#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5h n ASN 5 N 0.00 0.00 -1.31 1.45 5.15 -1.26 -1.46 115.26 117.83 2o5h n ASN 5 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 2o5h n ASN 5 Cb 0.00 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 39.56 2o5h n ASN 5 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2o5h n ASN 6 N 1.18 4.36 -0.34 1.20 3.02 -1.26 -4.69 115.26 118.74 2o5h n ASN 6 Ca 0.00 -2.53 -0.02 0.00 -0.03 0.00 0.00 54.58 52.00 2o5h n ASN 6 Cb 0.00 -0.52 0.11 0.00 -0.61 0.00 0.00 39.78 38.76 2o5h n ASN 6 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2o5h h HIS 7 N 3.25 1.12 0.00 3.10 2.76 -1.70 -1.90 115.15 121.78 2o5h h HIS 7 Ca 0.00 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2o5h h HIS 7 Cb 1.38 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 2o5h h HIS 7 CO 0.65 0.66 -0.48 -0.44 -1.30 0.00 0.00 177.93 177.02 2o5h h ASP 8 N 1.17 0.00 -0.18 3.26 3.32 -1.84 -0.41 116.42 121.75 2o5h h ASP 8 Ca 0.35 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 2o5h h ASP 8 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2o5h h ASP 8 CO -0.11 0.48 -0.03 0.58 -1.72 0.00 0.00 179.24 178.44 2o5h h VAL 9 N 0.00 1.28 -0.28 -1.35 2.07 -1.79 -1.61 116.25 114.57 2o5h h VAL 9 Ca -0.00 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.58 2o5h h VAL 9 Cb 1.01 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 2o5h h VAL 9 CO 0.06 0.29 0.03 0.45 0.02 0.00 0.00 177.57 178.42 2o5h h HIS 10 N 0.05 0.04 -0.17 1.57 3.86 -1.19 -0.19 115.15 119.12 2o5h h HIS 10 Ca 0.05 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2o5h h HIS 10 Cb 0.46 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.91 2o5h h HIS 10 CO 0.05 -0.02 -0.11 -0.22 0.86 0.00 0.00 177.93 178.49 2o5h h LYS 11 N 0.12 -0.11 -0.04 2.45 1.63 -1.04 -0.24 116.57 119.34 2o5h h LYS 11 Ca 0.13 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 2o5h h LYS 11 Cb 0.16 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 2o5h h LYS 11 CO -0.20 -0.07 -0.11 0.00 -3.45 0.00 0.00 179.45 175.62 2o5h h ARG 12 N -0.11 -0.16 -0.87 1.90 3.08 -1.03 -2.44 114.38 114.76 2o5h h ARG 12 Ca 0.10 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.20 2o5h h ARG 12 Cb 0.26 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 2o5h h ARG 12 CO -0.24 -0.11 0.57 -0.92 -1.07 0.00 0.00 179.97 178.20 2o5h h TYR 13 N -0.17 1.03 0.00 3.04 3.20 -0.82 -2.44 116.97 120.82 2o5h h TYR 13 Ca 0.05 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2o5h h TYR 13 Cb 0.24 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 2o5h h TYR 13 CO -0.19 0.59 -0.15 1.96 -1.64 0.00 0.00 178.16 178.73 2o5h h GLN 14 N 1.06 0.00 -0.06 1.82 1.08 -0.58 -0.12 115.11 118.31 2o5h h GLN 14 Ca 0.35 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.57 2o5h h GLN 14 Cb 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2o5h h GLN 14 CO -0.11 0.15 0.12 -0.44 -0.95 0.00 0.00 178.83 177.60 2o5h h ASP 15 N 0.00 0.00 0.00 1.46 3.32 -1.09 -3.14 116.42 116.97 2o5h h ASP 15 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2o5h h ASP 15 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2o5h h ASP 15 CO 0.02 0.00 0.00 -2.11 -1.72 0.00 0.00 179.24 175.43 2o5h n ARG 16 N -3.45 2.11 -0.09 3.56 1.85 -0.17 -4.78 116.66 115.70 2o5h n ARG 16 Ca -0.01 -0.30 -0.06 0.00 -1.00 0.00 0.00 57.85 56.47 2o5h n ARG 16 Cb 0.20 -0.80 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 2o5h n ARG 16 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2o5h h LEU 17 N 0.00 -0.41 -0.84 2.89 5.85 -1.22 -0.82 115.31 120.77 2o5h h LEU 17 Ca 0.00 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2o5h h LEU 17 Cb 0.00 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2o5h h LEU 17 CO 0.00 -0.15 0.32 -0.33 -0.34 0.00 0.00 178.44 177.94 2o5h h GLU 18 N -0.05 1.18 0.13 1.25 4.39 -1.87 0.22 114.58 119.83 2o5h h GLU 18 Ca 0.16 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2o5h h GLU 18 Cb 0.30 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2o5h h GLU 18 CO -0.37 0.95 -0.09 1.49 -1.16 0.00 0.00 179.01 179.83 2o5h h GLU 19 N 1.15 -0.20 -0.84 2.33 4.81 -1.81 -0.41 114.58 119.60 2o5h h GLU 19 Ca 0.26 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2o5h h GLU 19 Cb 0.21 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2o5h h GLU 19 CO -0.02 -0.14 0.47 -0.44 -0.73 0.00 0.00 179.01 178.16 2o5h h ASP 20 N -0.21 1.04 -0.09 1.04 3.32 -0.55 -1.86 116.42 119.10 2o5h h ASP 20 Ca -0.01 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2o5h h ASP 20 Cb 0.18 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2o5h h ASP 20 CO 0.00 0.82 -0.01 0.58 -1.72 0.00 0.00 179.24 178.91 2o5h h VAL 21 N 1.17 1.28 -0.33 -1.35 2.07 -0.79 -0.10 116.25 118.20 2o5h h VAL 21 Ca 0.30 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2o5h h VAL 21 Cb 0.00 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 2o5h h VAL 21 CO -0.05 0.25 -0.55 -0.08 0.02 0.00 0.00 177.57 177.16 2o5h h GLU 22 N -0.14 -0.44 -0.13 1.57 4.81 -0.90 0.29 114.58 119.65 2o5h h GLU 22 Ca 0.02 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2o5h h GLU 22 Cb 0.40 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2o5h h GLU 22 CO 0.01 -0.29 -0.19 0.74 -0.73 0.00 0.00 179.01 178.55 2o5h h PHE 23 N -0.45 -0.49 0.00 0.92 -1.00 -1.26 -3.30 116.94 111.36 2o5h h PHE 23 Ca 0.06 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.73 2o5h h PHE 23 Cb 0.62 0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.40 2o5h h PHE 23 CO -0.68 -0.26 -0.92 1.79 -1.61 0.00 0.00 178.31 176.62 2o5h h THR 24 N -0.24 0.79 0.00 -1.55 1.35 -0.57 -3.29 112.91 109.40 2o5h h THR 24 Ca 0.10 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 2o5h h THR 24 Cb 0.38 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2o5h h THR 24 CO -0.27 0.45 0.00 -0.29 -0.25 0.00 0.00 175.52 175.16 2o5h h ILE 25 N 0.00 0.00 0.00 6.82 2.10 -0.52 -1.51 117.51 124.40 2o5h h ILE 25 Ca -0.07 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.80 2o5h h ILE 25 Cb 1.51 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 2o5h h ILE 25 CO 0.06 0.00 0.00 -3.20 -1.08 0.00 0.00 178.15 173.93 2o5h n ASN 26 N -2.69 0.73 -4.51 2.19 2.85 -1.24 -4.92 115.26 107.68 2o5h n ASN 26 Ca -0.02 0.57 -0.24 0.00 -0.11 0.00 0.00 54.58 54.79 2o5h n ASN 26 Cb 0.09 -0.77 -0.11 0.00 1.24 0.00 0.00 39.78 40.24 2o5h n ASN 26 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2o5h s TYR 27 N -3.10 2.17 -0.96 1.20 2.02 -0.57 -5.08 117.35 113.03 2o5h s TYR 27 Ca 0.11 -0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 56.01 2o5h s TYR 27 Cb 0.13 -1.41 0.28 0.00 -0.40 0.00 0.00 41.96 40.55 2o5h s TYR 27 CO 0.58 0.25 1.15 0.39 -1.57 0.00 0.00 175.55 176.35 2o5h n GLU 28 N -0.76 3.59 -3.47 -0.62 1.02 -1.26 -5.05 120.64 114.09 2o5h n GLU 28 Ca -0.04 -4.55 -0.38 0.00 -0.02 0.00 0.00 57.16 52.17 2o5h n GLU 28 Cb 0.66 -2.45 -0.06 0.00 -0.02 0.00 0.00 31.44 29.57 2o5h n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2o5h s LEU 29 N -2.24 4.36 0.87 -4.62 1.43 -1.26 -5.07 118.68 112.16 2o5h s LEU 29 Ca 0.32 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 2o5h s LEU 29 Cb 0.02 -2.55 0.12 0.00 0.03 0.00 0.00 46.19 43.81 2o5h s LEU 29 CO 0.01 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 2o5h s PRO 30 N -0.25 1.44 0.42 1.29 0.04 -1.26 -4.81 135.00 131.88 2o5h s PRO 30 Ca 0.22 0.78 0.08 0.00 0.04 0.00 0.00 61.00 62.13 2o5h s PRO 30 Cb -0.15 -1.83 0.90 0.00 0.04 0.00 0.00 34.50 33.45 2o5h s PRO 30 CO 0.10 -2.10 2.07 -0.07 0.04 0.00 0.00 177.00 177.03 2o5h h LEU 31 N -1.45 0.43 -1.03 -3.56 3.38 -1.95 -1.05 115.31 110.07 2o5h h LEU 31 Ca -0.49 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.52 2o5h h LEU 31 Cb 1.28 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 2o5h h LEU 31 CO 0.56 0.31 0.64 0.77 0.09 0.00 0.00 178.44 180.81 2o5h h SER 32 N 0.51 1.06 -0.17 -0.43 4.64 -1.85 -0.55 113.55 116.75 2o5h h SER 32 Ca 0.14 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 2o5h h SER 32 Cb -0.05 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 2o5h h SER 32 CO -0.03 0.70 -0.31 0.00 -0.87 0.00 0.00 176.83 176.33 2o5h h LEU 34 N 0.57 0.44 -0.65 0.00 3.38 -1.01 -1.02 115.31 117.02 2o5h h LEU 34 Ca 0.07 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.15 2o5h h LEU 34 Cb 0.81 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 2o5h h LEU 34 CO 0.07 0.30 0.30 -0.25 0.09 0.00 0.00 178.44 178.94 2o5h h TRP 35 N 0.57 0.53 -0.28 1.13 2.91 -0.93 -1.99 115.95 117.89 2o5h h TRP 35 Ca 0.25 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.26 2o5h h TRP 35 Cb 0.14 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 2o5h h TRP 35 CO -0.09 0.18 0.01 0.77 -1.03 0.00 0.00 178.44 178.28 2o5h h SER 36 N 0.52 0.39 0.54 2.65 0.02 -0.72 -2.63 113.55 114.32 2o5h h SER 36 Ca 0.32 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2o5h h SER 36 Cb 0.35 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2o5h h SER 36 CO -0.27 0.45 -0.44 0.71 -1.14 0.00 0.00 176.83 176.14 2o5h h THR 37 N 0.41 1.21 -0.08 -2.27 1.35 -0.44 -3.05 112.91 110.03 2o5h h THR 37 Ca 0.09 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 2o5h h THR 37 Cb 0.26 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2o5h h THR 37 CO 0.01 0.43 0.00 2.30 -0.25 0.00 0.00 175.52 178.00 2o5h n ILE 38 N -3.87 0.09 0.24 6.82 -6.64 -1.01 -4.51 119.36 110.49 2o5h n ILE 38 Ca -0.01 -0.39 0.07 0.00 -1.77 0.00 0.00 62.75 60.65 2o5h n ILE 38 Cb 0.48 0.81 0.59 0.00 -1.44 0.00 0.00 39.64 40.08 2o5h n ILE 38 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 2o5h h LYS 39 N 3.21 0.00 0.00 6.28 1.57 -1.39 -0.69 116.57 125.55 2o5h h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2o5h h LYS 39 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2o5h h LYS 39 CO 0.00 0.11 0.00 -0.40 -0.57 0.00 0.00 179.45 178.59 2o5h n ASP 40 N -4.30 0.09 -0.24 0.86 5.75 -1.26 -3.51 116.55 113.93 2o5h n ASP 40 Ca -0.03 0.51 0.03 0.00 -0.01 0.00 0.00 54.79 55.30 2o5h n ASP 40 Cb 0.18 -0.54 0.26 0.00 -1.03 0.00 0.00 41.12 40.00 2o5h n ASP 40 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2o5h h PHE 41 N 0.00 0.95 -1.85 2.11 3.57 -1.43 -3.46 116.94 116.82 2o5h h PHE 41 Ca 0.00 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.63 2o5h h PHE 41 Cb 0.42 -0.32 -0.19 0.00 2.79 0.00 0.00 35.95 38.65 2o5h h PHE 41 CO 0.00 0.54 0.54 0.45 -2.23 0.00 0.00 178.31 177.61 2o5h s SER 42 N -6.20 -0.35 0.11 0.41 0.15 -1.23 -5.01 113.70 101.57 2o5h s SER 42 Ca -0.11 0.21 0.24 0.00 0.70 0.00 0.00 55.95 56.99 2o5h s SER 42 Cb 0.19 0.33 0.28 0.00 -1.71 0.00 0.00 66.02 65.10 2o5h s SER 42 CO 0.79 -0.45 1.26 0.77 1.20 0.00 0.00 173.24 176.80 2o5h h SER 43 N 2.29 0.00 -3.33 5.45 4.64 -1.90 -3.45 113.55 117.25 2o5h h SER 43 Ca -0.19 -0.23 -0.56 0.00 -0.47 0.00 0.00 61.79 60.34 2o5h h SER 43 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2o5h h SER 43 CO 0.30 0.11 0.39 -0.62 -0.87 0.00 0.00 176.83 176.15 2o5h s ASP 44 N -4.24 7.18 0.20 4.97 2.15 -1.26 -4.97 116.67 120.70 2o5h s ASP 44 Ca 0.05 1.44 -0.11 0.00 0.43 0.00 0.00 52.55 54.36 2o5h s ASP 44 Cb 0.13 -2.51 0.21 0.00 -0.30 0.00 0.00 42.92 40.45 2o5h s ASP 44 CO 0.74 -0.32 1.78 0.15 -0.17 0.00 0.00 175.17 177.35 2o5h h PHE 45 N 6.99 0.51 -0.58 -5.34 3.57 -1.99 -1.52 116.94 118.58 2o5h h PHE 45 Ca -0.35 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.09 2o5h h PHE 45 Cb 1.17 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2o5h h PHE 45 CO 0.69 0.22 0.06 0.93 -2.23 0.00 0.00 178.31 177.98 2o5h h GLU 46 N 0.52 0.96 -0.36 1.11 5.08 -1.98 0.23 114.58 120.15 2o5h h GLU 46 Ca 0.27 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2o5h h GLU 46 Cb 0.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2o5h h GLU 46 CO -0.21 0.91 0.04 0.93 -1.00 0.00 0.00 179.01 179.68 2o5h h GLU 47 N 0.90 0.61 -0.53 2.33 5.08 -1.93 -1.45 114.58 119.58 2o5h h GLU 47 Ca 0.18 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2o5h h GLU 47 Cb 0.44 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2o5h h GLU 47 CO 0.02 0.70 0.30 0.87 -1.00 0.00 0.00 179.01 179.89 2o5h h LYS 48 N 0.44 0.56 -0.35 2.33 1.57 -1.12 -1.22 116.57 118.78 2o5h h LYS 48 Ca 0.11 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2o5h h LYS 48 Cb 0.40 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2o5h h LYS 48 CO 0.01 0.37 0.06 1.15 -0.57 0.00 0.00 179.45 180.47 2o5h h THR 49 N 0.58 0.81 -0.23 -0.16 2.02 -0.78 0.12 112.91 115.26 2o5h h THR 49 Ca 0.23 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.37 2o5h h THR 49 Cb 0.09 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2o5h h THR 49 CO -0.13 0.03 0.10 -0.33 0.37 0.00 0.00 175.52 175.56 2o5h h GLU 50 N 0.17 0.21 -0.76 6.66 4.39 -1.02 -1.52 114.58 122.72 2o5h h GLU 50 Ca 0.17 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.89 2o5h h GLU 50 Cb 0.20 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 2o5h h GLU 50 CO -0.23 0.14 0.48 0.00 -1.16 0.00 0.00 179.01 178.24 2o5h h ALA 51 N 1.13 0.99 -0.19 3.43 0.00 -0.78 -2.23 119.26 121.61 2o5h h ALA 51 Ca 0.10 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2o5h h ALA 51 Cb 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2o5h h ALA 51 CO -0.08 0.27 -0.13 0.35 0.00 0.00 0.00 179.25 179.66 2o5h h PHE 52 N 0.93 -0.32 -0.33 0.00 3.57 -0.21 -1.99 116.94 118.58 2o5h h PHE 52 Ca 0.30 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 2o5h h PHE 52 Cb 0.02 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2o5h h PHE 52 CO -0.04 -0.19 -0.15 0.74 -2.23 0.00 0.00 178.31 176.44 2o5h h PHE 53 N -0.13 0.64 0.56 0.41 0.04 -1.04 0.25 116.94 117.68 2o5h h PHE 53 Ca 0.11 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2o5h h PHE 53 Cb 0.30 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.28 2o5h h PHE 53 CO -0.28 0.71 -0.27 0.82 -0.60 0.00 0.00 178.31 178.69 2o5h h ILE 54 N 0.54 0.44 -0.50 -0.55 2.04 -1.17 -0.33 117.51 117.97 2o5h h ILE 54 Ca 0.09 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2o5h h ILE 54 Cb 0.57 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2o5h h ILE 54 CO 0.04 0.01 0.28 0.25 0.00 0.00 0.00 178.15 178.73 2o5h h LEU 55 N -0.81 0.43 0.21 1.44 5.85 -1.18 -2.20 115.31 119.05 2o5h h LEU 55 Ca -0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2o5h h LEU 55 Cb 0.60 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2o5h h LEU 55 CO 0.13 0.30 -0.22 0.15 -0.34 0.00 0.00 178.44 178.46 2o5h h PHE 56 N 0.55 -0.58 -0.86 1.25 3.57 -0.43 -1.01 116.94 119.43 2o5h h PHE 56 Ca 0.21 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.76 2o5h h PHE 56 Cb 0.07 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 2o5h h PHE 56 CO -0.08 -0.32 0.55 0.87 -2.23 0.00 0.00 178.31 177.09 2o5h h LYS 57 N -0.46 1.00 -0.46 1.11 1.57 -1.03 -0.44 116.57 117.85 2o5h h LYS 57 Ca 0.00 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2o5h h LYS 57 Cb 0.44 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2o5h h LYS 57 CO -0.06 0.66 -0.11 1.49 -0.57 0.00 0.00 179.45 180.86 2o5h h GLU 58 N 1.03 0.89 -0.64 3.15 4.57 -1.10 0.46 114.58 122.94 2o5h h GLU 58 Ca 0.36 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 2o5h h GLU 58 Cb 0.09 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 2o5h h GLU 58 CO -0.14 0.98 0.20 -0.07 -1.18 0.00 0.00 179.01 178.80 2o5h h LEU 59 N 0.73 0.90 -0.53 1.64 3.38 -0.96 -1.45 115.31 119.03 2o5h h LEU 59 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2o5h h LEU 59 Cb 0.65 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2o5h h LEU 59 CO 0.04 0.85 0.22 -0.07 0.09 0.00 0.00 178.44 179.58 2o5h h LEU 60 N 0.94 0.73 -0.86 1.67 3.38 -0.73 -3.05 115.31 117.39 2o5h h LEU 60 Ca 0.21 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2o5h h LEU 60 Cb 0.27 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2o5h h LEU 60 CO -0.01 0.69 0.52 0.03 0.09 0.00 0.00 178.44 179.76 2o5h h ARG 61 N 0.72 0.90 0.00 1.13 3.08 -0.47 -2.21 114.38 117.53 2o5h h ARG 61 Ca 0.18 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2o5h h ARG 61 Cb 0.18 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2o5h h ARG 61 CO -0.02 0.60 0.00 0.54 -1.07 0.00 0.00 179.97 180.02 2o5h n ARG 62 N -4.65 0.68 -0.85 0.04 5.12 -0.59 -4.94 116.66 111.48 2o5h n ARG 62 Ca 0.13 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 2o5h n ARG 62 Cb 0.20 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 2o5h n ARG 62 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2o5h n GLY 63 N 0.83 1.21 0.11 -0.13 0.00 -0.83 -4.87 105.19 101.50 2o5h n GLY 63 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2o5h n GLY 63 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2o5h h HIS 64 N 0.00 0.00 -3.57 1.61 2.07 -1.83 -3.44 115.15 109.99 2o5h h HIS 64 Ca 0.00 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.89 2o5h h HIS 64 Cb 0.00 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 29.85 2o5h h HIS 64 CO 0.00 0.61 0.25 -1.17 -3.07 0.00 0.00 177.93 174.55 2o5h s LEU 65 N -6.17 4.24 0.25 6.12 2.96 -1.25 -4.87 118.68 119.95 2o5h s LEU 65 Ca 0.00 0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.14 2o5h s LEU 65 Cb 0.08 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2o5h s LEU 65 CO 0.79 -0.72 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.37 2o5h s LYS 66 N 2.95 1.71 0.02 1.98 3.01 -1.23 -4.67 119.74 123.51 2o5h s LYS 66 Ca 0.27 -1.63 0.06 0.00 -1.01 0.00 0.00 55.97 53.66 2o5h s LYS 66 Cb -0.14 -1.85 -0.02 0.00 -1.01 0.00 0.00 37.83 34.81 2o5h s LYS 66 CO 0.17 0.36 -0.18 -0.51 0.51 0.00 0.00 175.35 175.70 2o5h s LEU 67 N -3.22 2.12 0.15 3.17 1.43 -1.26 -1.36 118.68 119.71 2o5h s LEU 67 Ca 0.27 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2o5h s LEU 67 Cb -0.06 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 2o5h s LEU 67 CO 0.14 0.16 -0.07 0.00 0.23 0.00 0.00 176.35 176.81 2o5h s GLN 68 N -0.88 1.07 -0.00 1.70 1.03 0.43 -1.28 119.66 121.74 2o5h s GLN 68 Ca 0.06 -1.47 0.01 0.00 0.04 0.00 0.00 55.36 54.00 2o5h s GLN 68 Cb -0.08 -0.53 -0.00 0.00 0.03 0.00 0.00 33.01 32.43 2o5h s GLN 68 CO 0.01 0.02 -0.02 0.50 -2.54 0.00 0.00 175.29 173.25 2o5h s ARG 69 N -3.79 0.18 -1.43 9.60 3.52 -0.62 -0.63 118.95 125.78 2o5h s ARG 69 Ca 0.18 -0.08 -0.04 0.00 -0.13 0.00 0.00 55.73 55.67 2o5h s ARG 69 Cb 0.04 -0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.27 2o5h s ARG 69 CO 0.01 0.05 0.32 -0.25 -0.81 0.00 0.00 175.30 174.61 2o5h n ASP 70 N 3.03 -5.03 0.00 -2.12 8.00 -1.26 -1.57 116.55 117.61 2o5h n ASP 70 Ca -0.12 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.23 2o5h n ASP 70 Cb 0.59 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 2o5h n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o5h n GLY 71 N -1.17 1.85 3.51 0.44 0.00 -1.26 -5.03 105.19 103.53 2o5h n GLY 71 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2o5h n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o5h s GLN 72 N -0.09 3.59 0.31 1.61 -1.52 -0.61 -5.08 119.66 117.88 2o5h s GLN 72 Ca 0.00 -0.51 -0.29 0.00 -1.95 0.00 0.00 55.36 52.61 2o5h s GLN 72 Cb 0.00 -2.89 -0.10 0.00 -0.22 0.00 0.00 33.01 29.80 2o5h s GLN 72 CO 0.00 0.29 1.33 0.42 -0.25 0.00 0.00 175.29 177.08 2o5h s ILE 73 N 0.23 2.72 -0.11 1.08 1.01 -1.26 -1.59 121.20 123.28 2o5h s ILE 73 Ca -0.02 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.35 2o5h s ILE 73 Cb -0.14 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 2o5h s ILE 73 CO 0.03 0.16 -0.17 -0.63 0.00 0.00 0.00 174.94 174.32 2o5h s ILE 74 N -0.90 2.68 -0.13 2.92 1.01 -0.40 -4.92 121.20 121.45 2o5h s ILE 74 Ca 0.51 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 2o5h s ILE 74 Cb -0.40 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 2o5h s ILE 74 CO 0.51 0.54 0.29 -0.83 0.00 0.00 0.00 174.94 175.46 2o5h s GLY 75 N 0.21 2.24 0.04 6.18 0.00 -1.26 -4.47 107.32 110.26 2o5h s GLY 75 Ca -0.11 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 43.99 2o5h s GLY 75 CO 0.06 0.31 0.43 0.30 0.00 0.00 0.00 173.10 174.19 2o5h s HIS 76 N 0.08 -0.29 0.72 1.90 3.76 -1.26 -5.09 115.29 115.11 2o5h s HIS 76 Ca 0.17 0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 55.24 2o5h s HIS 76 Cb -0.13 0.23 0.03 0.00 1.11 0.00 0.00 32.58 33.82 2o5h s HIS 76 CO 0.05 -0.58 1.08 0.95 -0.85 0.00 0.00 174.74 175.40 2o5h s THR 77 N -2.40 3.51 0.26 1.30 -4.23 -1.26 -4.82 115.64 108.00 2o5h s THR 77 Ca -0.06 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 2o5h s THR 77 Cb -0.01 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.99 2o5h s THR 77 CO -0.02 -0.59 1.84 -0.65 -0.54 0.00 0.00 174.62 174.66 2o5h h PRO 78 N -0.71 0.95 -0.71 3.99 0.11 -1.94 -0.40 132.00 133.28 2o5h h PRO 78 Ca -0.44 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2o5h h PRO 78 Cb 1.23 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 2o5h h PRO 78 CO 0.53 0.63 0.46 0.93 -0.21 0.00 0.00 178.00 180.35 2o5h h GLU 79 N 0.98 0.90 -0.27 1.05 3.07 -1.95 -1.09 114.58 117.27 2o5h h GLU 79 Ca 0.45 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.21 2o5h h GLU 79 Cb 0.36 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2o5h h GLU 79 CO -0.23 0.60 -0.01 0.93 -1.40 0.00 0.00 179.01 178.89 2o5h h GLU 80 N 0.93 0.48 -0.71 2.33 5.08 -1.72 -1.68 114.58 119.29 2o5h h GLU 80 Ca 0.27 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2o5h h GLU 80 Cb -0.07 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 2o5h h GLU 80 CO -0.07 0.65 0.38 -1.49 -1.00 0.00 0.00 179.01 177.48 2o5h h TRP 81 N 0.25 0.69 -0.36 4.33 -0.00 -0.84 0.15 115.95 120.16 2o5h h TRP 81 Ca 0.07 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.99 2o5h h TRP 81 Cb 0.45 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.39 2o5h h TRP 81 CO 0.04 0.29 0.24 1.49 -0.00 0.00 0.00 178.44 180.50 2o5h h GLU 82 N 0.67 0.48 -0.06 0.49 4.81 -1.08 -1.18 114.58 118.71 2o5h h GLU 82 Ca 0.33 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2o5h h GLU 82 Cb 0.27 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2o5h h GLU 82 CO -0.22 0.32 -0.08 0.37 -0.73 0.00 0.00 179.01 178.67 2o5h h GLN 83 N 0.49 -0.10 -0.46 1.92 -0.00 -0.31 0.02 115.11 116.67 2o5h h GLN 83 Ca 0.13 0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.85 2o5h h GLN 83 Cb -0.05 0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.39 2o5h h GLN 83 CO -0.03 -0.07 0.16 0.82 0.00 0.00 0.00 178.83 179.71 2o5h h ILE 84 N -0.10 0.84 -0.41 2.39 2.04 -0.45 0.04 117.51 121.86 2o5h h ILE 84 Ca 0.05 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.65 2o5h h ILE 84 Cb 0.18 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2o5h h ILE 84 CO -0.12 0.06 -0.33 -0.26 0.00 0.00 0.00 178.15 177.49 2o5h h PHE 85 N 0.33 1.11 -0.51 1.37 -1.00 -1.12 -3.11 116.94 114.00 2o5h h PHE 85 Ca 0.22 -0.31 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 2o5h h PHE 85 Cb 0.23 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 2o5h h PHE 85 CO -0.16 1.13 0.12 0.00 -1.61 0.00 0.00 178.31 177.79 2o5h h ARG 86 N 0.78 0.77 -0.43 1.51 3.08 -0.58 -0.13 114.38 119.39 2o5h h ARG 86 Ca 0.08 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.06 2o5h h ARG 86 Cb 0.92 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2o5h h ARG 86 CO 0.09 0.70 0.30 1.49 -1.07 0.00 0.00 179.97 181.47 2o5h h GLU 87 N 0.75 0.20 -0.04 0.04 4.81 -0.92 -2.67 114.58 116.74 2o5h h GLU 87 Ca 0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2o5h h GLU 87 Cb 0.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2o5h h GLU 87 CO -0.00 0.13 0.00 1.33 -0.73 0.00 0.00 179.01 179.74 2o5h n VAL 88 N -4.46 0.61 -1.79 0.32 0.24 -1.08 -5.06 118.33 107.10 2o5h n VAL 88 Ca 0.06 -0.80 -0.41 0.00 -2.04 0.00 0.00 64.34 61.15 2o5h n VAL 88 Cb 0.36 0.71 -0.01 0.00 -1.47 0.00 0.00 33.84 33.43 2o5h n VAL 88 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2o5h s TRP 89 N -0.68 2.64 0.37 6.34 -0.11 -0.08 -4.88 118.94 122.53 2o5h s TRP 89 Ca 0.04 1.04 -0.26 0.00 1.22 0.00 0.00 56.10 58.14 2o5h s TRP 89 Cb 0.02 -4.04 -0.12 0.00 -1.50 0.00 0.00 33.47 27.83 2o5h s TRP 89 CO 0.03 -3.19 1.01 -2.30 -4.62 0.00 0.00 176.95 167.88 2o5h n PRO 90 N 1.00 1.38 0.12 5.86 -0.02 -1.26 -4.89 135.00 137.19 2o5h n PRO 90 Ca 0.03 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 2o5h n PRO 90 Cb 0.39 -1.97 0.40 0.00 -0.02 0.00 0.00 33.50 32.30 2o5h n PRO 90 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2o5h h GLU 91 N 1.75 0.24 -4.85 -0.52 5.08 -1.95 -3.44 114.58 110.88 2o5h h GLU 91 Ca -0.43 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 57.60 2o5h h GLU 91 Cb 1.34 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.39 2o5h h GLU 91 CO 0.58 0.36 -0.71 0.71 -1.00 0.00 0.00 179.01 178.95 2o5h s TYR 92 N -4.77 1.03 0.46 4.33 1.51 -1.26 -5.05 117.35 113.60 2o5h s TYR 92 Ca -0.06 -0.77 0.13 0.00 -1.01 0.00 0.00 57.07 55.36 2o5h s TYR 92 Cb 0.16 -0.56 1.06 0.00 -0.11 0.00 0.00 41.96 42.51 2o5h s TYR 92 CO 0.73 -0.04 2.05 1.49 -1.11 0.00 0.00 175.55 178.67 2o5h h GLU 93 N 3.18 0.31 -5.82 -0.62 4.81 -1.96 -3.43 114.58 111.05 2o5h h GLU 93 Ca -0.36 -0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.35 2o5h h GLU 93 Cb 1.18 -0.07 -0.20 0.00 0.63 0.00 0.00 28.75 30.29 2o5h h GLU 93 CO 0.60 0.21 -0.80 0.96 -0.73 0.00 0.00 179.01 179.25 2o5h s ILE 94 N -5.31 1.55 -0.14 2.32 -4.36 -1.26 -2.17 121.20 111.82 2o5h s ILE 94 Ca -0.07 -1.61 0.02 0.00 -0.26 0.00 0.00 60.65 58.74 2o5h s ILE 94 Cb 0.18 -1.52 0.01 0.00 1.25 0.00 0.00 42.46 42.38 2o5h s ILE 94 CO 0.72 -0.21 -0.21 -0.70 0.24 0.00 0.00 174.94 174.78 2o5h s GLU 95 N -2.20 3.04 0.49 0.37 2.12 0.29 -4.95 118.70 117.85 2o5h s GLU 95 Ca 0.07 -0.85 -0.23 0.00 0.36 0.00 0.00 54.97 54.32 2o5h s GLU 95 Cb -0.08 -2.45 -0.07 0.00 0.26 0.00 0.00 34.13 31.80 2o5h s GLU 95 CO 0.04 -0.00 1.33 -1.25 -0.54 0.00 0.00 175.26 174.84 2o5h s PRO 96 N 0.80 3.48 0.27 4.30 0.04 -1.26 0.09 135.00 142.70 2o5h s PRO 96 Ca -0.07 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 2o5h s PRO 96 Cb -0.16 -2.44 -0.11 0.00 0.04 0.00 0.00 34.50 31.84 2o5h s PRO 96 CO -0.01 -0.91 1.57 1.21 0.04 0.00 0.00 177.00 178.90 2o5h s ASN 97 N -0.89 6.45 0.25 6.66 3.84 -1.26 -4.78 114.94 125.20 2o5h s ASN 97 Ca 0.66 2.86 0.18 0.00 0.21 0.00 0.00 52.86 56.77 2o5h s ASN 97 Cb -0.39 -2.63 0.94 0.00 -0.55 0.00 0.00 41.25 38.62 2o5h s ASN 97 CO 0.48 -0.86 1.56 -0.81 -2.79 0.00 0.00 177.10 174.68 2o5h n PRO 98 N 2.46 0.12 -3.53 0.43 -0.04 -1.26 -4.01 135.00 129.18 2o5h n PRO 98 Ca 0.09 0.56 -0.41 0.00 -0.04 0.00 0.00 63.50 63.69 2o5h n PRO 98 Cb 0.38 -1.85 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 2o5h n PRO 98 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o5h s LEU 99 N -4.21 4.71 0.31 1.53 1.43 -1.26 -5.05 118.68 116.14 2o5h s LEU 99 Ca -0.00 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 2o5h s LEU 99 Cb 0.06 -2.12 -0.12 0.00 0.03 0.00 0.00 46.19 44.05 2o5h s LEU 99 CO 0.21 -0.33 1.50 -0.81 0.23 0.00 0.00 176.35 177.16 2o5h n PRO 100 N 5.10 2.52 0.00 1.29 -0.04 -1.26 -2.83 135.00 139.78 2o5h n PRO 100 Ca -0.12 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2o5h n PRO 100 Cb 0.48 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2o5h n PRO 100 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2o5h n GLY 101 N 1.59 2.21 3.88 0.55 0.00 -1.26 -5.03 105.19 107.12 2o5h n GLY 101 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2o5h n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o5h s TYR 102 N -2.29 2.41 0.14 1.61 2.02 -1.13 -4.98 117.35 115.13 2o5h s TYR 102 Ca 0.00 0.64 -0.31 0.00 -0.37 0.00 0.00 57.07 57.03 2o5h s TYR 102 Cb 0.00 -3.64 -0.09 0.00 -0.40 0.00 0.00 41.96 37.83 2o5h s TYR 102 CO 0.00 -2.20 1.43 0.00 -1.57 0.00 0.00 175.55 173.21 2o5h s ALA 103 N -3.59 3.64 1.07 3.71 0.00 -1.26 -4.56 121.76 120.77 2o5h s ALA 103 Ca 0.66 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.67 2o5h s ALA 103 Cb -0.10 -3.55 0.23 0.00 0.00 0.00 0.00 23.12 19.69 2o5h s ALA 103 CO 0.51 -0.66 1.09 -1.25 0.00 0.00 0.00 175.76 175.45 2o5h s PRO 104 N 0.92 -0.16 -0.14 0.00 0.04 -1.26 -4.24 135.00 130.16 2o5h s PRO 104 Ca 0.65 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 2o5h s PRO 104 Cb -0.39 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2o5h s PRO 104 CO 0.32 -3.10 0.25 -0.06 0.04 0.00 0.00 177.00 174.45 2o5h s PHE 105 N -2.92 3.51 0.47 0.56 0.08 0.11 -4.90 117.98 114.89 2o5h s PHE 105 Ca 0.67 0.59 0.07 0.00 0.12 0.00 0.00 56.93 58.37 2o5h s PHE 105 Cb -0.17 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2o5h s PHE 105 CO 0.58 0.38 0.38 0.16 -0.10 0.00 0.00 175.22 176.62 2o5h s ASP 106 N 0.02 4.81 0.30 1.36 1.47 -1.26 -0.55 116.67 122.81 2o5h s ASP 106 Ca 0.16 -0.98 0.05 0.00 1.18 0.00 0.00 52.55 52.96 2o5h s ASP 106 Cb -0.13 -0.16 0.47 0.00 -0.34 0.00 0.00 42.92 42.76 2o5h s ASP 106 CO 0.04 -0.83 1.73 -0.29 0.68 0.00 0.00 175.17 176.49 2o5h h ILE 107 N 0.94 1.28 0.00 2.11 6.09 -1.77 -1.60 117.51 124.56 2o5h h ILE 107 Ca -0.39 -1.36 0.00 0.00 -1.37 0.00 0.00 64.86 61.74 2o5h h ILE 107 Cb 1.28 1.52 0.00 0.00 0.47 0.00 0.00 36.82 40.09 2o5h h ILE 107 CO 0.58 0.41 0.00 0.61 -3.07 0.00 0.00 178.15 176.69 2o5h n GLY 108 N -0.32 0.00 2.52 8.18 0.00 -1.26 -1.15 105.19 113.16 2o5h n GLY 108 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2o5h n GLY 108 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2o5h n TRP 110 N -0.01 0.00 0.28 1.61 -0.00 -0.60 -1.96 117.44 116.76 2o5h n TRP 110 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.66 2o5h n TRP 110 Cb 0.00 0.00 0.77 0.00 -0.00 0.00 0.00 31.31 32.08 2o5h n TRP 110 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2o5h h LEU 111 N 0.00 0.00 0.07 5.87 3.38 -1.41 0.16 115.31 123.38 2o5h h LEU 111 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2o5h h LEU 111 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2o5h h LEU 111 CO 0.00 0.08 -1.55 0.74 0.09 0.00 0.00 178.44 177.80 2o5h h THR 112 N 0.00 1.09 0.00 0.22 2.02 -1.65 -3.42 112.91 111.17 2o5h h THR 112 Ca -0.00 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.36 2o5h h THR 112 Cb 0.38 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2o5h h THR 112 CO 0.01 0.75 0.00 1.33 0.37 0.00 0.00 175.52 177.98 2o5h n VAL 113 N -3.32 0.00 0.06 3.16 0.24 -1.10 -4.86 118.33 112.51 2o5h n VAL 113 Ca -0.16 -0.15 0.01 0.00 -2.04 0.00 0.00 64.34 62.00 2o5h n VAL 113 Cb 1.03 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.45 2o5h n VAL 113 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2o5h n GLU 114 N -0.28 0.30 -2.22 7.34 -0.58 0.53 -5.06 120.64 120.67 2o5h n GLU 114 Ca 0.00 -0.50 -0.35 0.00 -0.42 0.00 0.00 57.16 55.89 2o5h n GLU 114 Cb 0.01 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2o5h n GLU 114 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2o5h s ALA 115 N -0.27 2.69 0.53 0.62 0.00 -0.91 -4.94 121.76 119.48 2o5h s ALA 115 Ca 0.02 0.75 0.19 0.00 0.00 0.00 0.00 51.96 52.92 2o5h s ALA 115 Cb 0.01 -3.34 1.36 0.00 0.00 0.00 0.00 23.12 21.15 2o5h s ALA 115 CO 0.02 -0.79 2.13 -1.35 0.00 0.00 0.00 175.76 175.78 2o5h h PRO 116 N 1.06 0.00 -3.15 0.00 0.11 -1.93 -3.45 132.00 124.64 2o5h h PRO 116 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2o5h h PRO 116 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 2o5h h PRO 116 CO 0.57 0.00 0.13 0.00 -0.21 0.00 0.00 178.00 178.49 2o5h s ALA 117 N -5.00 -1.14 0.00 -0.75 0.00 -1.26 -4.76 121.76 108.85 2o5h s ALA 117 Ca -0.05 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.79 2o5h s ALA 117 Cb 0.17 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 2o5h s ALA 117 CO 0.66 -0.89 -0.11 0.71 0.00 0.00 0.00 175.76 176.13 2o5h s TYR 118 N -3.88 1.00 0.29 0.00 2.02 0.19 -4.88 117.35 112.10 2o5h s TYR 118 Ca 0.09 -0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 2o5h s TYR 118 Cb -0.03 -0.63 -0.12 0.00 -0.40 0.00 0.00 41.96 40.78 2o5h s TYR 118 CO -0.00 -0.01 1.49 0.00 -1.57 0.00 0.00 175.55 175.46 2o5h n ALA 119 N 2.56 1.97 -2.73 3.71 0.00 -1.26 -0.42 120.51 124.34 2o5h n ALA 119 Ca -0.15 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 2o5h n ALA 119 Cb 0.56 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 17.52 2o5h n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2o5h s VAL 120 N -0.30 0.35 0.00 0.00 0.11 -0.46 -4.86 120.40 115.25 2o5h s VAL 120 Ca 0.63 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 2o5h s VAL 120 Cb -0.55 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 2o5h s VAL 120 CO 0.52 -0.56 0.00 0.79 -3.33 0.00 0.00 175.10 172.52