#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 0.90 0.16 0.00 3.14 -1.26 -4.60 118.33 116.68 1m4q n VAL 3 Ca 0.00 -0.30 0.05 0.00 -2.96 0.00 0.00 64.34 61.13 1m4q n VAL 3 Cb 0.00 -1.30 0.09 0.00 -1.06 0.00 0.00 33.84 31.58 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1m4q h SER 4 N -0.22 0.00 -0.63 6.55 0.87 -2.04 -3.29 113.55 114.78 1m4q h SER 4 Ca -0.38 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.30 1m4q h SER 4 Cb 1.48 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.35 1m4q h SER 4 CO -0.13 0.38 0.18 -0.33 -0.53 0.00 0.00 176.83 176.40 1m4q h GLU 5 N 0.00 0.32 -0.15 2.24 5.08 -1.99 0.86 114.58 120.94 1m4q h GLU 5 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1m4q h GLU 5 Cb 1.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1m4q h GLU 5 CO 0.05 0.21 0.09 1.03 -1.00 0.00 0.00 179.01 179.39 1m4q h SER 6 N 0.33 0.17 0.88 1.42 0.87 -1.83 -1.73 113.55 113.66 1m4q h SER 6 Ca 0.33 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1m4q h SER 6 Cb 0.48 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1m4q h SER 6 CO -0.38 0.15 -0.02 -0.61 -0.53 0.00 0.00 176.83 175.44 1m4q h GLN 7 N 0.18 0.00 0.72 2.24 4.15 -1.39 -3.22 115.11 117.79 1m4q h GLN 7 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1m4q h GLN 7 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1m4q h GLN 7 CO -0.01 0.02 -0.38 1.25 -1.93 0.00 0.00 178.83 177.78 1m4q h LEU 8 N 0.00 -0.92 -1.83 -2.39 7.12 0.16 -0.07 115.31 117.38 1m4q h LEU 8 Ca -0.00 0.04 0.09 0.00 0.13 0.00 0.00 57.88 58.14 1m4q h LEU 8 Cb 0.46 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 1m4q h LEU 8 CO 0.00 -0.62 0.29 0.11 -0.13 0.00 0.00 178.44 178.10 1m4q h LYS 9 N -1.01 0.19 0.00 1.25 1.57 -1.57 -0.44 116.57 116.57 1m4q h LYS 9 Ca -0.10 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1m4q h LYS 9 Cb 0.78 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1m4q h LYS 9 CO 0.14 0.13 -0.52 0.87 -0.57 0.00 0.00 179.45 179.49 1m4q h LYS 10 N 0.20 0.00 0.00 3.15 1.57 -1.50 -2.57 116.57 117.42 1m4q h LYS 10 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1m4q h LYS 10 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1m4q h LYS 10 CO -0.03 0.52 -0.07 0.00 -0.57 0.00 0.00 179.45 179.30 1m4q h MET 11 N 0.00 0.00 0.00 3.15 -0.00 0.75 -3.38 114.93 115.45 1m4q h MET 11 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1m4q h MET 11 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.62 1m4q h MET 11 CO 0.07 0.07 0.00 1.33 -0.00 0.00 0.00 176.91 178.38 1m4q n VAL 12 N -4.04 0.00 -2.70 -0.10 0.24 -1.15 -4.87 118.33 105.72 1m4q n VAL 12 Ca -0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.13 1m4q n VAL 12 Cb 0.16 -0.72 -0.00 0.00 -1.47 0.00 0.00 33.84 31.80 1m4q n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4q n SER 13 N -0.90 -3.74 0.00 -1.34 2.88 -0.98 -4.62 113.62 104.92 1m4q n SER 13 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1m4q n SER 13 Cb 0.00 -3.16 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m4q n LYS 14 N -3.06 0.87 -1.11 -1.46 5.02 -1.26 -5.13 118.16 112.02 1m4q n LYS 14 Ca -0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.88 1m4q n LYS 14 Cb 0.59 -0.07 0.11 0.00 -0.02 0.00 0.00 35.03 35.64 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 2.32 0.36 2.13 1.51 -1.26 -4.92 117.35 117.49 1m4q s TYR 15 Ca 0.00 1.61 0.05 0.00 -1.01 0.00 0.00 57.07 57.72 1m4q s TYR 15 Cb 0.00 -3.13 0.70 0.00 -0.11 0.00 0.00 41.96 39.42 1m4q s TYR 15 CO 0.00 -2.08 1.96 -0.22 -1.11 0.00 0.00 175.55 174.10 1m4q h LYS 16 N -1.34 0.58 -2.12 -0.62 3.64 -1.97 -3.31 116.57 111.42 1m4q h LYS 16 Ca -0.44 -0.08 -0.57 0.00 -1.27 0.00 0.00 60.65 58.30 1m4q h LYS 16 Cb 1.24 -0.11 -0.39 0.00 -0.41 0.00 0.00 32.23 32.56 1m4q h LYS 16 CO 0.49 0.48 -1.02 0.66 -2.27 0.00 0.00 179.45 177.80 1m4q n TYR 17 N -4.37 0.03 -0.21 1.91 4.01 -1.26 -4.98 117.16 112.29 1m4q n TYR 17 Ca 0.03 -3.59 0.01 0.00 -0.16 0.00 0.00 57.90 54.19 1m4q n TYR 17 Cb 0.15 -0.26 0.11 0.00 -0.31 0.00 0.00 39.34 39.03 1m4q n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4q h ARG 18 N 4.38 0.14 0.25 -0.72 2.43 -1.94 0.46 114.38 119.38 1m4q h ARG 18 Ca 0.13 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1m4q h ARG 18 Cb 0.86 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1m4q h ARG 18 CO 0.49 0.09 -0.18 0.38 -1.51 0.00 0.00 179.97 179.24 1m4q h ASP 19 N 0.15 -0.47 0.49 -3.80 2.03 -1.94 0.87 116.42 113.74 1m4q h ASP 19 Ca 0.33 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.65 1m4q h ASP 19 Cb 0.53 0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1m4q h ASP 19 CO -0.51 -0.29 -0.06 -0.07 -1.03 0.00 0.00 179.24 177.28 1m4q h LEU 20 N -0.43 0.00 0.11 0.15 4.07 -1.77 0.17 115.31 117.60 1m4q h LEU 20 Ca -0.02 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.69 1m4q h LEU 20 Cb 0.38 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 1m4q h LEU 20 CO -0.00 0.06 -1.26 0.74 -1.08 0.00 0.00 178.44 176.89 1m4q h THR 21 N 0.00 1.12 -0.44 0.22 2.02 0.69 -3.19 112.91 113.34 1m4q h THR 21 Ca -0.00 -2.41 -0.10 0.00 0.77 0.00 0.00 66.41 64.67 1m4q h THR 21 Cb 0.32 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1m4q h THR 21 CO 0.01 0.68 -0.12 0.58 0.37 0.00 0.00 175.52 177.04 1m4q h VAL 22 N -0.38 1.27 -0.66 3.16 2.07 0.96 -2.51 116.25 120.16 1m4q h VAL 22 Ca -0.27 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1m4q h VAL 22 Cb 1.69 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1m4q h VAL 22 CO 0.06 0.42 0.43 -0.09 0.02 0.00 0.00 177.57 178.40 1m4q h ARG 23 N 0.68 0.84 -0.56 1.57 2.43 -1.12 -0.89 114.38 117.33 1m4q h ARG 23 Ca 0.11 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1m4q h ARG 23 Cb 0.66 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1m4q h ARG 23 CO 0.05 0.55 0.26 0.93 -1.51 0.00 0.00 179.97 180.25 1m4q h GLU 24 N 0.86 0.80 0.97 0.20 5.08 -1.52 -0.20 114.58 120.76 1m4q h GLU 24 Ca 0.25 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1m4q h GLU 24 Cb -0.06 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.06 1m4q h GLU 24 CO -0.07 0.66 -0.47 1.15 -1.00 0.00 0.00 179.01 179.28 1m4q h THR 25 N 0.75 0.04 -0.71 1.13 2.02 -0.99 -1.79 112.91 113.36 1m4q h THR 25 Ca 0.19 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.45 1m4q h THR 25 Cb 0.12 0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 1m4q h THR 25 CO -0.02 0.00 0.34 -0.37 0.37 0.00 0.00 175.52 175.84 1m4q h VAL 26 N -1.32 0.82 -0.73 3.16 -1.51 -1.15 -1.58 116.25 113.94 1m4q h VAL 26 Ca -0.13 -0.20 0.07 0.00 -1.23 0.00 0.00 66.70 65.21 1m4q h VAL 26 Cb 1.00 0.20 -0.06 0.00 -2.13 0.00 0.00 31.29 30.29 1m4q h VAL 26 CO 0.22 0.10 0.42 -1.13 -1.23 0.00 0.00 177.57 175.95 1m4q h ASN 27 N 0.57 0.62 -0.09 4.19 -0.73 -0.92 1.01 115.58 120.23 1m4q h ASN 27 Ca 0.36 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.55 1m4q h ASN 27 Cb 0.40 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.90 1m4q h ASN 27 CO -0.29 0.39 0.03 0.58 -0.37 0.00 0.00 177.43 177.78 1m4q h VAL 28 N 0.75 1.14 -0.10 2.57 2.07 -0.40 -0.62 116.25 121.67 1m4q h VAL 28 Ca 0.33 -0.42 -0.18 0.00 0.82 0.00 0.00 66.70 67.25 1m4q h VAL 28 Cb 0.22 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1m4q h VAL 28 CO -0.19 0.12 -0.70 0.16 0.02 0.00 0.00 177.57 176.98 1m4q h ILE 29 N -0.02 1.37 0.00 4.57 3.07 -1.04 -1.50 117.51 123.97 1m4q h ILE 29 Ca 0.03 -2.07 -0.08 0.00 1.55 0.00 0.00 64.86 64.29 1m4q h ILE 29 Cb 0.16 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 1m4q h ILE 29 CO -0.00 0.63 -0.37 0.74 -1.05 0.00 0.00 178.15 178.10 1m4q h THR 30 N 0.30 1.11 0.12 0.16 2.02 0.11 1.03 112.91 117.76 1m4q h THR 30 Ca -0.02 -1.33 -0.28 0.00 0.77 0.00 0.00 66.41 65.54 1m4q h THR 30 Cb 1.26 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1m4q h THR 30 CO 0.12 0.36 -1.43 0.25 0.37 0.00 0.00 175.52 175.19 1m4q h LEU 31 N 0.00 0.41 0.01 2.58 5.85 -1.03 -3.40 115.31 119.72 1m4q h LEU 31 Ca -0.00 -0.87 -0.12 0.00 0.84 0.00 0.00 57.88 57.73 1m4q h LEU 31 Cb 0.72 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1m4q h LEU 31 CO 0.05 1.63 -0.64 1.88 -0.34 0.00 0.00 178.44 181.02 1m4q h TYR 32 N -0.25 0.02 0.00 1.25 0.05 -1.26 -3.48 116.97 113.29 1m4q h TYR 32 Ca -0.30 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1m4q h TYR 32 Cb 1.80 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.54 1m4q h TYR 32 CO 0.12 1.25 0.00 0.36 -1.05 0.00 0.00 178.16 178.85 1m4q n LYS 33 N -4.50 -0.34 -0.00 4.88 -0.00 0.36 -4.79 118.16 113.76 1m4q n LYS 33 Ca -0.21 0.09 0.03 0.00 -0.00 0.00 0.00 58.31 58.21 1m4q n LYS 33 Cb 0.59 -3.37 -0.04 0.00 -0.00 0.00 0.00 35.03 32.21 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 -0.17 3.76 -4.58 -5.58 8.00 -1.26 -4.95 116.55 111.76 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 0.09 1.23 -0.05 0.00 -0.02 0.00 0.00 41.12 42.37 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 -3.41 4.08 -0.23 0.64 2.96 -1.26 -3.54 118.68 117.93 1m4q s LEU 35 Ca -0.02 0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 53.96 1m4q s LEU 35 Cb 0.03 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 1m4q s LEU 35 CO 0.23 -0.87 0.66 -0.75 -1.32 0.00 0.00 176.35 174.29 1m4q s LYS 36 N 3.39 4.16 0.26 1.98 2.20 0.30 -4.67 119.74 127.36 1m4q s LYS 36 Ca 0.34 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 1m4q s LYS 36 Cb -0.12 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 1m4q s LYS 36 CO 0.21 -0.36 1.15 -1.25 -0.36 0.00 0.00 175.35 174.74 1m4q s PRO 37 N 2.31 4.56 0.01 4.03 0.04 -1.26 -0.98 135.00 143.70 1m4q s PRO 37 Ca 0.28 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1m4q s PRO 37 Cb -0.16 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1m4q s PRO 37 CO 0.09 0.07 -0.03 0.54 0.04 0.00 0.00 177.00 177.71 1m4q s VAL 38 N -0.83 0.24 0.29 -0.36 0.11 0.97 -4.92 120.40 115.90 1m4q s VAL 38 Ca 0.47 -0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1m4q s VAL 38 Cb -0.33 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1m4q s VAL 38 CO 0.41 -0.10 0.52 -0.22 -3.33 0.00 0.00 175.10 172.39 1m4q s LEU 39 N -0.51 4.07 0.14 2.54 1.98 -1.26 0.11 118.68 125.75 1m4q s LEU 39 Ca -0.03 0.58 -0.19 0.00 -2.89 0.00 0.00 54.13 51.60 1m4q s LEU 39 Cb -0.04 -3.41 0.05 0.00 0.66 0.00 0.00 46.19 43.45 1m4q s LEU 39 CO -0.00 -0.20 0.48 -0.62 -1.89 0.00 0.00 176.35 174.12 1m4q s ASP 40 N -3.41 -0.37 -0.28 3.68 -1.08 -0.29 -4.78 116.67 110.13 1m4q s ASP 40 Ca 0.42 -0.20 -0.17 0.00 -0.52 0.00 0.00 52.55 52.08 1m4q s ASP 40 Cb -0.10 0.53 0.11 0.00 -1.46 0.00 0.00 42.92 41.99 1m4q s ASP 40 CO 0.32 -0.91 0.84 -0.44 0.52 0.00 0.00 175.17 175.50 1m4q s SER 41 N -2.79 -0.71 0.05 -0.34 0.01 -1.26 -0.51 113.70 108.16 1m4q s SER 41 Ca 0.02 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1m4q s SER 41 Cb 0.01 1.27 -0.03 0.00 0.21 0.00 0.00 66.02 67.48 1m4q s SER 41 CO -0.12 -0.19 -0.04 -0.47 0.41 0.00 0.00 173.24 172.83 1m4q s TYR 42 N 1.31 0.54 0.33 2.43 5.04 -1.18 -4.80 117.35 121.01 1m4q s TYR 42 Ca -0.08 -0.85 -0.14 0.00 -2.44 0.00 0.00 57.07 53.57 1m4q s TYR 42 Cb -0.04 -0.36 -0.08 0.00 0.35 0.00 0.00 41.96 41.82 1m4q s TYR 42 CO -0.15 -0.26 0.72 0.14 -1.34 0.00 0.00 175.55 174.66 1m4q s VAL 43 N -2.99 4.72 0.10 3.14 -7.23 -1.26 -0.15 120.40 116.73 1m4q s VAL 43 Ca 0.00 0.86 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 1m4q s VAL 43 Cb 0.01 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1m4q s VAL 43 CO -0.06 -0.22 0.00 0.49 -0.31 0.00 0.00 175.10 175.00 1m4q n PHE 44 N -0.48 -1.60 -1.52 2.82 3.72 -1.18 -4.74 117.46 114.47 1m4q n PHE 44 Ca 0.03 0.24 -0.13 0.00 -0.05 0.00 0.00 57.45 57.54 1m4q n PHE 44 Cb 0.53 0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 39.85 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 -2.75 1.06 -1.90 4.37 5.03 -1.26 -3.06 115.26 116.75 1m4q n ASN 45 Ca 0.00 -1.90 -0.12 0.00 0.87 0.00 0.00 54.58 53.44 1m4q n ASN 45 Cb 0.00 -1.54 -0.03 0.00 -1.02 0.00 0.00 39.78 37.19 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1m4q n ASP 46 N 17.42 -3.44 -0.16 6.41 8.00 -1.26 -3.54 116.55 139.99 1m4q n ASP 46 Ca 0.42 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1m4q n ASP 46 Cb 0.44 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 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 -0.51 0.61 3.02 0.44 0.00 -1.17 -5.12 105.19 102.46 1m4q n GLY 47 Ca -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.79 -0.50 0.44 1.61 0.01 -1.23 -4.85 113.70 108.39 1m4q s SER 48 Ca 0.00 -0.26 -0.22 0.00 1.31 0.00 0.00 55.95 56.79 1m4q s SER 48 Cb 0.00 1.50 -0.12 0.00 0.21 0.00 0.00 66.02 67.61 1m4q s SER 48 CO 0.00 -0.31 0.51 -1.20 0.41 0.00 0.00 173.24 172.65 1m4q n SER 49 N 5.25 -1.02 -4.04 2.44 7.64 -1.26 -3.13 113.62 119.51 1m4q n SER 49 Ca 0.04 0.87 -0.20 0.00 1.01 0.00 0.00 58.87 60.59 1m4q n SER 49 Cb 0.51 -1.11 -0.15 0.00 -1.01 0.00 0.00 64.21 62.46 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 -1.62 0.86 -0.22 1.43 3.52 0.79 -4.84 118.95 118.88 1m4q s ARG 50 Ca 0.64 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 1m4q s ARG 50 Cb -0.58 -0.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.95 1m4q s ARG 50 CO 0.58 0.22 1.66 -2.00 -0.81 0.00 0.00 175.30 174.94 1m4q s GLU 51 N -0.21 3.76 -0.24 5.12 2.56 -1.26 -3.08 118.70 125.36 1m4q s GLU 51 Ca 0.03 1.69 -0.03 0.00 0.00 0.00 0.00 54.97 56.66 1m4q s GLU 51 Cb -0.04 -4.06 0.10 0.00 2.00 0.00 0.00 34.13 32.13 1m4q s GLU 51 CO -0.00 -1.34 0.19 -0.51 -0.56 0.00 0.00 175.26 173.04 1m4q s LEU 52 N 5.35 0.11 0.63 2.70 1.43 0.33 -4.89 118.68 124.34 1m4q s LEU 52 Ca 0.73 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 1m4q s LEU 52 Cb -0.26 0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 1m4q s LEU 52 CO 0.30 -0.37 1.00 0.00 0.23 0.00 0.00 176.35 177.51 1m4q s MET 53 N 2.24 3.15 0.27 1.70 0.00 -1.25 -1.14 119.30 124.28 1m4q s MET 53 Ca 0.07 0.40 -0.09 0.00 0.00 0.00 0.00 55.69 56.08 1m4q s MET 53 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 34.83 32.53 1m4q s MET 53 CO -0.22 -0.73 0.44 0.54 0.00 0.00 0.00 175.02 175.05 1m4q s ASN 54 N -4.27 0.19 0.01 -1.18 4.22 0.31 0.75 114.94 114.96 1m4q s ASN 54 Ca 0.55 -1.13 0.02 0.00 -2.14 0.00 0.00 52.86 50.16 1m4q s ASN 54 Cb -0.11 0.58 -0.01 0.00 1.28 0.00 0.00 41.25 43.00 1m4q s ASN 54 CO 0.50 -1.15 -0.07 -0.76 -2.04 0.00 0.00 177.10 173.58 1m4q s LEU 55 N -3.09 2.06 -0.06 3.54 1.43 -0.39 -0.02 118.68 122.15 1m4q s LEU 55 Ca 0.27 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1m4q s LEU 55 Cb 0.00 -0.30 0.02 0.00 0.03 0.00 0.00 46.19 45.94 1m4q s LEU 55 CO 0.12 0.02 0.18 0.28 0.23 0.00 0.00 176.35 177.18 1m4q s THR 56 N -0.41 0.00 0.00 5.49 -1.32 -0.15 -2.41 115.64 116.85 1m4q s THR 56 Ca -0.00 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1m4q s THR 56 Cb -0.04 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1m4q s THR 56 CO -0.00 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1m4q n GLY 57 N 2.92 2.36 3.68 6.08 0.00 -1.11 0.11 105.19 119.23 1m4q n GLY 57 Ca -0.13 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 5.14 -0.08 2.61 -4.23 -1.23 -1.78 115.64 114.07 1m4q s THR 58 Ca 0.00 0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 61.30 1m4q s THR 58 Cb 0.00 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1m4q s THR 58 CO 0.00 0.23 0.31 -0.51 -0.54 0.00 0.00 174.62 174.10 1m4q s ILE 59 N 1.32 5.24 -0.31 2.99 2.07 0.62 -4.49 121.20 128.63 1m4q s ILE 59 Ca 0.24 0.60 -0.29 0.00 -1.41 0.00 0.00 60.65 59.78 1m4q s ILE 59 Cb -0.15 -3.61 -0.00 0.00 0.13 0.00 0.00 42.46 38.83 1m4q s ILE 59 CO 0.10 0.53 1.36 -2.16 -1.91 0.00 0.00 174.94 172.86 1m4q s PRO 60 N -0.59 3.84 -0.10 3.50 0.04 -1.26 -1.70 135.00 138.74 1m4q s PRO 60 Ca 0.19 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1m4q s PRO 60 Cb -0.14 -3.92 0.02 0.00 0.04 0.00 0.00 34.50 30.49 1m4q s PRO 60 CO 0.08 -1.22 -0.10 0.08 0.04 0.00 0.00 177.00 175.89 1m4q s VAL 61 N 4.67 1.08 0.17 -0.36 1.01 -0.70 -4.91 120.40 121.36 1m4q s VAL 61 Ca 0.59 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 1m4q s VAL 61 Cb -0.17 -1.05 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 1m4q s VAL 61 CO 0.25 0.36 1.42 -2.16 0.00 0.00 0.00 175.10 174.98 1m4q s PRO 62 N 1.29 4.30 0.00 2.72 0.04 -1.26 0.38 135.00 142.47 1m4q s PRO 62 Ca -0.03 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1m4q s PRO 62 Cb -0.14 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1m4q s PRO 62 CO -0.04 -0.43 0.00 0.98 0.04 0.00 0.00 177.00 177.55 1m4q n TYR 63 N 3.41 0.00 -0.01 0.56 9.36 0.25 -4.63 117.16 126.10 1m4q n TYR 63 Ca 0.10 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.27 1m4q n TYR 63 Cb 0.41 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 39.25 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 0.00 2.12 0.00 2.98 5.12 -1.26 -4.48 116.66 121.14 1m4q n ARG 64 Ca 0.00 -1.48 0.00 0.00 -1.93 0.00 0.00 57.85 54.44 1m4q n ARG 64 Cb 0.00 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m4q n GLY 65 N -0.05 0.15 3.22 -0.13 0.00 -1.26 -5.16 105.19 101.96 1m4q n GLY 65 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1m4q n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4q s ASN 66 N 0.00 0.03 -0.23 1.61 4.22 -1.26 -5.13 114.94 114.17 1m4q s ASN 66 Ca 0.00 -0.48 -0.24 0.00 -2.14 0.00 0.00 52.86 50.00 1m4q s ASN 66 Cb 0.00 0.34 -0.01 0.00 1.28 0.00 0.00 41.25 42.87 1m4q s ASN 66 CO 0.00 -0.68 0.81 -0.89 -2.04 0.00 0.00 177.10 174.30 1m4q s THR 67 N -3.35 4.86 0.00 0.54 2.01 -1.26 0.86 115.64 119.31 1m4q s THR 67 Ca 0.01 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.55 1m4q s THR 67 Cb 0.02 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1m4q s THR 67 CO -0.08 -0.04 0.00 -1.22 -0.69 0.00 0.00 174.62 172.59 1m4q n TYR 68 N 5.81 -3.19 -3.71 4.92 4.02 0.16 -4.75 117.16 120.42 1m4q n TYR 68 Ca 0.05 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.90 57.63 1m4q n TYR 68 Cb 0.48 -0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.67 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 -1.02 3.65 0.03 7.72 0.01 -1.26 -1.72 114.94 122.36 1m4q s ASN 69 Ca 0.00 -2.59 -0.30 0.00 -0.71 0.00 0.00 52.86 49.26 1m4q s ASN 69 Cb -0.00 -1.02 -0.04 0.00 0.41 0.00 0.00 41.25 40.60 1m4q s ASN 69 CO 0.00 -0.27 1.10 -0.51 -1.51 0.00 0.00 177.10 175.91 1m4q s ILE 70 N 0.40 4.43 0.47 0.60 1.10 -0.69 -4.64 121.20 122.88 1m4q s ILE 70 Ca 0.17 1.74 -0.21 0.00 -0.51 0.00 0.00 60.65 61.85 1m4q s ILE 70 Cb -0.24 -4.12 -0.09 0.00 0.15 0.00 0.00 42.46 38.16 1m4q s ILE 70 CO 0.00 0.13 1.03 -2.16 -2.11 0.00 0.00 174.94 171.83 1m4q s PRO 71 N 1.08 3.86 0.03 3.50 0.04 -1.26 -0.28 135.00 141.97 1m4q s PRO 71 Ca 0.55 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 1m4q s PRO 71 Cb -0.25 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 1m4q s PRO 71 CO 0.28 -0.38 0.14 0.42 0.04 0.00 0.00 177.00 177.51 1m4q s ILE 72 N -1.97 0.11 -0.29 0.56 -1.09 -0.74 -4.59 121.20 113.20 1m4q s ILE 72 Ca 0.66 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 1m4q s ILE 72 Cb -0.16 -0.79 0.18 0.00 -1.58 0.00 0.00 42.46 40.12 1m4q s ILE 72 CO 0.20 -0.51 0.55 0.00 -1.23 0.00 0.00 174.94 173.96 1m4q s LEU 74 N 2.79 2.13 0.00 0.00 2.34 -1.01 -1.66 118.68 123.26 1m4q s LEU 74 Ca 0.16 -0.28 -0.16 0.00 0.06 0.00 0.00 54.13 53.92 1m4q s LEU 74 Cb -0.13 -0.04 0.21 0.00 -0.56 0.00 0.00 46.19 45.67 1m4q s LEU 74 CO -0.23 -0.13 1.24 0.79 -1.06 0.00 0.00 176.35 176.97 1m4q n TRP 75 N 2.29 -4.00 -3.46 3.48 7.02 -1.18 -1.26 117.44 120.34 1m4q n TRP 75 Ca -0.18 -1.10 -0.23 0.00 -1.02 0.00 0.00 57.50 54.97 1m4q n TRP 75 Cb 0.57 -0.96 -0.12 0.00 -2.42 0.00 0.00 31.31 28.38 1m4q n TRP 75 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1m4q s LEU 76 N 0.00 0.23 1.12 -0.99 2.96 0.23 -4.78 118.68 117.44 1m4q s LEU 76 Ca 0.70 -1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 1m4q s LEU 76 Cb -0.02 0.07 0.25 0.00 0.50 0.00 0.00 46.19 46.99 1m4q s LEU 76 CO 0.49 -0.38 1.11 -0.76 -1.32 0.00 0.00 176.35 175.49 1m4q s LEU 77 N 1.98 1.10 0.05 -0.68 1.02 -1.26 -3.77 118.68 117.12 1m4q s LEU 77 Ca 0.11 0.82 -0.35 0.00 0.02 0.00 0.00 54.13 54.74 1m4q s LEU 77 Cb -0.16 -2.74 -0.19 0.00 0.02 0.00 0.00 46.19 43.12 1m4q s LEU 77 CO -0.27 -3.70 1.47 0.44 0.02 0.00 0.00 176.35 174.32 1m4q h ASP 78 N -2.29 -1.02 0.00 2.29 3.32 -1.99 -3.46 116.42 113.27 1m4q h ASP 78 Ca -0.49 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1m4q h ASP 78 Cb 1.31 0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1m4q h ASP 78 CO 0.44 -0.69 0.00 1.07 -1.72 0.00 0.00 179.24 178.34 1m4q n THR 79 N -5.59 0.00 -3.64 0.35 5.66 -1.26 -4.46 114.28 105.34 1m4q n THR 79 Ca -0.15 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.79 1m4q n THR 79 Cb 0.48 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.19 1m4q n THR 79 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1m4q s TYR 80 N 0.00 -0.65 0.00 1.09 -0.85 -1.26 -4.79 117.35 110.88 1m4q s TYR 80 Ca 0.00 1.38 0.00 0.00 -0.52 0.00 0.00 57.07 57.93 1m4q s TYR 80 Cb 0.00 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.74 1m4q s TYR 80 CO 0.00 -0.32 0.31 -2.30 -1.52 0.00 0.00 175.55 171.71 1m4q n PRO 81 N 3.36 0.00 -0.10 -3.49 -0.02 -1.26 -4.71 135.00 128.77 1m4q n PRO 81 Ca -0.17 0.40 -0.19 0.00 -2.02 0.00 0.00 63.50 61.52 1m4q n PRO 81 Cb 0.57 -1.07 -0.09 0.00 -0.02 0.00 0.00 33.50 32.90 1m4q n PRO 81 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1m4q n TYR 82 N -1.70 0.73 -3.90 6.00 4.11 -1.26 -5.06 117.16 116.08 1m4q n TYR 82 Ca 0.00 0.32 -0.09 0.00 -0.00 0.00 0.00 57.90 58.13 1m4q n TYR 82 Cb 0.00 -0.98 -0.04 0.00 -0.00 0.00 0.00 39.34 38.32 1m4q n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1m4q s ASN 83 N -6.72 -0.17 -0.45 9.48 -0.87 -1.26 -4.97 114.94 109.99 1m4q s ASN 83 Ca -0.28 -0.74 -0.32 0.00 -1.57 0.00 0.00 52.86 49.95 1m4q s ASN 83 Cb 0.07 0.61 -0.11 0.00 -0.02 0.00 0.00 41.25 41.80 1m4q s ASN 83 CO 0.49 -1.16 2.30 -0.81 -2.57 0.00 0.00 177.10 175.35 1m4q n PRO 84 N -0.38 1.00 0.20 -0.60 -0.04 -1.26 -4.82 135.00 129.10 1m4q n PRO 84 Ca -0.04 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 1m4q n PRO 84 Cb 0.61 -2.59 0.35 0.00 -0.04 0.00 0.00 33.50 31.83 1m4q n PRO 84 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1m4q h PRO 85 N 13.97 0.00 -6.19 0.54 0.13 -1.91 -3.44 132.00 135.11 1m4q h PRO 85 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 1m4q h PRO 85 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1m4q h PRO 85 CO 1.09 0.29 1.31 0.42 -0.23 0.00 0.00 178.00 180.88 1m4q s ILE 86 N -3.49 3.29 -0.13 -3.56 1.01 -1.26 -4.96 121.20 112.10 1m4q s ILE 86 Ca 0.01 0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.93 1m4q s ILE 86 Cb 0.10 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.30 1m4q s ILE 86 CO 0.66 -0.17 0.27 0.00 0.00 0.00 0.00 174.94 175.71 1m4q n PHE 88 N 4.99 -1.12 -4.22 0.00 1.16 -0.67 -1.89 117.46 115.72 1m4q n PHE 88 Ca -0.12 -1.83 -0.16 0.00 -1.87 0.00 0.00 57.45 53.47 1m4q n PHE 88 Cb 0.51 0.39 -0.14 0.00 -1.61 0.00 0.00 39.48 38.63 1m4q n PHE 88 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1m4q s VAL 89 N -2.76 0.53 -0.80 1.97 0.11 -0.56 -1.74 120.40 117.15 1m4q s VAL 89 Ca 0.23 -0.37 -0.12 0.00 -2.93 0.00 0.00 61.98 58.79 1m4q s VAL 89 Cb -0.00 -0.46 0.21 0.00 -1.53 0.00 0.00 36.38 34.59 1m4q s VAL 89 CO 0.17 0.09 0.72 -1.59 -3.33 0.00 0.00 175.10 171.16 1m4q s LYS 90 N -0.31 3.44 0.17 1.54 -2.85 -1.26 -4.62 119.74 115.85 1m4q s LYS 90 Ca 0.01 -2.47 -0.30 0.00 -1.00 0.00 0.00 55.97 52.21 1m4q s LYS 90 Cb -0.03 -4.32 -0.08 0.00 -2.06 0.00 0.00 37.83 31.33 1m4q s LYS 90 CO -0.00 -1.27 1.32 -1.25 0.10 0.00 0.00 175.35 174.24 1m4q s PRO 91 N 0.13 4.38 0.79 1.78 0.04 -1.26 -4.87 135.00 135.98 1m4q s PRO 91 Ca 0.18 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 1m4q s PRO 91 Cb -0.12 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.27 1m4q s PRO 91 CO -0.08 -0.29 1.12 0.95 0.04 0.00 0.00 177.00 178.74 1m4q s THR 92 N 0.39 2.89 0.25 1.26 -4.23 -1.26 -4.88 115.64 110.05 1m4q s THR 92 Ca 0.58 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 61.35 1m4q s THR 92 Cb -0.36 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 70.56 1m4q s THR 92 CO 0.36 -0.38 1.80 -1.28 -0.54 0.00 0.00 174.62 174.59 1m4q h SER 93 N -1.01 0.68 0.40 3.99 0.87 -2.00 0.22 113.55 116.70 1m4q h SER 93 Ca -0.47 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1m4q h SER 93 Cb 1.28 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1m4q h SER 93 CO 0.62 0.37 -0.03 -1.20 -0.53 0.00 0.00 176.83 176.06 1m4q n SER 94 N -4.75 0.16 -4.96 6.23 7.64 -1.26 -4.85 113.62 111.83 1m4q n SER 94 Ca 0.15 -0.44 -0.22 0.00 1.01 0.00 0.00 58.87 59.37 1m4q n SER 94 Cb 0.32 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.43 2.59 0.00 1.43 0.00 0.77 -4.00 119.30 117.65 1m4q s MET 95 Ca 0.32 -0.61 0.00 0.00 0.00 0.00 0.00 55.69 55.40 1m4q s MET 95 Cb 0.21 -2.44 0.00 0.00 0.00 0.00 0.00 34.83 32.60 1m4q s MET 95 CO 0.45 -0.73 0.00 2.41 0.00 0.00 0.00 175.02 177.15 1m4q n THR 96 N -2.41 0.00 -3.63 10.11 -1.04 -1.26 -4.75 114.28 111.31 1m4q n THR 96 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1m4q n THR 96 Cb 0.59 -0.11 -0.07 0.00 -1.82 0.00 0.00 70.33 68.92 1m4q n THR 96 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1m4q s ILE 97 N 1.54 0.00 -0.08 12.58 -1.09 -1.26 -4.79 121.20 128.10 1m4q s ILE 97 Ca 0.00 0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1m4q s ILE 97 Cb 0.00 -1.00 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 1m4q s ILE 97 CO 0.00 0.00 0.03 -1.59 -1.23 0.00 0.00 174.94 172.15 1m4q s LYS 98 N 0.11 0.31 1.03 2.79 0.00 -1.22 -4.98 119.74 117.78 1m4q s LYS 98 Ca 0.01 0.16 -0.14 0.00 0.00 0.00 0.00 55.97 56.01 1m4q s LYS 98 Cb -0.04 -0.94 0.20 0.00 0.00 0.00 0.00 37.83 37.05 1m4q s LYS 98 CO -0.03 -0.36 1.11 0.95 0.00 0.00 0.00 175.35 177.01 1m4q s THR 99 N 2.05 1.93 -5.00 3.79 -4.23 -1.26 -4.60 115.64 108.32 1m4q s THR 99 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1m4q s THR 99 Cb -0.13 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1m4q s THR 99 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1m4q n GLY 100 N -1.28 0.33 0.31 3.99 0.00 -0.94 -4.77 105.19 102.82 1m4q n GLY 100 Ca 0.07 -1.82 0.18 0.00 0.00 0.00 0.00 46.02 44.45 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 5.25 0.00 -0.02 1.61 2.10 -1.95 0.95 116.57 124.51 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 -0.41 0.72 -2.00 0.00 0.00 179.45 177.76 1m4q n HIS 102 N -2.84 0.00 -3.61 0.07 8.25 -1.21 -3.46 115.22 112.41 1m4q n HIS 102 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 1m4q n HIS 102 Cb 0.20 0.00 -0.05 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 -2.41 0.05 -0.07 1.59 1.01 0.33 -3.68 120.40 117.22 1m4q s VAL 103 Ca 0.20 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1m4q s VAL 103 Cb 0.18 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1m4q s VAL 103 CO 0.53 -0.21 -0.07 0.44 0.00 0.00 0.00 175.10 175.79 1m4q h ASP 104 N 2.70 0.00 0.00 3.32 3.32 -1.68 -2.48 116.42 121.59 1m4q h ASP 104 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1m4q h ASP 104 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1m4q h ASP 104 CO 0.43 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 178.31 1m4q n ALA 105 N -2.81 0.00 -0.23 3.45 0.00 -1.26 -4.60 120.51 115.05 1m4q n ALA 105 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1m4q n ALA 105 Cb 0.10 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.86 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 3.85 0.00 0.00 3.02 -1.26 -4.89 115.26 115.98 1m4q n ASN 106 Ca 0.00 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 1m4q n ASN 106 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m4q n GLY 107 N 1.44 0.26 3.77 7.41 0.00 -1.26 -4.88 105.19 111.93 1m4q n GLY 107 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.96 4.18 -0.17 1.61 3.01 -1.26 -1.49 119.74 124.66 1m4q s LYS 108 Ca 0.00 2.02 -0.29 0.00 -1.01 0.00 0.00 55.97 56.69 1m4q s LYS 108 Cb 0.00 -2.86 -0.00 0.00 -1.01 0.00 0.00 37.83 33.96 1m4q s LYS 108 CO 0.00 -0.27 1.03 0.42 0.51 0.00 0.00 175.35 177.04 1m4q s ILE 109 N -1.27 4.72 -0.18 2.17 1.01 -0.79 -2.43 121.20 124.43 1m4q s ILE 109 Ca 0.53 2.03 -0.04 0.00 0.00 0.00 0.00 60.65 63.17 1m4q s ILE 109 Cb -0.35 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 37.89 1m4q s ILE 109 CO 0.45 -0.09 0.17 -0.47 0.00 0.00 0.00 174.94 175.00 1m4q s TYR 110 N 2.66 -0.11 0.00 3.97 5.04 -1.24 -4.88 117.35 122.80 1m4q s TYR 110 Ca 0.46 0.08 -0.14 0.00 -2.44 0.00 0.00 57.07 55.03 1m4q s TYR 110 Cb -0.17 -0.46 0.05 0.00 0.35 0.00 0.00 41.96 41.73 1m4q s TYR 110 CO 0.12 -0.53 0.66 1.47 -1.34 0.00 0.00 175.55 175.92 1m4q n LEU 111 N 5.31 0.00 -3.62 6.97 -0.00 -1.22 -2.89 117.00 121.55 1m4q n LEU 111 Ca -0.06 -0.30 -0.42 0.00 -0.00 0.00 0.00 56.01 55.23 1m4q n LEU 111 Cb 0.49 1.06 -0.05 0.00 -0.00 0.00 0.00 43.42 44.92 1m4q n LEU 111 CO 0.08 -0.10 2.21 -0.81 -0.00 0.00 0.00 177.39 178.77 1m4q n PRO 112 N -0.47 1.71 0.00 1.47 -0.04 -1.26 -4.51 135.00 131.90 1m4q n PRO 112 Ca 0.02 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1m4q n PRO 112 Cb 0.31 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1m4q n PRO 112 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m4q n TYR 113 N 7.15 0.00 -0.03 0.54 4.01 -1.26 -4.10 117.16 123.47 1m4q n TYR 113 Ca 0.50 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 58.08 1m4q n TYR 113 Cb 0.39 -0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 1m4q n TYR 113 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1m4q h LEU 114 N 0.00 0.62 -2.52 7.72 4.07 -1.90 -1.47 115.31 121.83 1m4q h LEU 114 Ca 0.00 -0.63 -0.00 0.00 0.08 0.00 0.00 57.88 57.33 1m4q h LEU 114 Cb 0.00 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 1m4q h LEU 114 CO 0.00 1.15 -0.01 0.45 -1.08 0.00 0.00 178.44 178.95 1m4q h HIS 115 N 0.13 0.00 0.00 1.13 3.86 -1.86 -3.31 115.15 115.11 1m4q h HIS 115 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1m4q h HIS 115 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1m4q h HIS 115 CO 0.11 0.01 -0.02 -1.91 0.86 0.00 0.00 177.93 176.97 1m4q n GLU 116 N -3.13 0.01 0.00 2.45 2.13 -1.17 -5.01 120.64 115.92 1m4q n GLU 116 Ca -0.02 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1m4q n GLU 116 Cb 0.14 -0.65 0.00 0.00 0.27 0.00 0.00 31.44 31.20 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 -2.44 0.00 -2.75 4.31 -0.00 -0.56 -4.88 117.44 111.11 1m4q n TRP 117 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 1m4q n TRP 117 Cb 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.36 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 -3.14 -0.00 5.87 4.81 -1.26 -4.89 118.16 119.55 1m4q n LYS 118 Ca 0.00 0.37 -0.16 0.00 -0.87 0.00 0.00 58.31 57.66 1m4q n LYS 118 Cb 0.00 -3.99 -0.05 0.00 0.02 0.00 0.00 35.03 31.01 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4q h HIS 119 N -0.96 0.95 0.05 5.64 2.76 -1.93 -3.47 115.15 118.18 1m4q h HIS 119 Ca -0.26 -0.43 -0.00 0.00 -2.20 0.00 0.00 60.37 57.48 1m4q h HIS 119 Cb 1.15 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1m4q h HIS 119 CO 0.20 1.24 -0.02 -1.35 -1.30 0.00 0.00 177.93 176.70 1m4q h PRO 120 N 0.47 -0.06 0.00 5.26 0.11 -2.00 -3.51 132.00 132.27 1m4q h PRO 120 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1m4q h PRO 120 Cb 1.40 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1m4q h PRO 120 CO 0.16 -0.04 0.00 0.94 -0.21 0.00 0.00 178.00 178.84 1m4q n GLN 121 N -2.40 0.00 -2.25 1.05 7.27 -1.26 -4.96 117.38 114.83 1m4q n GLN 121 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.78 1m4q n GLN 121 Cb 0.03 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.71 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 5.65 0.39 1.69 0.15 -1.26 -5.09 113.70 115.23 1m4q s SER 122 Ca 0.00 0.88 0.06 0.00 0.70 0.00 0.00 55.95 57.59 1m4q s SER 122 Cb 0.00 -1.86 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1m4q s SER 122 CO 0.00 -1.08 0.20 -0.90 1.20 0.00 0.00 173.24 172.66 1m4q n ASP 123 N -2.67 0.52 -0.30 5.45 5.75 -1.26 -4.97 116.55 119.06 1m4q n ASP 123 Ca 0.05 -3.25 0.11 0.00 -0.01 0.00 0.00 54.79 51.69 1m4q n ASP 123 Cb 0.57 1.30 0.28 0.00 -1.03 0.00 0.00 41.12 42.25 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1m4q h LEU 124 N 0.00 0.37 0.06 -2.12 5.85 -1.96 0.37 115.31 117.88 1m4q h LEU 124 Ca -0.30 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1m4q h LEU 124 Cb 1.25 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1m4q h LEU 124 CO 0.46 0.05 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.52 1m4q h LEU 125 N 0.45 -0.06 -2.17 2.25 -0.00 -1.96 -3.09 115.31 110.74 1m4q h LEU 125 Ca 0.53 -0.39 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1m4q h LEU 125 Cb 0.95 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1m4q h LEU 125 CO -0.48 0.37 -0.01 1.23 -0.00 0.00 0.00 178.44 179.54 1m4q h GLY 126 N -0.51 0.00 0.50 0.83 0.00 -1.65 -2.71 103.07 99.53 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 0.01 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 174.24 1m4q h LEU 127 N 0.00 -0.81 -1.94 3.11 6.46 -0.22 -2.49 115.31 119.42 1m4q h LEU 127 Ca -0.00 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.87 1m4q h LEU 127 Cb 0.03 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1m4q h LEU 127 CO 0.00 -0.48 0.19 0.40 -0.62 0.00 0.00 178.44 177.94 1m4q h ILE 128 N -0.77 0.90 -0.76 4.05 5.03 -1.56 -1.59 117.51 122.81 1m4q h ILE 128 Ca -0.07 -0.02 0.06 0.00 -0.12 0.00 0.00 64.86 64.71 1m4q h ILE 128 Cb 0.62 0.82 -0.06 0.00 -3.03 0.00 0.00 36.82 35.17 1m4q h ILE 128 CO 0.06 0.01 0.45 -0.61 -0.68 0.00 0.00 178.15 177.39 1m4q h GLN 129 N 0.07 0.81 -0.07 2.37 -0.00 -1.14 0.18 115.11 117.32 1m4q h GLN 129 Ca 0.13 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1m4q h GLN 129 Cb 0.42 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 27.72 1m4q h GLN 129 CO -0.01 0.53 0.02 0.28 0.00 0.00 0.00 178.83 179.66 1m4q h VAL 130 N 0.83 1.18 -0.56 2.39 2.07 -0.86 0.12 116.25 121.42 1m4q h VAL 130 Ca 0.33 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1m4q h VAL 130 Cb 0.17 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1m4q h VAL 130 CO -0.17 0.15 0.37 -0.03 0.02 0.00 0.00 177.57 177.91 1m4q h MET 131 N -0.08 0.60 -0.39 1.57 1.85 -1.32 0.92 114.93 118.07 1m4q h MET 131 Ca 0.02 -0.04 -0.16 0.00 -0.61 0.00 0.00 59.70 58.92 1m4q h MET 131 Cb 0.22 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1m4q h MET 131 CO -0.00 0.39 -0.37 0.82 -0.40 0.00 0.00 176.91 177.36 1m4q h ILE 132 N 0.61 1.27 0.15 1.77 2.04 -0.25 0.13 117.51 123.23 1m4q h ILE 132 Ca 0.23 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 1m4q h ILE 132 Cb 0.14 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1m4q h ILE 132 CO -0.06 0.52 -0.07 0.58 0.00 0.00 0.00 178.15 179.11 1m4q h VAL 133 N 0.77 0.98 0.16 1.67 2.07 0.22 0.87 116.25 122.99 1m4q h VAL 133 Ca 0.07 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1m4q h VAL 133 Cb 0.96 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1m4q h VAL 133 CO 0.09 0.16 -0.08 0.58 0.02 0.00 0.00 177.57 178.34 1m4q h VAL 134 N -0.54 0.87 0.00 2.57 2.07 -0.90 -2.08 116.25 118.25 1m4q h VAL 134 Ca -0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1m4q h VAL 134 Cb 0.41 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1m4q h VAL 134 CO 0.03 0.03 0.00 0.49 0.02 0.00 0.00 177.57 178.14 1m4q n PHE 135 N -5.16 0.71 -0.03 1.57 3.01 0.44 -1.29 117.46 116.71 1m4q n PHE 135 Ca -0.09 0.30 0.04 0.00 1.01 0.00 0.00 57.45 58.71 1m4q n PHE 135 Cb 0.13 -0.98 0.41 0.00 -0.01 0.00 0.00 39.48 39.03 1m4q n PHE 135 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1m4q h GLY 136 N 1.72 0.63 0.00 1.37 0.00 -0.07 -3.33 103.07 103.39 1m4q h GLY 136 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1m4q h GLY 136 CO 0.00 0.22 -1.28 1.22 0.00 0.00 0.00 176.54 176.70 1m4q n ASP 137 N -4.47 3.62 -4.53 0.19 9.92 -1.11 -4.42 116.55 115.74 1m4q n ASP 137 Ca 0.04 -0.03 -0.43 0.00 -0.53 0.00 0.00 54.79 53.84 1m4q n ASP 137 Cb 0.08 -0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 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 -2.10 3.37 -0.40 -1.24 -6.30 -0.41 -5.02 118.70 106.61 1m4q s GLU 138 Ca -0.07 -0.18 -0.29 0.00 -2.50 0.00 0.00 54.97 51.93 1m4q s GLU 138 Cb 0.02 -3.99 0.01 0.00 0.00 0.00 0.00 34.13 30.17 1m4q s GLU 138 CO 0.11 -1.27 1.38 -1.25 0.02 0.00 0.00 175.26 174.26 1m4q s PRO 139 N 3.53 3.64 0.33 4.30 0.04 -1.26 -4.11 135.00 141.46 1m4q s PRO 139 Ca 0.30 0.97 0.18 0.00 0.04 0.00 0.00 61.00 62.48 1m4q s PRO 139 Cb -0.12 -4.00 0.15 0.00 0.04 0.00 0.00 34.50 30.57 1m4q s PRO 139 CO 0.21 -1.48 1.48 -1.00 0.04 0.00 0.00 177.00 176.25 1m4q h PRO 140 N 10.39 0.00 -1.22 0.56 0.13 -1.93 -3.42 132.00 136.50 1m4q h PRO 140 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1m4q h PRO 140 Cb 1.10 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.01 1m4q h PRO 140 CO 1.08 0.33 -0.50 0.54 -0.23 0.00 0.00 178.00 179.21 1m4q s VAL 141 N -3.05 -0.84 -0.19 1.56 0.11 -1.26 -3.43 120.40 113.29 1m4q s VAL 141 Ca 0.05 -0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 58.69 1m4q s VAL 141 Cb 0.07 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1m4q s VAL 141 CO 0.72 -0.14 0.45 0.72 -3.33 0.00 0.00 175.10 173.52 1m4q s PHE 142 N 1.78 3.38 0.41 1.54 -0.12 -1.26 -4.77 117.98 118.94 1m4q s PHE 142 Ca 0.16 0.69 -0.02 0.00 -0.05 0.00 0.00 56.93 57.71 1m4q s PHE 142 Cb -0.07 -2.58 -0.03 0.00 -0.63 0.00 0.00 43.02 39.70 1m4q s PHE 142 CO -0.07 -0.03 0.65 0.45 -0.05 0.00 0.00 175.22 176.17 1m4q s SER 143 N 1.06 6.28 0.27 1.98 0.15 -1.26 -4.01 113.70 118.17 1m4q s SER 143 Ca 0.21 0.66 -0.29 0.00 0.70 0.00 0.00 55.95 57.23 1m4q s SER 143 Cb -0.15 -2.13 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 1m4q s SER 143 CO 0.09 -0.42 1.05 -0.60 1.20 0.00 0.00 173.24 174.56 1m4q s ARG 144 N -4.50 4.70 0.00 5.44 3.52 -1.26 -4.98 118.95 121.87 1m4q s ARG 144 Ca 0.43 1.71 0.18 0.00 -0.13 0.00 0.00 55.73 57.92 1m4q s ARG 144 Cb -0.10 -3.20 1.05 0.00 -1.56 0.00 0.00 34.95 31.14 1m4q s ARG 144 CO 0.40 0.30 1.45 -0.35 -0.81 0.00 0.00 175.30 176.29