55 115.70 1m4q h SER 93 Ca -0.47 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1m4q h SER 93 Cb 1.30 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1m4q h SER 93 CO 0.63 0.23 0.00 -0.24 -0.53 0.00 0.00 176.83 176.92 1m4q n SER 94 N -4.49 1.86 -4.95 6.23 2.88 -1.26 -4.91 113.62 108.98 1m4q n SER 94 Ca 0.15 -1.83 -0.23 0.00 -1.33 0.00 0.00 58.87 55.62 1m4q n SER 94 Cb 0.50 -0.17 0.04 0.00 -0.75 0.00 0.00 64.21 63.83 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1m4q s MET 95 N -1.67 2.66 -0.12 -1.46 0.00 0.10 -3.00 119.30 115.82 1m4q s MET 95 Ca 0.30 -0.47 -0.03 0.00 0.00 0.00 0.00 55.69 55.49 1m4q s MET 95 Cb 0.16 -2.40 0.04 0.00 0.00 0.00 0.00 34.83 32.63 1m4q s MET 95 CO 0.23 -0.72 0.05 0.99 0.00 0.00 0.00 175.02 175.57 1m4q s THR 96 N -2.85 0.17 0.69 10.11 2.01 -1.13 -4.85 115.64 119.79 1m4q s THR 96 Ca 0.55 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 1m4q s THR 96 Cb -0.10 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1m4q s THR 96 CO 0.41 -0.00 1.11 -0.63 -0.69 0.00 0.00 174.62 174.81 1m4q s ILE 97 N 2.04 3.26 -0.14 1.82 1.01 -1.26 -1.94 121.20 125.98 1m4q s ILE 97 Ca 0.03 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 1m4q s ILE 97 Cb -0.14 -3.05 0.05 0.00 0.01 0.00 0.00 42.46 39.33 1m4q s ILE 97 CO -0.06 -0.41 0.05 -0.75 0.00 0.00 0.00 174.94 173.77 1m4q s LYS 98 N -4.31 0.32 1.06 2.79 2.20 -0.83 -4.86 119.74 116.10 1m4q s LYS 98 Ca 0.65 -0.09 -0.14 0.00 -0.36 0.00 0.00 55.97 56.04 1m4q s LYS 98 Cb -0.20 -1.58 0.22 0.00 -1.51 0.00 0.00 37.83 34.76 1m4q s LYS 98 CO 0.45 -0.55 1.10 0.95 -0.36 0.00 0.00 175.35 176.94 1m4q s THR 99 N 2.03 1.91 0.00 3.43 -4.23 -1.26 -4.69 115.64 112.83 1m4q s THR 99 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1m4q s THR 99 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1m4q s THR 99 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1m4q n GLY 100 N -1.04 0.49 0.34 3.99 0.00 -0.92 -4.80 105.19 103.25 1m4q n GLY 100 Ca 0.07 -1.70 0.18 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.01 1.61 2.10 -1.96 0.22 116.57 118.53 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1m4q h LYS 101 CO 0.00 0.00 -0.42 0.72 -2.00 0.00 0.00 179.45 177.75 1m4q n HIS 102 N -3.15 0.00 -3.62 0.07 8.25 -1.26 -4.59 115.22 110.92 1m4q n HIS 102 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1m4q n HIS 102 Cb 0.31 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.55 0.04 -0.08 1.59 1.01 0.77 -2.93 120.40 118.25 1m4q s VAL 103 Ca 0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1m4q s VAL 103 Cb 0.18 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1m4q s VAL 103 CO 0.58 -0.19 -0.08 0.44 0.00 0.00 0.00 175.10 175.85 1m4q h ASP 104 N 2.97 0.00 0.00 3.32 3.32 -1.70 -2.44 116.42 121.89 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 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1m4q h ASP 104 CO 0.42 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 1m4q n ALA 105 N -2.91 0.00 0.01 3.45 0.00 -1.26 -4.62 120.51 115.18 1m4q n ALA 105 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1m4q n ALA 105 Cb 0.11 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.84 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 3.42 0.00 0.00 5.03 -1.26 -4.88 115.26 117.56 1m4q n ASN 106 Ca 0.00 -2.09 0.00 0.00 0.87 0.00 0.00 54.58 53.36 1m4q n ASN 106 Cb 0.00 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.33 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 1.35 0.63 3.75 7.41 0.00 -1.26 -4.80 105.19 112.27 1m4q n GLY 107 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1m4q n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4q s LYS 108 N -0.89 4.42 -0.18 1.61 1.02 -1.26 -0.69 119.74 123.76 1m4q s LYS 108 Ca 0.00 2.05 -0.28 0.00 0.02 0.00 0.00 55.97 57.76 1m4q s LYS 108 Cb 0.00 -3.17 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1m4q s LYS 108 CO 0.00 -0.17 0.97 0.42 -0.92 0.00 0.00 175.35 175.65 1m4q s ILE 109 N -0.33 4.76 -0.39 2.17 1.01 -0.60 -2.69 121.20 125.13 1m4q s ILE 109 Ca 0.53 1.92 0.06 0.00 0.00 0.00 0.00 60.65 63.16 1m4q s ILE 109 Cb -0.36 -4.26 0.63 0.00 0.01 0.00 0.00 42.46 38.47 1m4q s ILE 109 CO 0.42 -0.08 1.78 0.00 0.00 0.00 0.00 174.94 177.06 1m4q n TYR 110 N 5.69 2.45 -2.89 3.97 9.36 -1.15 -4.95 117.16 129.64 1m4q n TYR 110 Ca 0.09 -1.73 -0.34 0.00 3.32 0.00 0.00 57.90 59.24 1m4q n TYR 110 Cb 0.47 -0.80 -0.07 0.00 -0.63 0.00 0.00 39.34 38.32 1m4q n TYR 110 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1m4q s LEU 111 N -3.26 4.08 -0.02 2.98 2.01 -1.26 -4.75 118.68 118.46 1m4q s LEU 111 Ca 0.53 1.63 0.04 0.00 0.01 0.00 0.00 54.13 56.35 1m4q s LEU 111 Cb 0.46 -4.27 0.16 0.00 0.01 0.00 0.00 46.19 42.54 1m4q s LEU 111 CO 0.08 -0.24 0.96 -0.81 1.01 0.00 0.00 176.35 177.35 1m4q n PRO 112 N -0.21 1.58 -0.21 1.29 -0.04 -1.26 -4.26 135.00 131.88 1m4q n PRO 112 Ca 0.05 -0.62 -0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1m4q n PRO 112 Cb 0.53 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.72 1m4q n PRO 112 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1m4q h TYR 113 N 0.89 0.50 -0.03 0.54 -0.00 -1.97 0.85 116.97 117.76 1m4q h TYR 113 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 58.73 58.73 1m4q h TYR 113 Cb 0.49 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.09 1m4q h TYR 113 CO 0.17 0.18 -0.09 1.25 -0.00 0.00 0.00 178.16 179.66 1m4q h LEU 114 N 0.50 0.13 -1.75 0.10 6.46 -1.88 0.84 115.31 119.72 1m4q h LEU 114 Ca 0.31 -0.62 -0.03 0.00 -0.12 0.00 0.00 57.88 57.42 1m4q h LEU 114 Cb 0.32 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1m4q h LEU 114 CO -0.26 0.73 -0.14 -0.74 -0.62 0.00 0.00 178.44 177.41 1m4q h HIS 115 N -0.45 0.00 0.00 1.25 2.76 -1.76 -3.33 115.15 113.61 1m4q h HIS 115 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1m4q h HIS 115 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1m4q h HIS 115 CO 0.14 0.14 -0.24 -1.91 -1.30 0.00 0.00 177.93 174.75 1m4q n GLU 116 N -4.31 0.16 0.00 5.26 2.13 0.29 -5.00 120.64 119.18 1m4q n GLU 116 Ca -0.03 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1m4q n GLU 116 Cb 0.21 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 30.97 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 -3.09 0.00 -2.52 4.31 -0.00 0.29 -4.84 117.44 111.59 1m4q n TRP 117 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.40 1m4q n TRP 117 Cb 0.13 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.47 1m4q n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4q n LYS 118 N 0.00 -2.40 0.02 5.87 4.81 -1.25 -4.82 118.16 120.39 1m4q n LYS 118 Ca 0.00 0.33 -0.15 0.00 -0.87 0.00 0.00 58.31 57.62 1m4q n LYS 118 Cb 0.00 -3.74 -0.05 0.00 0.02 0.00 0.00 35.03 31.26 1m4q n LYS 118 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1m4q h HIS 119 N -0.70 0.86 0.30 5.64 3.86 -1.94 -3.47 115.15 119.70 1m4q h HIS 119 Ca -0.23 -0.41 -0.01 0.00 -1.16 0.00 0.00 60.37 58.55 1m4q h HIS 119 Cb 1.13 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1m4q h HIS 119 CO 0.17 1.23 -0.14 -1.35 0.86 0.00 0.00 177.93 178.69 1m4q h PRO 120 N 0.40 -0.39 0.00 2.45 0.11 -1.98 -3.50 132.00 129.08 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 1.47 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.66 1m4q h PRO 120 CO 0.16 -0.06 0.00 0.94 -0.21 0.00 0.00 178.00 178.83 1m4q n GLN 121 N -5.06 0.00 -2.91 1.05 7.27 -1.26 -4.88 117.38 111.58 1m4q n GLN 121 Ca -0.08 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.67 1m4q n GLN 121 Cb 0.26 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.85 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1m4q s SER 122 N 0.00 6.78 0.59 1.69 0.15 -1.26 -5.09 113.70 116.56 1m4q s SER 122 Ca 0.00 1.43 0.09 0.00 0.70 0.00 0.00 55.95 58.17 1m4q s SER 122 Cb 0.00 -2.44 0.09 0.00 -1.71 0.00 0.00 66.02 61.97 1m4q s SER 122 CO 0.00 -0.33 0.78 -0.67 1.20 0.00 0.00 173.24 174.22 1m4q n ASP 123 N -0.73 2.22 0.03 5.45 2.03 -1.26 -4.94 116.55 119.36 1m4q n ASP 123 Ca 0.05 -2.61 0.22 0.00 0.52 0.00 0.00 54.79 52.96 1m4q n ASP 123 Cb 0.54 -0.40 0.73 0.00 -0.72 0.00 0.00 41.12 41.27 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 0.00 0.04 -2.67 5.85 -1.98 -1.17 115.31 115.37 1m4q h LEU 124 Ca -0.29 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1m4q h LEU 124 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1m4q h LEU 124 CO 0.41 0.00 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.43 1m4q h LEU 125 N 0.00 -0.04 -1.97 2.25 4.07 -1.93 -3.10 115.31 114.58 1m4q h LEU 125 Ca 0.24 -0.39 0.02 0.00 0.08 0.00 0.00 57.88 57.84 1m4q h LEU 125 Cb 1.14 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 1m4q h LEU 125 CO -0.00 0.38 0.08 1.23 -1.08 0.00 0.00 178.44 179.04 1m4q h GLY 126 N -0.46 0.04 0.45 0.83 0.00 -1.59 -2.46 103.07 99.88 1m4q h GLY 126 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1m4q h GLY 126 CO 0.01 0.01 -0.30 -2.00 0.00 0.00 0.00 176.54 174.27 1m4q h LEU 127 N 0.04 -0.75 -1.96 3.11 6.46 -1.40 -2.42 115.31 118.38 1m4q h LEU 127 Ca 0.05 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.92 1m4q h LEU 127 Cb 0.15 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1m4q h LEU 127 CO -0.00 -0.44 0.19 0.40 -0.62 0.00 0.00 178.44 177.96 1m4q h ILE 128 N -0.71 0.90 -0.66 4.05 5.03 -1.55 -1.73 117.51 122.84 1m4q h ILE 128 Ca -0.06 -0.02 0.05 0.00 -0.12 0.00 0.00 64.86 64.71 1m4q h ILE 128 Cb 0.57 0.84 -0.05 0.00 -3.03 0.00 0.00 36.82 35.15 1m4q h ILE 128 CO 0.05 0.01 0.38 -0.61 -0.68 0.00 0.00 178.15 177.30 1m4q h GLN 129 N 0.05 0.70 -0.13 2.37 4.15 -1.08 0.12 115.11 121.29 1m4q h GLN 129 Ca 0.12 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1m4q h GLN 129 Cb 0.42 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1m4q h GLN 129 CO -0.01 0.46 0.04 0.28 -1.93 0.00 0.00 178.83 177.67 1m4q h VAL 130 N 0.72 1.19 -0.45 2.39 2.07 -0.84 -0.36 116.25 120.96 1m4q h VAL 130 Ca 0.29 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1m4q h VAL 130 Cb 0.14 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1m4q h VAL 130 CO -0.16 0.17 0.30 -0.03 0.02 0.00 0.00 177.57 177.88 1m4q h MET 131 N 0.03 0.45 -0.37 1.57 1.85 -1.33 0.79 114.93 117.92 1m4q h MET 131 Ca 0.04 -0.03 -0.17 0.00 -0.61 0.00 0.00 59.70 58.94 1m4q h MET 131 Cb 0.24 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.16 1m4q h MET 131 CO -0.00 0.30 -0.42 0.82 -0.40 0.00 0.00 176.91 177.20 1m4q h ILE 132 N 0.46 1.27 0.15 1.77 2.04 -0.32 0.46 117.51 123.34 1m4q h ILE 132 Ca 0.19 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 1m4q h ILE 132 Cb 0.17 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1m4q h ILE 132 CO -0.05 0.53 -0.07 0.58 0.00 0.00 0.00 178.15 179.15 1m4q h VAL 133 N 0.75 1.00 0.15 1.67 2.07 0.17 -1.47 116.25 120.59 1m4q h VAL 133 Ca 0.05 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1m4q h VAL 133 Cb 1.03 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1m4q h VAL 133 CO 0.10 0.17 -0.07 0.58 0.02 0.00 0.00 177.57 178.37 1m4q h VAL 134 N -0.56 0.86 0.00 2.57 2.07 -0.94 -1.80 116.25 118.45 1m4q h VAL 134 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1m4q h VAL 134 Cb 0.43 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1m4q h VAL 134 CO 0.03 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.12 1m4q n PHE 135 N -5.17 0.00 1.50 1.57 3.01 0.15 -2.94 117.46 115.58 1m4q n PHE 135 Ca -0.08 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.51 1m4q n PHE 135 Cb 0.11 -0.02 0.75 0.00 -0.01 0.00 0.00 39.48 40.31 1m4q n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m4q n GLY 136 N 0.05 -0.98 0.70 1.37 0.00 -0.55 -4.21 105.19 101.56 1m4q n GLY 136 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1m4q n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m4q n ASP 137 N -1.12 0.00 -4.56 1.61 -0.08 -1.15 -4.25 116.55 106.99 1m4q n ASP 137 Ca 0.17 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.03 1m4q n ASP 137 Cb 0.14 0.02 -0.06 0.00 2.34 0.00 0.00 41.12 43.56 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1m4q s GLU 138 N -1.35 3.59 -0.33 -0.67 -1.05 -1.15 -5.02 118.70 112.73 1m4q s GLU 138 Ca 0.00 0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.62 1m4q s GLU 138 Cb 0.00 -3.86 -0.01 0.00 -0.44 0.00 0.00 34.13 29.82 1m4q s GLU 138 CO 0.00 -0.93 1.72 -1.25 0.95 0.00 0.00 175.26 175.75 1m4q s PRO 139 N 3.07 3.42 0.18 -4.83 0.04 -1.26 -4.48 135.00 131.14 1m4q s PRO 139 Ca 0.29 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1m4q s PRO 139 Cb -0.13 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 30.28 1m4q s PRO 139 CO 0.19 -1.75 1.40 -1.00 0.04 0.00 0.00 177.00 175.88 1m4q h PRO 140 N 12.30 0.17 -1.34 0.56 0.13 -1.91 -3.43 132.00 138.49 1m4q h PRO 140 Ca -0.33 -0.18 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 1m4q h PRO 140 Cb 1.16 0.05 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1m4q h PRO 140 CO 1.04 0.91 -0.49 0.54 -0.23 0.00 0.00 178.00 179.77 1m4q s VAL 141 N -3.25 -0.79 -0.13 1.56 0.11 -1.26 -1.97 120.40 114.67 1m4q s VAL 141 Ca -0.03 -0.24 -0.22 0.00 -2.93 0.00 0.00 61.98 58.56 1m4q s VAL 141 Cb 0.10 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1m4q s VAL 141 CO 0.82 -0.17 0.66 0.72 -3.33 0.00 0.00 175.10 173.79 1m4q s PHE 142 N 2.22 3.48 0.48 1.54 -0.71 -0.82 -4.63 117.98 119.55 1m4q s PHE 142 Ca 0.13 1.09 -0.02 0.00 -1.04 0.00 0.00 56.93 57.09 1m4q s PHE 142 Cb -0.10 -2.79 -0.01 0.00 -1.21 0.00 0.00 43.02 38.92 1m4q s PHE 142 CO -0.17 -0.03 0.74 0.45 -1.34 0.00 0.00 175.22 174.87 1m4q s SER 143 N 0.95 5.86 -0.30 1.98 0.15 -1.26 -2.82 113.70 118.26 1m4q s SER 143 Ca 0.33 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 1m4q s SER 143 Cb -0.17 -1.72 0.19 0.00 -1.71 0.00 0.00 66.02 62.62 1m4q s SER 143 CO 0.14 -0.75 0.70 -0.13 1.20 0.00 0.00 173.24 174.40 1m4q s ARG 144 N -4.68 0.47 0.00 5.44 0.52 -1.16 -4.92 118.95 114.62 1m4q s ARG 144 Ca 0.49 0.66 0.32 0.00 -0.52 0.00 0.00 55.73 56.68 1m4q s ARG 144 Cb -0.10 0.34 1.81 0.00 0.52 0.00 0.00 34.95 37.52 1m4q s ARG 144 CO 0.41 -0.69 2.17 -0.35 0.02 0.00 0.00 175.30 176.86