#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry s SER 2 N 0.00 6.39 0.03 1.61 0.01 -1.26 -4.83 113.70 115.65 2cry s SER 2 Ca 0.00 -1.14 -0.21 0.00 1.31 0.00 0.00 55.95 55.91 2cry s SER 2 Cb 0.00 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.51 2cry s SER 2 CO 0.00 -1.61 1.31 0.77 0.41 0.00 0.00 173.24 174.12 2cry h SER 3 N 9.87 0.35 0.00 2.44 4.64 -2.13 -3.50 113.55 125.22 2cry h SER 3 Ca 0.05 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2cry h SER 3 Cb 1.02 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2cry h SER 3 CO 1.38 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 178.73 2cry n GLY 4 N 0.27 0.22 3.75 -0.77 0.00 -1.26 -5.04 105.19 102.36 2cry n GLY 4 Ca -0.07 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2cry n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 5 N -4.00 5.27 -0.15 1.61 0.01 -1.26 -4.99 113.70 110.19 2cry s SER 5 Ca 0.00 2.48 -0.15 0.00 1.31 0.00 0.00 55.95 59.58 2cry s SER 5 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2cry s SER 5 CO 0.00 -1.55 -0.30 -1.20 0.41 0.00 0.00 173.24 170.61 2cry n SER 6 N -1.37 1.71 0.00 2.44 7.64 -1.26 -5.08 113.62 117.69 2cry n SER 6 Ca 0.12 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2cry n SER 6 Cb 0.48 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2cry n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cry n GLY 7 N 1.59 1.58 3.85 0.23 0.00 -1.26 -5.02 105.19 106.16 2cry n GLY 7 Ca -0.12 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2cry n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cry s THR 8 N 0.00 3.05 -0.16 2.61 -4.23 -1.26 -5.12 115.64 110.53 2cry s THR 8 Ca 0.00 -1.39 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 2cry s THR 8 Cb 0.00 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.81 2cry s THR 8 CO 0.00 -0.09 0.03 -0.76 -0.54 0.00 0.00 174.62 173.26 2cry s LEU 9 N -4.04 0.97 0.30 4.79 1.43 -1.26 -5.14 118.68 115.73 2cry s LEU 9 Ca 0.44 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 2cry s LEU 9 Cb -0.04 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.55 2cry s LEU 9 CO 0.27 -0.27 0.77 0.28 0.23 0.00 0.00 176.35 177.62 2cry s THR 10 N 1.90 4.58 -0.02 5.49 -1.32 -1.26 -5.08 115.64 119.93 2cry s THR 10 Ca 0.01 1.18 0.02 0.00 -1.21 0.00 0.00 61.69 61.69 2cry s THR 10 Cb -0.16 -3.72 0.01 0.00 -1.51 0.00 0.00 72.50 67.12 2cry s THR 10 CO -0.07 -0.05 -0.06 0.68 -2.21 0.00 0.00 174.62 172.91 2cry s VAL 11 N -1.83 0.58 -0.01 5.08 -7.23 -1.26 -5.15 120.40 110.58 2cry s VAL 11 Ca 0.51 -0.25 0.08 0.00 -1.81 0.00 0.00 61.98 60.51 2cry s VAL 11 Cb -0.13 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 2cry s VAL 11 CO 0.19 0.19 -0.25 0.20 -0.31 0.00 0.00 175.10 175.12 2cry s ASN 12 N 0.25 3.14 0.00 4.85 0.01 -1.26 -4.72 114.94 117.21 2cry s ASN 12 Ca -0.03 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 2cry s ASN 12 Cb -0.08 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.21 2cry s ASN 12 CO 0.00 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 2cry n GLY 13 N 2.35 0.88 3.71 0.66 0.00 -0.36 -4.97 105.19 107.47 2cry n GLY 13 Ca -0.16 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 2cry n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 14 N -1.56 1.11 -0.02 1.61 0.04 -1.26 -4.16 135.00 130.75 2cry s PRO 14 Ca 0.00 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 2cry s PRO 14 Cb 0.00 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2cry s PRO 14 CO 0.00 -2.33 1.46 -1.25 0.04 0.00 0.00 177.00 174.93 2cry s PRO 15 N -4.94 4.25 -0.58 0.56 0.04 -1.26 -4.48 135.00 128.59 2cry s PRO 15 Ca 0.64 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.61 2cry s PRO 15 Cb -0.18 -3.68 0.15 0.00 0.04 0.00 0.00 34.50 30.83 2cry s PRO 15 CO 0.57 -0.66 0.45 0.42 0.04 0.00 0.00 177.00 177.82 2cry s ILE 16 N 2.89 4.32 -0.31 0.56 1.01 -1.26 -4.50 121.20 123.91 2cry s ILE 16 Ca 0.66 -2.24 -0.29 0.00 0.00 0.00 0.00 60.65 58.78 2cry s ILE 16 Cb -0.31 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 2cry s ILE 16 CO 0.26 -0.85 1.44 -0.63 0.00 0.00 0.00 174.94 175.16 2cry s ILE 17 N 0.74 3.92 0.00 2.92 1.01 -1.26 -1.54 121.20 126.99 2cry s ILE 17 Ca 0.11 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2cry s ILE 17 Cb -0.21 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2cry s ILE 17 CO -0.03 -0.50 0.30 -0.24 0.00 0.00 0.00 174.94 174.46 2cry n SER 18 N 8.31 0.00 -2.40 3.58 2.88 0.42 -4.93 113.62 121.48 2cry n SER 18 Ca 0.17 0.43 0.01 0.00 -1.33 0.00 0.00 58.87 58.15 2cry n SER 18 Cb 0.47 -0.23 0.01 0.00 -0.75 0.00 0.00 64.21 63.71 2cry n SER 18 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cry n SER 19 N -1.18 -0.66 -4.51 -3.46 7.64 -1.26 -4.98 113.62 105.21 2cry n SER 19 Ca 0.00 -1.18 -0.29 0.00 1.01 0.00 0.00 58.87 58.41 2cry n SER 19 Cb 0.00 1.03 -0.09 0.00 -1.01 0.00 0.00 64.21 64.14 2cry n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2cry s THR 20 N -2.12 1.14 -0.01 0.44 -4.23 -1.26 -1.05 115.64 108.55 2cry s THR 20 Ca 0.15 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2cry s THR 20 Cb -0.01 -2.44 -0.27 0.00 1.34 0.00 0.00 72.50 71.13 2cry s THR 20 CO 0.00 0.00 0.79 1.56 -0.54 0.00 0.00 174.62 176.43 2cry h GLN 21 N 1.65 0.21 -6.48 3.99 7.50 -1.90 -3.48 115.11 116.60 2cry h GLN 21 Ca -0.41 -0.36 -0.43 0.00 0.50 0.00 0.00 58.65 57.95 2cry h GLN 21 Cb 1.28 0.13 -0.14 0.00 0.05 0.00 0.00 27.48 28.81 2cry h GLN 21 CO 0.70 1.04 -0.67 -2.37 -1.50 0.00 0.00 178.83 176.02 2cry n THR 22 N -3.40 -0.75 -0.46 -0.54 5.66 -1.26 -4.84 114.28 108.70 2cry n THR 22 Ca -0.18 -0.35 -0.18 0.00 -3.05 0.00 0.00 64.05 60.29 2cry n THR 22 Cb 1.04 -0.73 0.17 0.00 -1.55 0.00 0.00 70.33 69.26 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cry n GLN 23 N -3.50 -2.78 -1.31 1.09 0.00 -1.26 -4.70 117.38 104.92 2cry n GLN 23 Ca -0.22 -0.83 -0.30 0.00 0.00 0.00 0.00 57.00 55.66 2cry n GLN 23 Cb 0.48 -1.53 -0.07 0.00 0.00 0.00 0.00 30.24 29.11 2cry n GLN 23 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 2cry n HIS 24 N -4.64 1.61 -1.45 2.61 1.44 -1.26 -4.47 115.22 109.06 2cry n HIS 24 Ca 0.08 -2.47 -0.57 0.00 -2.01 0.00 0.00 57.72 52.75 2cry n HIS 24 Cb 0.36 -2.05 -0.08 0.00 0.12 0.00 0.00 29.99 28.33 2cry n HIS 24 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2cry n ALA 25 N 2.82 -2.06 -2.50 1.59 0.00 -1.16 -3.61 120.51 115.58 2cry n ALA 25 Ca 0.63 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 54.32 2cry n ALA 25 Cb 0.47 -1.63 0.13 0.00 0.00 0.00 0.00 19.45 18.43 2cry n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cry n LEU 26 N 2.60 0.00 -4.76 0.00 7.99 -1.26 -4.15 117.00 117.42 2cry n LEU 26 Ca 0.23 -2.00 -0.40 0.00 -0.01 0.00 0.00 56.01 53.83 2cry n LEU 26 Cb -0.00 -0.71 -0.06 0.00 -0.11 0.00 0.00 43.42 42.54 2cry n LEU 26 CO 0.69 -1.06 0.60 -2.28 -1.51 0.00 0.00 177.39 173.82 2cry s HIS 27 N -3.22 3.95 -0.88 -1.77 5.65 -1.26 -3.76 115.29 114.00 2cry s HIS 27 Ca 0.68 1.82 -0.02 0.00 0.25 0.00 0.00 55.06 57.78 2cry s HIS 27 Cb -0.03 -2.92 0.00 0.00 -1.18 0.00 0.00 32.58 28.45 2cry s HIS 27 CO 0.45 0.46 0.33 0.41 -0.65 0.00 0.00 174.74 175.74 2cry n GLY 28 N 1.58 0.00 2.99 1.59 0.00 -1.26 -5.02 105.19 105.07 2cry n GLY 28 Ca -0.03 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2cry n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cry n GLU 29 N -2.56 0.49 -3.59 1.61 -0.58 -1.25 -5.00 120.64 109.76 2cry n GLU 29 Ca -0.07 -3.09 -0.38 0.00 -0.42 0.00 0.00 57.16 53.21 2cry n GLU 29 Cb 0.57 2.10 -0.10 0.00 -0.57 0.00 0.00 31.44 33.43 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cry s LYS 30 N -3.33 3.99 -1.20 3.49 1.02 -1.26 -3.50 119.74 118.96 2cry s LYS 30 Ca 0.28 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.86 2cry s LYS 30 Cb 0.01 -3.63 0.19 0.00 -0.52 0.00 0.00 37.83 33.88 2cry s LYS 30 CO 0.19 -0.12 1.40 0.41 -0.92 0.00 0.00 175.35 176.32 2cry n GLY 31 N 4.81 3.53 3.64 -3.33 0.00 -1.25 -4.80 105.19 107.79 2cry n GLY 31 Ca -0.14 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 2cry n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cry s GLN 32 N 1.13 4.02 -0.48 1.61 0.74 -1.25 -3.97 119.66 121.46 2cry s GLN 32 Ca 0.41 1.36 -0.05 0.00 0.05 0.00 0.00 55.36 57.13 2cry s GLN 32 Cb -0.03 -3.84 0.13 0.00 1.10 0.00 0.00 33.01 30.36 2cry s GLN 32 CO -0.01 -0.99 0.31 0.42 -0.55 0.00 0.00 175.29 174.47 2cry s ILE 33 N 4.08 3.72 -0.01 -2.34 1.01 0.51 -4.68 121.20 123.49 2cry s ILE 33 Ca 0.55 -2.14 -0.24 0.00 0.00 0.00 0.00 60.65 58.82 2cry s ILE 33 Cb -0.18 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2cry s ILE 33 CO 0.20 -0.76 0.71 -0.75 0.00 0.00 0.00 174.94 174.34 2cry s LYS 34 N 0.97 4.44 -0.14 2.79 2.20 -1.26 -1.63 119.74 127.11 2cry s LYS 34 Ca 0.09 0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 56.60 2cry s LYS 34 Cb -0.23 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2cry s LYS 34 CO -0.03 0.20 -0.00 0.00 -0.36 0.00 0.00 175.35 175.15 2cry s PHE 36 N 0.00 3.37 -0.67 0.00 0.40 -0.22 -3.00 117.98 117.87 2cry s PHE 36 Ca 0.02 -1.77 -0.22 0.00 -0.60 0.00 0.00 56.93 54.36 2cry s PHE 36 Cb -0.13 -4.23 0.07 0.00 0.51 0.00 0.00 43.02 39.25 2cry s PHE 36 CO 0.02 -1.38 0.96 0.42 0.70 0.00 0.00 175.22 175.93 2cry s ILE 37 N 1.87 4.37 -0.10 0.64 1.01 -0.88 -0.44 121.20 127.67 2cry s ILE 37 Ca 0.35 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 2cry s ILE 37 Cb -0.05 -4.68 0.08 0.00 0.01 0.00 0.00 42.46 37.82 2cry s ILE 37 CO -0.06 -1.44 1.80 0.54 0.00 0.00 0.00 174.94 175.78 2cry n ARG 38 N 7.59 1.25 -2.45 2.79 1.74 -0.59 -1.06 116.66 125.93 2cry n ARG 38 Ca -0.03 -0.50 -0.39 0.00 -0.77 0.00 0.00 57.85 56.16 2cry n ARG 38 Cb 0.45 -1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 30.66 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2cry s SER 39 N 1.23 6.93 -0.29 0.55 0.15 -1.26 -4.31 113.70 116.70 2cry s SER 39 Ca 0.10 2.22 0.02 0.00 0.70 0.00 0.00 55.95 58.99 2cry s SER 39 Cb 0.08 -2.61 0.19 0.00 -1.71 0.00 0.00 66.02 61.97 2cry s SER 39 CO 0.00 -0.38 0.59 -0.89 1.20 0.00 0.00 173.24 173.76 2cry s THR 40 N -1.37 -0.98 1.01 6.45 2.01 -1.26 -3.85 115.64 117.65 2cry s THR 40 Ca 0.51 -0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.38 2cry s THR 40 Cb -0.29 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.43 2cry s THR 40 CO 0.37 -0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 173.22 2cry s PRO 41 N 2.83 0.30 0.85 4.92 0.04 -1.26 -1.22 135.00 141.46 2cry s PRO 41 Ca 0.15 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 2cry s PRO 41 Cb -0.13 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.79 2cry s PRO 41 CO -0.24 -2.81 1.09 -1.25 0.04 0.00 0.00 177.00 173.83 2cry s PRO 42 N -4.97 1.60 0.88 0.56 0.04 -1.25 -4.74 135.00 127.13 2cry s PRO 42 Ca 0.66 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2cry s PRO 42 Cb -0.19 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.64 2cry s PRO 42 CO 0.58 -2.04 1.09 -1.25 0.04 0.00 0.00 177.00 175.42 2cry s PRO 43 N -4.92 1.35 -0.10 0.56 0.04 -1.26 -4.85 135.00 125.82 2cry s PRO 43 Ca 0.63 0.85 0.18 0.00 0.04 0.00 0.00 61.00 62.69 2cry s PRO 43 Cb -0.18 -1.82 -0.26 0.00 0.04 0.00 0.00 34.50 32.28 2cry s PRO 43 CO 0.57 -2.18 0.25 -0.25 0.04 0.00 0.00 177.00 175.42 2cry n ASP 44 N -3.85 0.61 -3.92 6.66 8.00 0.64 -4.95 116.55 119.75 2cry n ASP 44 Ca 0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 2cry n ASP 44 Cb 0.55 1.44 -0.12 0.00 -0.02 0.00 0.00 41.12 42.98 2cry n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2cry s ARG 45 N -2.91 0.26 -0.02 -1.24 3.52 -1.00 -5.02 118.95 112.55 2cry s ARG 45 Ca -0.08 -0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 55.09 2cry s ARG 45 Cb 0.09 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.59 2cry s ARG 45 CO 0.77 -0.05 0.18 0.42 -0.81 0.00 0.00 175.30 175.81 2cry s ILE 46 N -0.97 0.06 0.01 4.11 1.01 -1.26 -0.57 121.20 123.59 2cry s ILE 46 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2cry s ILE 46 Cb -0.06 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 2cry s ILE 46 CO -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 174.94 174.64 2cry s ALA 47 N -1.05 0.13 -0.40 9.38 0.00 -0.12 -4.53 121.76 125.17 2cry s ALA 47 Ca -0.11 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2cry s ALA 47 Cb -0.06 0.07 0.11 0.00 0.00 0.00 0.00 23.12 23.24 2cry s ALA 47 CO 0.02 -0.07 0.13 -1.58 0.00 0.00 0.00 175.76 174.25 2cry s TRP 48 N -0.82 3.61 -0.02 0.00 0.52 0.22 -1.95 118.94 120.50 2cry s TRP 48 Ca -0.08 -2.98 0.06 0.00 0.02 0.00 0.00 56.10 53.12 2cry s TRP 48 Cb -0.06 -2.95 -0.01 0.00 -1.15 0.00 0.00 33.47 29.30 2cry s TRP 48 CO -0.00 -0.90 -0.19 -1.54 0.02 0.00 0.00 176.95 174.33 2cry s SER 49 N 0.72 2.30 -0.09 2.95 1.04 -1.08 -0.46 113.70 119.09 2cry s SER 49 Ca 0.12 -0.36 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 2cry s SER 49 Cb -0.21 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 2cry s SER 49 CO -0.06 0.23 -0.23 -2.67 0.98 0.00 0.00 173.24 171.49 2cry n TRP 50 N 2.68 0.00 0.00 5.02 2.14 -1.17 -2.29 117.44 123.83 2cry n TRP 50 Ca -0.15 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.42 2cry n TRP 50 Cb 0.53 -0.34 0.00 0.00 -0.81 0.00 0.00 31.31 30.70 2cry n TRP 50 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2cry n LYS 51 N -4.14 0.00 0.00 -2.67 4.76 -1.26 -4.73 118.16 110.12 2cry n LYS 51 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2cry n LYS 51 Cb 0.35 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.52 2cry n LYS 51 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2cry n GLU 52 N -1.83 3.52 -3.24 1.97 4.71 -1.26 -5.03 120.64 119.49 2cry n GLU 52 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.76 2cry n GLU 52 Cb 0.00 -0.67 -0.06 0.00 -1.01 0.00 0.00 31.44 29.71 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2cry s ASN 53 N -1.26 6.93 -0.10 1.62 0.01 -1.26 -5.07 114.94 115.81 2cry s ASN 53 Ca 0.00 1.11 0.01 0.00 -0.71 0.00 0.00 52.86 53.28 2cry s ASN 53 Cb 0.00 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.33 2cry s ASN 53 CO 0.00 0.11 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.87 2cry s VAL 54 N -0.18 1.37 -0.19 1.60 1.01 -1.26 -3.02 120.40 119.72 2cry s VAL 54 Ca 0.30 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2cry s VAL 54 Cb -0.18 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 34.97 2cry s VAL 54 CO 0.16 0.42 -0.12 -0.22 0.00 0.00 0.00 175.10 175.34 2cry s LEU 55 N 1.03 2.26 -0.18 3.92 2.96 0.39 -4.91 118.68 124.16 2cry s LEU 55 Ca -0.06 -0.85 -0.23 0.00 -0.22 0.00 0.00 54.13 52.77 2cry s LEU 55 Cb -0.15 -1.26 -0.20 0.00 0.50 0.00 0.00 46.19 45.08 2cry s LEU 55 CO -0.02 -0.13 0.38 -0.33 -1.32 0.00 0.00 176.35 174.94 2cry h GLU 56 N 7.97 0.00 -1.90 1.98 5.08 -1.85 0.63 114.58 126.49 2cry h GLU 56 Ca -0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2cry h GLU 56 Cb 1.10 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.15 2cry h GLU 56 CO 0.49 0.92 0.33 -1.54 -1.00 0.00 0.00 179.01 178.21 2cry s SER 57 N -6.54 -0.54 0.00 1.42 1.04 -1.26 -4.71 113.70 103.11 2cry s SER 57 Ca -0.24 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2cry s SER 57 Cb 0.02 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2cry s SER 57 CO 0.59 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2cry n GLY 58 N 0.75 -0.94 2.99 7.32 0.00 -1.23 -4.92 105.19 109.17 2cry n GLY 58 Ca -0.15 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 2cry n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 59 N 0.00 1.95 -0.12 2.61 2.01 -1.26 -1.68 115.64 119.15 2cry s THR 59 Ca 0.00 -1.77 -0.01 0.00 0.31 0.00 0.00 61.69 60.22 2cry s THR 59 Cb 0.00 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 2cry s THR 59 CO 0.00 -0.31 -0.09 -0.55 -0.69 0.00 0.00 174.62 172.99 2cry s SER 60 N 1.14 4.40 0.29 3.53 0.15 0.12 -4.92 113.70 118.42 2cry s SER 60 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2cry s SER 60 Cb -0.19 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 2cry s SER 60 CO -0.08 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2cry n GLY 61 N 3.21 0.41 2.26 9.45 0.00 -1.26 -0.05 105.19 119.21 2cry n GLY 61 Ca -0.18 0.59 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 2cry n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cry n ARG 62 N 0.00 2.19 -3.91 1.61 1.74 -1.26 -4.97 116.66 112.06 2cry n ARG 62 Ca 0.00 -3.57 -0.13 0.00 -0.77 0.00 0.00 57.85 53.38 2cry n ARG 62 Cb 0.00 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 29.62 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cry s TYR 63 N -3.31 0.08 -0.23 -1.55 2.02 0.92 -3.15 117.35 112.14 2cry s TYR 63 Ca 0.37 -0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 2cry s TYR 63 Cb 0.36 -0.08 0.07 0.00 -0.40 0.00 0.00 41.96 41.92 2cry s TYR 63 CO -0.03 -0.01 0.04 0.99 -1.57 0.00 0.00 175.55 174.97 2cry s THR 64 N 0.08 0.75 -0.01 -0.71 2.01 0.48 -0.70 115.64 117.54 2cry s THR 64 Ca -0.01 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 60.92 2cry s THR 64 Cb -0.02 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2cry s THR 64 CO -0.00 -0.34 0.52 -0.69 -0.69 0.00 0.00 174.62 173.42 2cry s VAL 65 N 1.73 4.96 -0.14 3.82 1.01 -0.68 -1.25 120.40 129.86 2cry s VAL 65 Ca 0.02 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 2cry s VAL 65 Cb -0.17 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.42 2cry s VAL 65 CO -0.13 0.46 0.31 -1.61 0.00 0.00 0.00 175.10 174.13 2cry s GLU 66 N -0.40 0.24 -0.08 2.72 2.02 0.13 -3.48 118.70 119.85 2cry s GLU 66 Ca 0.28 0.73 -0.00 0.00 0.02 0.00 0.00 54.97 55.99 2cry s GLU 66 Cb -0.17 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.02 2cry s GLU 66 CO 0.15 -0.21 -0.04 0.99 0.02 0.00 0.00 175.26 176.16 2cry s THR 67 N 1.85 3.90 0.25 3.63 2.01 -1.26 0.21 115.64 126.23 2cry s THR 67 Ca -0.05 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 61.63 2cry s THR 67 Cb -0.11 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 2cry s THR 67 CO -0.10 0.59 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.68 2cry s ILE 68 N -0.69 1.78 -0.25 1.82 1.01 0.69 -4.96 121.20 120.60 2cry s ILE 68 Ca 0.11 -2.19 -0.05 0.00 0.00 0.00 0.00 60.65 58.51 2cry s ILE 68 Cb -0.11 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2cry s ILE 68 CO 0.02 -0.44 0.01 -0.94 0.00 0.00 0.00 174.94 173.58 2cry s SER 69 N -3.40 4.66 0.25 3.58 1.04 -1.26 -0.68 113.70 117.89 2cry s SER 69 Ca 0.26 -0.59 0.11 0.00 0.48 0.00 0.00 55.95 56.21 2cry s SER 69 Cb 0.01 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.29 2cry s SER 69 CO 0.10 -0.10 -0.13 0.42 0.98 0.00 0.00 173.24 174.50 2cry s THR 70 N 1.47 2.84 0.22 2.02 -4.23 -0.11 -4.95 115.64 112.91 2cry s THR 70 Ca 0.04 -2.10 -0.16 0.00 -1.18 0.00 0.00 61.69 58.29 2cry s THR 70 Cb -0.16 -2.47 0.25 0.00 1.34 0.00 0.00 72.50 71.46 2cry s THR 70 CO -0.01 -0.30 1.58 1.05 -0.54 0.00 0.00 174.62 176.40 2cry h GLU 71 N 2.40 -0.06 -0.49 3.99 4.11 -1.99 0.79 114.58 123.35 2cry h GLU 71 Ca -0.43 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.07 2cry h GLU 71 Cb 1.24 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2cry h GLU 71 CO 0.57 -0.04 0.33 0.93 0.07 0.00 0.00 179.01 180.87 2cry h GLU 72 N -0.06 0.36 0.00 1.06 5.08 -1.94 -3.47 114.58 115.61 2cry h GLU 72 Ca 0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2cry h GLU 72 Cb 0.58 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2cry h GLU 72 CO -0.80 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 177.85 2cry n GLY 73 N -1.52 -1.39 3.35 -3.84 0.00 0.28 -4.30 105.19 97.77 2cry n GLY 73 Ca 0.07 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 2cry n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cry s VAL 74 N 0.00 0.00 -0.24 1.61 -7.23 -0.22 -0.93 120.40 113.39 2cry s VAL 74 Ca 0.00 -1.81 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2cry s VAL 74 Cb 0.00 -2.49 0.12 0.00 0.56 0.00 0.00 36.38 34.56 2cry s VAL 74 CO 0.00 0.00 0.48 -0.63 -0.31 0.00 0.00 175.10 174.64 2cry s ILE 75 N -3.67 -0.75 -0.45 -0.62 1.01 0.14 -2.08 121.20 114.77 2cry s ILE 75 Ca 0.35 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 2cry s ILE 75 Cb 0.03 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.76 2cry s ILE 75 CO 0.18 0.02 0.37 -0.55 0.00 0.00 0.00 174.94 174.96 2cry s SER 76 N 2.69 6.14 -0.13 3.58 0.15 -1.16 -0.22 113.70 124.74 2cry s SER 76 Ca 0.02 -1.19 -0.07 0.00 0.70 0.00 0.00 55.95 55.41 2cry s SER 76 Cb -0.13 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 2cry s SER 76 CO -0.15 -0.59 0.12 -0.89 1.20 0.00 0.00 173.24 172.93 2cry s THR 77 N 1.67 5.37 -0.21 6.45 2.01 0.13 -1.52 115.64 129.55 2cry s THR 77 Ca 0.05 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2cry s THR 77 Cb -0.23 -3.35 0.05 0.00 0.01 0.00 0.00 72.50 68.98 2cry s THR 77 CO 0.08 0.59 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.30 2cry s LEU 78 N -0.75 2.32 0.13 4.42 2.96 -0.65 -0.69 118.68 126.43 2cry s LEU 78 Ca 0.13 -0.99 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 2cry s LEU 78 Cb -0.12 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 2cry s LEU 78 CO 0.03 -0.19 0.21 -0.89 -1.32 0.00 0.00 176.35 174.18 2cry s THR 79 N 1.43 5.02 -0.01 3.68 2.01 -0.38 -0.36 115.64 127.03 2cry s THR 79 Ca -0.03 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.27 2cry s THR 79 Cb -0.17 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2cry s THR 79 CO -0.07 -0.03 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.03 2cry s ILE 80 N -1.66 1.35 -0.00 1.82 1.01 -1.25 -0.38 121.20 122.08 2cry s ILE 80 Ca 0.33 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 2cry s ILE 80 Cb -0.11 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 2cry s ILE 80 CO 0.26 0.35 0.22 -1.28 0.00 0.00 0.00 174.94 174.49 2cry h SER 81 N 5.62 -0.00 -3.04 3.58 0.87 -1.84 -3.32 113.55 115.43 2cry h SER 81 Ca -0.37 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.49 2cry h SER 81 Cb 1.15 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.76 2cry h SER 81 CO 0.48 0.00 -0.05 0.59 -0.53 0.00 0.00 176.83 177.32 2cry n ASN 82 N -2.00 4.46 -4.76 6.23 3.02 -1.26 -4.48 115.26 116.47 2cry n ASN 82 Ca -0.00 -3.24 -0.37 0.00 -0.03 0.00 0.00 54.58 50.95 2cry n ASN 82 Cb 0.00 -1.01 0.01 0.00 -0.61 0.00 0.00 39.78 38.17 2cry n ASN 82 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2cry s ILE 83 N -1.82 2.81 0.24 2.41 2.07 -1.23 -5.03 121.20 120.66 2cry s ILE 83 Ca 0.31 0.56 0.01 0.00 -1.41 0.00 0.00 60.65 60.11 2cry s ILE 83 Cb -0.01 -3.26 -0.05 0.00 0.13 0.00 0.00 42.46 39.28 2cry s ILE 83 CO -0.07 -0.06 0.11 0.68 -1.91 0.00 0.00 174.94 173.70 2cry s VAL 84 N -1.56 0.34 0.33 4.00 -7.23 -1.26 -4.18 120.40 110.84 2cry s VAL 84 Ca 0.71 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.98 2cry s VAL 84 Cb -0.30 -2.58 0.33 0.00 0.56 0.00 0.00 36.38 34.39 2cry s VAL 84 CO 0.35 0.00 1.77 0.03 -0.31 0.00 0.00 175.10 176.94 2cry h ARG 85 N 2.45 0.61 -0.43 4.82 -0.00 -1.97 0.37 114.38 120.22 2cry h ARG 85 Ca -0.37 -0.04 0.13 0.00 -0.50 0.00 0.00 59.98 59.20 2cry h ARG 85 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 31.06 2cry h ARG 85 CO 0.57 0.40 0.51 0.00 0.00 0.00 0.00 179.97 181.46 2cry h ALA 86 N 1.66 2.13 -0.16 0.04 0.00 -1.99 0.33 119.26 121.27 2cry h ALA 86 Ca 0.59 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 2cry h ALA 86 Cb 1.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2cry h ALA 86 CO -0.37 -0.74 -0.07 0.22 0.00 0.00 0.00 179.25 178.29 2cry h ASP 87 N 0.00 0.22 0.01 0.00 1.82 -0.61 -0.40 116.42 117.46 2cry h ASP 87 Ca 0.21 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2cry h ASP 87 Cb 1.23 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2cry h ASP 87 CO -0.00 0.32 -0.01 -0.26 -1.61 0.00 0.00 179.24 177.69 2cry h PHE 88 N 0.23 -0.02 -0.22 0.28 0.04 -0.47 -3.30 116.94 113.48 2cry h PHE 88 Ca 0.05 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2cry h PHE 88 Cb 0.28 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2cry h PHE 88 CO 0.00 0.77 0.14 1.96 -0.60 0.00 0.00 178.31 180.58 2cry h GLN 89 N -0.88 0.29 -6.91 1.51 1.08 -1.44 -3.39 115.11 105.37 2cry h GLN 89 Ca -0.00 -0.02 -0.48 0.00 -1.45 0.00 0.00 58.65 56.70 2cry h GLN 89 Cb 0.79 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2cry h GLN 89 CO 0.00 0.20 0.39 0.99 -0.95 0.00 0.00 178.83 179.45 2cry s THR 90 N -5.29 3.94 -0.19 -0.54 2.01 -0.17 -5.04 115.64 110.36 2cry s THR 90 Ca -0.07 1.58 -0.08 0.00 0.31 0.00 0.00 61.69 63.43 2cry s THR 90 Cb 0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2cry s THR 90 CO 0.70 0.10 0.08 -0.63 -0.69 0.00 0.00 174.62 174.19 2cry s ILE 91 N -1.60 4.93 0.13 1.82 1.09 -1.26 -4.51 121.20 121.80 2cry s ILE 91 Ca 0.53 0.02 0.02 0.00 -1.10 0.00 0.00 60.65 60.12 2cry s ILE 91 Cb -0.21 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 37.91 2cry s ILE 91 CO 0.27 0.44 0.24 -0.31 -0.10 0.00 0.00 174.94 175.48 2cry s TYR 92 N 0.48 3.44 -0.13 3.97 2.02 0.50 -4.22 117.35 123.41 2cry s TYR 92 Ca 0.04 0.13 -0.06 0.00 -0.37 0.00 0.00 57.07 56.81 2cry s TYR 92 Cb -0.12 -1.67 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 2cry s TYR 92 CO 0.00 0.53 0.30 -0.80 -1.57 0.00 0.00 175.55 174.02 2cry s ASN 93 N -3.00 -0.24 -0.51 2.29 0.01 -0.97 -0.92 114.94 111.60 2cry s ASN 93 Ca 0.34 0.65 -0.09 0.00 -0.71 0.00 0.00 52.86 53.05 2cry s ASN 93 Cb -0.11 0.58 0.13 0.00 0.41 0.00 0.00 41.25 42.26 2cry s ASN 93 CO 0.27 -0.19 0.38 0.00 -1.51 0.00 0.00 177.10 176.06 2cry s THR 95 N 1.14 5.10 0.34 0.00 2.01 -0.82 -3.30 115.64 120.12 2cry s THR 95 Ca 0.08 0.73 0.04 0.00 0.31 0.00 0.00 61.69 62.85 2cry s THR 95 Cb -0.25 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 2cry s THR 95 CO -0.02 0.58 0.06 0.00 -0.69 0.00 0.00 174.62 174.56 2cry s ALA 96 N -1.08 2.52 -0.16 7.40 0.00 -0.54 -0.95 121.76 128.96 2cry s ALA 96 Ca 0.22 -1.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.21 2cry s ALA 96 Cb -0.16 0.63 0.08 0.00 0.00 0.00 0.00 23.12 23.67 2cry s ALA 96 CO 0.12 -0.30 0.31 -1.58 0.00 0.00 0.00 175.76 174.32 2cry s TRP 97 N -3.25 -0.55 0.17 0.00 0.51 0.26 -3.57 118.94 112.52 2cry s TRP 97 Ca 0.34 1.09 0.07 0.00 -2.12 0.00 0.00 56.10 55.49 2cry s TRP 97 Cb 0.08 0.05 -0.04 0.00 -0.81 0.00 0.00 33.47 32.75 2cry s TRP 97 CO 0.15 -0.42 -0.15 1.21 -0.51 0.00 0.00 176.95 177.23 2cry s ASN 98 N 2.48 2.41 0.60 2.95 2.47 0.63 -0.26 114.94 126.22 2cry s ASN 98 Ca 0.01 -0.94 0.28 0.00 0.42 0.00 0.00 52.86 52.63 2cry s ASN 98 Cb -0.12 -0.12 1.25 0.00 -1.45 0.00 0.00 41.25 40.82 2cry s ASN 98 CO -0.10 -0.15 1.65 0.28 -3.72 0.00 0.00 177.10 175.06 2cry h SER 99 N 2.93 0.00 0.00 -4.21 0.02 -1.96 -1.13 113.55 109.21 2cry h SER 99 Ca -0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2cry h SER 99 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2cry h SER 99 CO 0.57 0.00 -0.10 -0.26 -1.14 0.00 0.00 176.83 175.91 2cry h PHE 100 N 0.00 0.00 0.00 3.45 -1.00 -1.95 -3.51 116.94 113.93 2cry h PHE 100 Ca 0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.10 2cry h PHE 100 Cb 1.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.43 2cry h PHE 100 CO 0.00 0.12 0.00 0.41 -1.61 0.00 0.00 178.31 177.23 2cry n GLY 101 N 1.73 2.30 3.80 -1.45 0.00 -0.43 -4.88 105.19 106.26 2cry n GLY 101 Ca -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 2cry n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 102 N 2.00 -0.13 0.05 1.61 1.04 -1.26 -0.27 113.70 116.74 2cry s SER 102 Ca 0.00 -0.55 -0.28 0.00 0.48 0.00 0.00 55.95 55.60 2cry s SER 102 Cb 0.00 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.76 2cry s SER 102 CO 0.00 -1.04 1.07 -1.81 0.98 0.00 0.00 173.24 172.44 2cry s ASP 103 N -3.05 -0.17 -0.03 7.02 1.01 -1.23 -4.77 116.67 115.45 2cry s ASP 103 Ca 0.14 -0.23 -0.21 0.00 0.71 0.00 0.00 52.55 52.97 2cry s ASP 103 Cb -0.02 0.34 0.04 0.00 1.01 0.00 0.00 42.92 44.29 2cry s ASP 103 CO 0.04 -0.62 0.45 -0.89 0.21 0.00 0.00 175.17 174.36 2cry s THR 104 N -2.92 0.04 -0.04 -1.27 2.01 -1.26 -1.46 115.64 110.73 2cry s THR 104 Ca 0.11 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2cry s THR 104 Cb 0.01 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.76 2cry s THR 104 CO -0.02 -0.16 -0.17 -0.70 -0.69 0.00 0.00 174.62 172.88 2cry s GLU 105 N -1.27 1.75 -0.10 4.92 2.12 -1.21 -4.94 118.70 119.98 2cry s GLU 105 Ca -0.13 -0.60 -0.21 0.00 0.36 0.00 0.00 54.97 54.39 2cry s GLU 105 Cb -0.03 -1.53 -0.04 0.00 0.26 0.00 0.00 34.13 32.79 2cry s GLU 105 CO 0.06 0.25 0.59 0.42 -0.54 0.00 0.00 175.26 176.04 2cry s ILE 106 N 0.02 5.12 -0.06 -3.70 1.01 -1.26 -2.73 121.20 119.60 2cry s ILE 106 Ca -0.03 1.19 0.01 0.00 0.00 0.00 0.00 60.65 61.83 2cry s ILE 106 Cb -0.11 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.45 2cry s ILE 106 CO 0.02 0.28 -0.07 -0.63 0.00 0.00 0.00 174.94 174.54 2cry s ILE 107 N 0.74 0.77 -0.54 2.92 1.09 -0.10 -4.99 121.20 121.09 2cry s ILE 107 Ca 0.32 -0.25 0.04 0.00 -1.10 0.00 0.00 60.65 59.65 2cry s ILE 107 Cb -0.16 -0.76 0.14 0.00 -1.06 0.00 0.00 42.46 40.62 2cry s ILE 107 CO 0.14 0.28 0.31 -0.13 -0.10 0.00 0.00 174.94 175.44 2cry s ARG 108 N 0.88 1.96 1.02 2.79 0.52 -1.26 -0.37 118.95 124.49 2cry s ARG 108 Ca -0.11 -2.68 -0.16 0.00 -0.52 0.00 0.00 55.73 52.26 2cry s ARG 108 Cb -0.15 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.18 2cry s ARG 108 CO 0.01 -1.16 0.01 -0.11 0.02 0.00 0.00 175.30 174.08 2cry n LEU 109 N 2.93 -1.74 -3.54 2.53 7.94 -1.26 -4.98 117.00 118.88 2cry n LEU 109 Ca 0.09 0.14 -0.09 0.00 -1.11 0.00 0.00 56.01 55.04 2cry n LEU 109 Cb 0.33 -1.03 -0.02 0.00 0.53 0.00 0.00 43.42 43.23 2cry n LEU 109 CO 0.31 -3.65 0.59 -0.54 -1.11 0.00 0.00 177.39 172.99 2cry s LYS 110 N -3.29 1.08 0.46 1.96 1.02 -1.26 -4.16 119.74 115.54 2cry s LYS 110 Ca 0.53 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 56.05 2cry s LYS 110 Cb -0.16 0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.60 2cry s LYS 110 CO 0.69 -0.48 0.72 -1.83 -0.92 0.00 0.00 175.35 173.52 2cry s GLU 111 N -3.39 3.26 0.18 1.68 -1.05 -1.26 -2.99 118.70 115.14 2cry s GLU 111 Ca 0.05 -0.18 -0.32 0.00 -0.15 0.00 0.00 54.97 54.37 2cry s GLU 111 Cb -0.01 -2.48 -0.11 0.00 -0.44 0.00 0.00 34.13 31.08 2cry s GLU 111 CO -0.08 -0.24 1.70 1.14 0.95 0.00 0.00 175.26 178.74 2cry s GLN 112 N -4.63 4.15 0.00 -4.83 -2.07 -1.24 -4.28 119.66 106.76 2cry s GLN 112 Ca 0.47 2.54 0.00 0.00 -1.82 0.00 0.00 55.36 56.55 2cry s GLN 112 Cb -0.10 -3.16 0.00 0.00 -1.09 0.00 0.00 33.01 28.66 2cry s GLN 112 CO 0.41 -0.73 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 2cry n GLY 113 N 3.96 0.78 3.89 2.60 0.00 -1.26 -5.12 105.19 110.04 2cry n GLY 113 Ca 0.16 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2cry n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 114 N -1.57 6.46 0.00 1.61 1.04 -1.26 -5.11 113.70 114.87 2cry s SER 114 Ca 0.00 0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.95 2cry s SER 114 Cb 0.00 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 2cry s SER 114 CO 0.00 0.21 -0.10 -0.70 0.98 0.00 0.00 173.24 173.64 2cry s GLU 115 N -2.02 0.73 0.01 4.02 2.12 -1.26 -5.05 118.70 117.25 2cry s GLU 115 Ca 0.30 -0.41 -0.23 0.00 0.36 0.00 0.00 54.97 55.00 2cry s GLU 115 Cb -0.13 -0.70 -0.18 0.00 0.26 0.00 0.00 34.13 33.38 2cry s GLU 115 CO 0.19 0.19 1.26 0.52 -0.54 0.00 0.00 175.26 176.88 2cry h MET 116 N 5.68 0.23 -6.52 4.30 2.86 -2.08 -3.43 114.93 115.97 2cry h MET 116 Ca -0.32 -0.14 -0.53 0.00 -2.06 0.00 0.00 59.70 56.65 2cry h MET 116 Cb 1.18 0.01 0.03 0.00 0.06 0.00 0.00 31.60 32.88 2cry h MET 116 CO 0.48 0.72 0.89 0.45 1.06 0.00 0.00 176.91 180.50 2cry s SER 117 N -6.06 6.66 -0.20 1.22 0.15 -1.26 -4.98 113.70 109.24 2cry s SER 117 Ca -0.15 2.47 -0.30 0.00 0.70 0.00 0.00 55.95 58.67 2cry s SER 117 Cb 0.03 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.91 2cry s SER 117 CO 0.73 -0.80 1.08 -0.83 1.20 0.00 0.00 173.24 174.62 2cry s GLY 118 N 1.64 -0.17 0.42 9.45 0.00 -1.26 -5.16 107.32 112.24 2cry s GLY 118 Ca 0.70 2.27 -0.24 0.00 0.00 0.00 0.00 44.72 47.44 2cry s GLY 118 CO 0.31 1.11 1.18 2.56 0.00 0.00 0.00 173.10 178.26 2cry s PRO 119 N -0.99 3.94 0.01 2.90 0.04 -1.26 -5.05 135.00 134.59 2cry s PRO 119 Ca 0.01 1.85 0.04 0.00 0.04 0.00 0.00 61.00 62.94 2cry s PRO 119 Cb -0.01 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 2cry s PRO 119 CO -0.01 -0.42 -0.13 -1.54 0.04 0.00 0.00 177.00 174.94 2cry s SER 120 N -1.17 1.55 0.33 6.66 1.04 -1.26 -5.12 113.70 115.73 2cry s SER 120 Ca 0.59 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.42 2cry s SER 120 Cb -0.31 -0.15 -0.12 0.00 0.10 0.00 0.00 66.02 65.55 2cry s SER 120 CO 0.38 0.11 1.45 -1.20 0.98 0.00 0.00 173.24 174.96 2cry n SER 121 N 2.46 3.39 0.00 7.02 7.64 -1.26 -5.37 113.62 127.51 2cry n SER 121 Ca -0.15 1.19 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2cry n SER 121 Cb 0.55 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2cry n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64