#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry n SER 2 N 0.00 -5.21 0.09 1.61 2.88 -1.26 -4.93 113.62 106.80 2cry n SER 2 Ca 0.00 -0.53 -0.13 0.00 -1.33 0.00 0.00 58.87 56.88 2cry n SER 2 Cb 0.00 -4.81 -0.08 0.00 -0.75 0.00 0.00 64.21 58.56 2cry n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2cry h SER 3 N -2.39 -0.20 -3.47 -3.46 0.87 -2.12 -3.49 113.55 99.28 2cry h SER 3 Ca -0.54 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2cry h SER 3 Cb 1.34 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2cry h SER 3 CO 0.52 0.14 -0.28 0.61 -0.53 0.00 0.00 176.83 177.29 2cry n GLY 4 N -0.29 -3.79 3.56 5.77 0.00 -1.26 -5.11 105.19 104.07 2cry n GLY 4 Ca -0.09 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 2cry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 5 N -0.17 -0.68 -0.20 1.61 1.04 -1.26 -5.04 113.70 109.01 2cry s SER 5 Ca 0.00 1.19 -0.01 0.00 0.48 0.00 0.00 55.95 57.61 2cry s SER 5 Cb 0.00 1.17 0.12 0.00 0.10 0.00 0.00 66.02 67.41 2cry s SER 5 CO 0.00 -0.32 2.09 -1.20 0.98 0.00 0.00 173.24 174.79 2cry n SER 6 N 2.30 6.04 0.00 7.02 7.64 -1.26 -4.96 113.62 130.40 2cry n SER 6 Ca -0.15 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 56.91 2cry n SER 6 Cb 0.56 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.85 0.79 3.31 0.23 0.00 -1.26 -4.97 105.19 104.14 2cry n GLY 7 Ca 0.20 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2cry n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cry s THR 8 N 0.00 0.08 -0.01 2.61 -1.32 -1.26 -5.17 115.64 110.57 2cry s THR 8 Ca 0.00 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2cry s THR 8 Cb 0.00 -1.65 0.01 0.00 -1.51 0.00 0.00 72.50 69.36 2cry s THR 8 CO 0.00 -0.38 0.01 -0.76 -2.21 0.00 0.00 174.62 171.28 2cry s LEU 9 N -2.92 1.55 0.82 9.08 1.02 -1.26 -5.14 118.68 121.82 2cry s LEU 9 Ca 0.12 0.01 -0.14 0.00 0.02 0.00 0.00 54.13 54.14 2cry s LEU 9 Cb 0.03 -0.07 0.04 0.00 0.02 0.00 0.00 46.19 46.21 2cry s LEU 9 CO -0.04 -0.06 0.85 1.07 0.02 0.00 0.00 176.35 178.19 2cry n THR 10 N 3.61 1.52 -3.88 5.49 5.66 -1.26 -5.04 114.28 120.39 2cry n THR 10 Ca -0.20 -0.25 -0.11 0.00 -3.05 0.00 0.00 64.05 60.44 2cry n THR 10 Cb 0.55 -0.95 -0.10 0.00 -1.55 0.00 0.00 70.33 68.29 2cry n THR 10 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2cry s VAL 11 N -2.13 0.10 -0.13 1.08 -7.23 -1.26 -5.15 120.40 105.68 2cry s VAL 11 Ca 0.68 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 2cry s VAL 11 Cb -0.29 -0.57 0.02 0.00 0.56 0.00 0.00 36.38 36.11 2cry s VAL 11 CO 0.56 -0.43 -0.11 0.20 -0.31 0.00 0.00 175.10 175.00 2cry s ASN 12 N -1.60 2.45 0.00 4.85 0.01 -1.26 -4.67 114.94 114.72 2cry s ASN 12 Ca -0.12 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 2cry s ASN 12 Cb -0.06 -1.03 0.00 0.00 0.41 0.00 0.00 41.25 40.57 2cry s ASN 12 CO -0.00 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 2cry n GLY 13 N 4.80 3.08 3.73 0.66 0.00 -1.05 -4.97 105.19 111.44 2cry n GLY 13 Ca -0.15 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 1.23 1.58 0.11 1.61 0.04 -1.26 -4.29 135.00 134.02 2cry s PRO 14 Ca 0.00 0.93 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 2cry s PRO 14 Cb 0.00 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 2cry s PRO 14 CO 0.00 -2.05 1.36 -1.25 0.04 0.00 0.00 177.00 175.10 2cry s PRO 15 N -4.93 4.34 -0.11 0.56 0.04 -1.26 -4.57 135.00 129.07 2cry s PRO 15 Ca 0.63 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.69 2cry s PRO 15 Cb -0.18 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 2cry s PRO 15 CO 0.57 -0.40 -0.06 0.42 0.04 0.00 0.00 177.00 177.57 2cry s ILE 16 N 1.02 3.74 -0.40 0.56 1.01 -1.26 -4.36 121.20 121.51 2cry s ILE 16 Ca 0.63 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.88 2cry s ILE 16 Cb -0.36 -2.58 0.11 0.00 0.01 0.00 0.00 42.46 39.64 2cry s ILE 16 CO 0.31 0.55 0.13 -0.63 0.00 0.00 0.00 174.94 175.29 2cry s ILE 17 N -0.18 2.48 0.00 2.92 1.01 -1.26 -0.68 121.20 125.49 2cry s ILE 17 Ca 0.03 -2.58 0.00 0.00 0.00 0.00 0.00 60.65 58.09 2cry s ILE 17 Cb -0.13 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.55 2cry s ILE 17 CO 0.03 -0.66 0.87 -0.24 0.00 0.00 0.00 174.94 174.94 2cry n SER 18 N 3.97 0.00 -3.58 3.58 2.88 -1.10 -4.82 113.62 114.55 2cry n SER 18 Ca 0.04 0.92 -0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2cry n SER 18 Cb 0.39 -0.48 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 2cry n SER 18 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cry s SER 19 N -2.10 0.00 0.28 -3.46 0.01 -1.26 -5.03 113.70 102.14 2cry s SER 19 Ca 0.00 -0.44 0.09 0.00 1.31 0.00 0.00 55.95 56.91 2cry s SER 19 Cb 0.00 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 2cry s SER 19 CO 0.00 -0.65 0.08 0.42 0.41 0.00 0.00 173.24 173.50 2cry s THR 20 N -2.11 3.63 -0.62 1.44 -4.23 -1.26 -0.06 115.64 112.44 2cry s THR 20 Ca 0.25 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2cry s THR 20 Cb -0.01 -3.02 0.40 0.00 1.34 0.00 0.00 72.50 71.20 2cry s THR 20 CO 0.02 -0.33 1.61 0.00 -0.54 0.00 0.00 174.62 175.38 2cry n GLN 21 N -1.03 3.08 -0.63 3.99 1.13 0.20 -4.94 117.38 119.19 2cry n GLN 21 Ca -0.06 -3.92 -0.23 0.00 -1.94 0.00 0.00 57.00 50.85 2cry n GLN 21 Cb 0.59 -2.27 0.13 0.00 0.11 0.00 0.00 30.24 28.81 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2cry n THR 22 N -0.59 0.00 -4.38 5.09 -2.24 -1.26 -4.56 114.28 106.34 2cry n THR 22 Ca 0.49 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.94 2cry n THR 22 Cb 0.52 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry s GLN 23 N -3.22 1.87 -0.04 -0.78 0.00 -1.26 -5.02 119.66 111.21 2cry s GLN 23 Ca 0.39 -2.12 -0.01 0.00 -0.00 0.00 0.00 55.36 53.62 2cry s GLN 23 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 33.01 32.93 2cry s GLN 23 CO 0.43 -0.62 2.30 -2.39 0.00 0.00 0.00 175.29 175.02 2cry n HIS 24 N -0.77 0.19 -1.25 9.60 1.44 -1.26 -4.82 115.22 118.35 2cry n HIS 24 Ca 0.03 -1.20 -0.40 0.00 -2.01 0.00 0.00 57.72 54.13 2cry n HIS 24 Cb 0.63 -0.76 -0.00 0.00 0.12 0.00 0.00 29.99 29.98 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 1.55 -2.97 -2.33 1.59 0.00 -1.26 -4.30 120.51 112.79 2cry n ALA 25 Ca 0.12 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 2cry n ALA 25 Cb 0.58 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 2cry n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cry s LEU 26 N 4.35 1.78 -1.00 0.00 1.43 -1.26 -4.41 118.68 119.56 2cry s LEU 26 Ca 0.57 -1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 51.70 2cry s LEU 26 Cb -0.60 0.39 -0.13 0.00 0.03 0.00 0.00 46.19 45.89 2cry s LEU 26 CO 0.62 -1.03 2.10 -1.38 0.23 0.00 0.00 176.35 176.89 2cry s HIS 27 N -3.42 1.53 0.00 0.29 -3.43 -1.26 -3.60 115.29 105.39 2cry s HIS 27 Ca 0.37 1.37 0.00 0.00 -0.80 0.00 0.00 55.06 56.00 2cry s HIS 27 Cb 0.03 -3.69 0.00 0.00 -1.43 0.00 0.00 32.58 27.48 2cry s HIS 27 CO 0.24 -1.27 0.00 0.41 -2.00 0.00 0.00 174.74 172.12 2cry n GLY 28 N 6.38 -0.67 3.11 -1.38 0.00 -1.25 -5.03 105.19 106.35 2cry n GLY 28 Ca 0.43 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.50 2cry n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cry n GLU 29 N 0.00 -2.96 -3.57 1.61 0.00 -1.24 -4.05 120.64 110.43 2cry n GLU 29 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 57.16 55.90 2cry n GLU 29 Cb 0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 31.44 29.69 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2cry s LYS 30 N -3.94 3.81 -0.90 3.44 1.02 -1.26 -3.72 119.74 118.19 2cry s LYS 30 Ca 0.47 -0.42 -0.24 0.00 0.02 0.00 0.00 55.97 55.80 2cry s LYS 30 Cb -0.09 -3.70 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2cry s LYS 30 CO 0.43 -0.26 1.71 0.20 -0.92 0.00 0.00 175.35 176.51 2cry s GLY 31 N 1.75 0.63 0.15 -3.33 0.00 -1.11 -4.75 107.32 100.65 2cry s GLY 31 Ca 0.07 -1.68 -0.25 0.00 0.00 0.00 0.00 44.72 42.85 2cry s GLY 31 CO 0.11 3.13 0.77 1.62 0.00 0.00 0.00 173.10 178.73 2cry s GLN 32 N 6.18 4.55 -0.34 2.90 0.74 -1.26 -3.03 119.66 129.40 2cry s GLN 32 Ca 0.58 1.14 0.01 0.00 0.05 0.00 0.00 55.36 57.15 2cry s GLN 32 Cb -0.05 -3.27 0.10 0.00 1.10 0.00 0.00 33.01 30.89 2cry s GLN 32 CO -0.01 0.55 0.10 0.42 -0.55 0.00 0.00 175.29 175.80 2cry s ILE 33 N -1.04 1.42 -0.55 -2.34 1.01 -0.63 -4.19 121.20 114.89 2cry s ILE 33 Ca 0.36 -1.88 -0.24 0.00 0.00 0.00 0.00 60.65 58.89 2cry s ILE 33 Cb -0.23 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.23 2cry s ILE 33 CO 0.26 -0.68 0.91 -0.75 0.00 0.00 0.00 174.94 174.68 2cry s LYS 34 N 1.19 3.30 -0.35 2.79 2.20 -1.26 -2.07 119.74 125.54 2cry s LYS 34 Ca 0.11 -0.36 -0.24 0.00 -0.36 0.00 0.00 55.97 55.12 2cry s LYS 34 Cb -0.19 -4.07 0.01 0.00 -1.51 0.00 0.00 37.83 32.07 2cry s LYS 34 CO -0.16 -1.48 0.80 0.00 -0.36 0.00 0.00 175.35 174.15 2cry s PHE 36 N 3.13 2.28 -0.60 0.00 0.40 0.92 -3.29 117.98 120.81 2cry s PHE 36 Ca 0.32 -0.37 -0.23 0.00 -0.60 0.00 0.00 56.93 56.06 2cry s PHE 36 Cb -0.13 -4.39 0.06 0.00 0.51 0.00 0.00 43.02 39.07 2cry s PHE 36 CO 0.16 -1.69 0.91 0.42 0.70 0.00 0.00 175.22 175.72 2cry s ILE 37 N 7.46 4.42 -0.31 0.64 1.01 -0.73 -2.69 121.20 131.00 2cry s ILE 37 Ca 0.59 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 2cry s ILE 37 Cb -0.01 -4.58 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 2cry s ILE 37 CO 0.02 -1.24 2.98 0.54 0.00 0.00 0.00 174.94 177.24 2cry n ARG 38 N 7.40 2.25 -2.98 2.79 1.74 0.14 -0.45 116.66 127.55 2cry n ARG 38 Ca -0.02 -1.90 -0.40 0.00 -0.77 0.00 0.00 57.85 54.76 2cry n ARG 38 Cb 0.46 -2.07 -0.05 0.00 -1.02 0.00 0.00 32.46 29.79 2cry n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2cry s SER 39 N 0.84 7.13 -0.26 0.55 0.01 -1.25 -4.18 113.70 116.55 2cry s SER 39 Ca 0.60 1.36 -0.01 0.00 1.31 0.00 0.00 55.95 59.20 2cry s SER 39 Cb 0.36 -2.45 0.13 0.00 0.21 0.00 0.00 66.02 64.27 2cry s SER 39 CO -0.15 -0.06 0.34 -0.89 0.41 0.00 0.00 173.24 172.89 2cry s THR 40 N 0.40 -0.51 0.95 1.44 2.01 -1.26 -3.13 115.64 115.54 2cry s THR 40 Ca 0.39 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.03 2cry s THR 40 Cb -0.19 -0.88 0.16 0.00 0.01 0.00 0.00 72.50 71.60 2cry s THR 40 CO 0.21 -0.27 1.09 -2.16 -0.69 0.00 0.00 174.62 172.81 2cry s PRO 41 N 2.46 0.80 0.75 4.92 0.04 -1.26 -2.54 135.00 140.17 2cry s PRO 41 Ca 0.10 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 2cry s PRO 41 Cb -0.14 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2cry s PRO 41 CO -0.23 -2.51 1.10 -1.25 0.04 0.00 0.00 177.00 174.14 2cry s PRO 42 N -4.95 2.37 0.67 0.56 0.04 -1.18 -4.70 135.00 127.81 2cry s PRO 42 Ca 0.64 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 2cry s PRO 42 Cb -0.18 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2cry s PRO 42 CO 0.57 -1.56 1.11 -1.25 0.04 0.00 0.00 177.00 175.91 2cry s PRO 43 N -4.71 2.77 -0.15 0.56 0.04 -1.26 -4.95 135.00 127.29 2cry s PRO 43 Ca 0.63 1.37 0.05 0.00 0.04 0.00 0.00 61.00 63.09 2cry s PRO 43 Cb -0.18 -1.95 -0.23 0.00 0.04 0.00 0.00 34.50 32.18 2cry s PRO 43 CO 0.53 -1.27 0.23 -0.25 0.04 0.00 0.00 177.00 176.27 2cry n ASP 44 N -2.49 1.40 -4.37 6.66 8.00 -0.86 -4.95 116.55 119.94 2cry n ASP 44 Ca 0.10 0.13 -0.29 0.00 0.71 0.00 0.00 54.79 55.44 2cry n ASP 44 Cb 0.52 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.55 1.51 -0.05 -1.24 3.52 -0.94 -5.01 118.95 114.20 2cry s ARG 45 Ca -0.19 -1.25 -0.17 0.00 -0.13 0.00 0.00 55.73 53.98 2cry s ARG 45 Cb 0.07 -1.89 0.03 0.00 -1.56 0.00 0.00 34.95 31.61 2cry s ARG 45 CO 0.75 0.46 0.39 0.42 -0.81 0.00 0.00 175.30 176.51 2cry s ILE 46 N -0.98 0.04 -0.12 4.11 1.01 -1.26 -1.00 121.20 123.00 2cry s ILE 46 Ca 0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 2cry s ILE 46 Cb -0.10 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.74 2cry s ILE 46 CO 0.05 -0.17 0.31 0.00 0.00 0.00 0.00 174.94 175.13 2cry s ALA 47 N -1.01 -0.77 -0.55 9.38 0.00 -0.34 -4.51 121.76 123.95 2cry s ALA 47 Ca -0.11 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 2cry s ALA 47 Cb -0.04 -0.58 0.14 0.00 0.00 0.00 0.00 23.12 22.64 2cry s ALA 47 CO 0.04 -0.17 0.43 -1.58 0.00 0.00 0.00 175.76 174.49 2cry s TRP 48 N 0.49 3.45 -0.07 0.00 0.52 1.00 -2.15 118.94 122.19 2cry s TRP 48 Ca -0.03 -1.95 0.04 0.00 0.02 0.00 0.00 56.10 54.18 2cry s TRP 48 Cb -0.04 -3.53 -0.02 0.00 -1.15 0.00 0.00 33.47 28.73 2cry s TRP 48 CO -0.03 -0.98 -0.18 -1.54 0.02 0.00 0.00 176.95 174.24 2cry s SER 49 N 2.43 3.63 -0.03 2.95 1.04 -1.00 -0.94 113.70 121.79 2cry s SER 49 Ca 0.09 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 2cry s SER 49 Cb -0.24 -1.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.84 2cry s SER 49 CO -0.02 0.26 -0.10 -2.67 0.98 0.00 0.00 173.24 171.69 2cry n TRP 50 N 2.87 0.00 0.00 5.02 2.14 -1.24 -2.14 117.44 124.09 2cry n TRP 50 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 2cry n TRP 50 Cb 0.52 -0.15 0.00 0.00 -0.81 0.00 0.00 31.31 30.87 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 -3.33 0.00 0.00 -2.67 4.76 -1.26 -4.72 118.16 110.94 2cry n LYS 51 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2cry n LYS 51 Cb 0.16 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.22 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 -2.08 2.14 -2.02 1.97 -0.58 -1.26 -5.07 120.64 113.74 2cry n GLU 52 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2cry n GLU 52 Cb 0.00 -0.79 0.04 0.00 -0.57 0.00 0.00 31.44 30.12 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2cry s ASN 53 N -1.38 5.52 -0.26 1.62 0.01 -1.26 -5.09 114.94 114.09 2cry s ASN 53 Ca 0.00 1.03 -0.03 0.00 -0.71 0.00 0.00 52.86 53.15 2cry s ASN 53 Cb 0.00 -1.89 0.15 0.00 0.41 0.00 0.00 41.25 39.92 2cry s ASN 53 CO 0.00 -1.25 0.47 -0.69 -1.51 0.00 0.00 177.10 174.12 2cry s VAL 54 N -3.25 -0.76 -0.35 1.60 1.01 -1.26 -3.58 120.40 113.81 2cry s VAL 54 Ca 0.57 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 2cry s VAL 54 Cb -0.11 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.42 2cry s VAL 54 CO 0.50 -0.05 0.16 -0.22 0.00 0.00 0.00 175.10 175.48 2cry s LEU 55 N 2.68 4.42 -0.17 3.92 2.96 -0.12 -4.86 118.68 127.52 2cry s LEU 55 Ca 0.13 -0.91 -0.22 0.00 -0.22 0.00 0.00 54.13 52.91 2cry s LEU 55 Cb -0.15 -1.97 -0.19 0.00 0.50 0.00 0.00 46.19 44.38 2cry s LEU 55 CO -0.17 -0.32 0.40 -0.33 -1.32 0.00 0.00 176.35 174.61 2cry h GLU 56 N 8.35 0.00 -1.74 1.98 5.08 -1.87 0.28 114.58 126.66 2cry h GLU 56 Ca -0.27 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2cry h GLU 56 Cb 1.11 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.12 2cry h GLU 56 CO 0.64 0.84 0.35 -1.54 -1.00 0.00 0.00 179.01 178.30 2cry s SER 57 N -6.39 -0.54 0.00 1.42 1.04 -1.26 -4.70 113.70 103.27 2cry s SER 57 Ca -0.21 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2cry s SER 57 Cb 0.01 0.94 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2cry s SER 57 CO 0.56 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2cry n GLY 58 N 2.03 0.01 2.78 7.32 0.00 -1.24 -4.93 105.19 111.16 2cry n GLY 58 Ca -0.13 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 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 0.91 -0.23 2.61 2.01 -1.26 -1.96 115.64 117.73 2cry s THR 59 Ca 0.00 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 60.90 2cry s THR 59 Cb 0.00 -1.48 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 2cry s THR 59 CO 0.00 -0.38 -0.04 -0.55 -0.69 0.00 0.00 174.62 172.96 2cry s SER 60 N 1.64 4.32 0.85 3.53 0.15 -0.30 -4.93 113.70 118.97 2cry s SER 60 Ca 0.02 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2cry s SER 60 Cb -0.18 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2cry s SER 60 CO -0.14 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2cry n GLY 61 N 4.78 0.29 2.24 9.45 0.00 -1.26 -1.46 105.19 119.22 2cry n GLY 61 Ca -0.18 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 2.71 -3.88 1.61 1.74 -1.26 -4.97 116.66 112.61 2cry n ARG 62 Ca 0.00 -3.81 -0.12 0.00 -0.77 0.00 0.00 57.85 53.15 2cry n ARG 62 Cb 0.00 -1.93 -0.13 0.00 -1.02 0.00 0.00 32.46 29.38 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 -3.54 0.01 -0.13 -1.55 2.02 -0.53 -2.67 117.35 110.95 2cry s TYR 63 Ca 0.41 -0.00 -0.03 0.00 -0.37 0.00 0.00 57.07 57.08 2cry s TYR 63 Cb 0.37 -0.02 0.05 0.00 -0.40 0.00 0.00 41.96 41.96 2cry s TYR 63 CO -0.00 -0.06 0.05 0.99 -1.57 0.00 0.00 175.55 174.96 2cry s THR 64 N -0.26 0.17 -0.03 -0.71 2.01 0.13 -1.15 115.64 115.80 2cry s THR 64 Ca -0.03 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.74 2cry s THR 64 Cb -0.02 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 2cry s THR 64 CO -0.00 -0.06 0.37 -0.69 -0.69 0.00 0.00 174.62 173.55 2cry s VAL 65 N 2.04 5.12 -0.20 3.82 1.01 -0.83 -0.13 120.40 131.23 2cry s VAL 65 Ca 0.02 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 2cry s VAL 65 Cb -0.15 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.67 2cry s VAL 65 CO -0.07 0.56 0.38 -1.61 0.00 0.00 0.00 175.10 174.37 2cry s GLU 66 N -0.90 0.30 -0.13 2.72 2.02 -0.10 -3.73 118.70 118.89 2cry s GLU 66 Ca 0.22 0.82 -0.06 0.00 0.02 0.00 0.00 54.97 55.97 2cry s GLU 66 Cb -0.16 -0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 2cry s GLU 66 CO 0.11 -0.39 0.11 0.99 0.02 0.00 0.00 175.26 176.10 2cry s THR 67 N 2.56 5.22 0.32 3.63 2.01 -1.26 0.01 115.64 128.12 2cry s THR 67 Ca 0.04 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2cry s THR 67 Cb -0.13 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 2cry s THR 67 CO -0.13 0.59 0.03 -0.63 -0.69 0.00 0.00 174.62 173.79 2cry s ILE 68 N -0.75 1.30 -0.22 1.82 1.01 0.88 -4.95 121.20 120.29 2cry s ILE 68 Ca 0.13 -2.02 -0.05 0.00 0.00 0.00 0.00 60.65 58.71 2cry s ILE 68 Cb -0.12 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2cry s ILE 68 CO 0.03 -0.07 0.00 -0.94 0.00 0.00 0.00 174.94 173.96 2cry s SER 69 N -3.48 4.70 0.24 3.58 1.04 -1.26 -1.23 113.70 117.29 2cry s SER 69 Ca 0.35 -0.28 0.11 0.00 0.48 0.00 0.00 55.95 56.60 2cry s SER 69 Cb 0.08 -1.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.33 2cry s SER 69 CO 0.15 0.00 -0.14 0.42 0.98 0.00 0.00 173.24 174.64 2cry s THR 70 N 1.38 2.80 0.50 2.02 -4.23 -0.14 -4.93 115.64 113.04 2cry s THR 70 Ca 0.05 -2.10 0.22 0.00 -1.18 0.00 0.00 61.69 58.68 2cry s THR 70 Cb -0.15 -2.44 0.38 0.00 1.34 0.00 0.00 72.50 71.63 2cry s THR 70 CO 0.00 -0.29 1.98 1.05 -0.54 0.00 0.00 174.62 176.82 2cry h GLU 71 N 2.47 0.13 0.00 3.99 4.11 -1.99 0.45 114.58 123.73 2cry h GLU 71 Ca -0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2cry h GLU 71 Cb 1.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2cry h GLU 71 CO 0.57 0.09 -0.23 -0.85 0.07 0.00 0.00 179.01 178.65 2cry n GLU 72 N -4.41 0.25 0.00 1.06 0.28 -1.26 -5.00 120.64 111.56 2cry n GLU 72 Ca 0.11 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2cry n GLU 72 Cb 0.56 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.69 2cry n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cry n GLY 73 N 1.33 -0.44 3.48 -1.84 0.00 0.16 -4.02 105.19 103.87 2cry n GLY 73 Ca 0.05 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.19 1.61 -7.23 0.40 -0.96 120.40 114.03 2cry s VAL 74 Ca 0.00 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 2cry s VAL 74 Cb 0.00 -2.38 0.09 0.00 0.56 0.00 0.00 36.38 34.65 2cry s VAL 74 CO 0.00 0.00 0.37 -0.63 -0.31 0.00 0.00 175.10 174.53 2cry s ILE 75 N -3.80 -0.58 -0.75 -0.62 1.01 -0.36 -1.77 121.20 114.32 2cry s ILE 75 Ca 0.28 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 2cry s ILE 75 Cb 0.01 -0.63 0.20 0.00 0.01 0.00 0.00 42.46 42.05 2cry s ILE 75 CO 0.12 0.05 0.69 -0.55 0.00 0.00 0.00 174.94 175.25 2cry s SER 76 N 2.55 6.55 -0.01 3.58 0.15 -1.21 -0.08 113.70 125.23 2cry s SER 76 Ca 0.01 -2.50 -0.26 0.00 0.70 0.00 0.00 55.95 53.90 2cry s SER 76 Cb -0.13 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 2cry s SER 76 CO -0.12 -0.62 0.82 -0.89 1.20 0.00 0.00 173.24 173.63 2cry s THR 77 N 0.47 4.88 -0.25 6.45 2.01 0.10 -3.41 115.64 125.90 2cry s THR 77 Ca 0.14 1.72 -0.01 0.00 0.31 0.00 0.00 61.69 63.86 2cry s THR 77 Cb -0.15 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.23 2cry s THR 77 CO -0.06 0.25 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.84 2cry s LEU 78 N 0.62 3.23 -0.19 4.42 2.96 -0.88 -0.92 118.68 127.92 2cry s LEU 78 Ca 0.43 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 53.26 2cry s LEU 78 Cb -0.20 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2cry s LEU 78 CO 0.23 -0.14 0.26 -0.89 -1.32 0.00 0.00 176.35 174.49 2cry s THR 79 N 1.30 5.31 -0.30 3.68 2.01 0.82 -1.60 115.64 126.85 2cry s THR 79 Ca -0.01 0.45 -0.05 0.00 0.31 0.00 0.00 61.69 62.39 2cry s THR 79 Cb -0.17 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2cry s THR 79 CO -0.05 0.35 0.05 -0.63 -0.69 0.00 0.00 174.62 173.66 2cry s ILE 80 N 0.78 3.57 0.39 1.82 1.01 -1.17 0.19 121.20 127.79 2cry s ILE 80 Ca 0.14 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 2cry s ILE 80 Cb -0.13 -2.93 -0.09 0.00 0.01 0.00 0.00 42.46 39.32 2cry s ILE 80 CO 0.04 -0.02 1.16 -0.44 0.00 0.00 0.00 174.94 175.68 2cry s SER 81 N 1.40 6.62 -1.02 3.58 0.01 -1.09 -2.77 113.70 120.43 2cry s SER 81 Ca -0.01 2.33 -0.11 0.00 1.31 0.00 0.00 55.95 59.48 2cry s SER 81 Cb -0.18 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.45 2cry s SER 81 CO 0.01 -0.61 0.20 0.59 0.41 0.00 0.00 173.24 173.84 2cry n ASN 82 N 0.19 -0.80 -4.48 2.44 3.02 -1.26 -4.76 115.26 109.62 2cry n ASN 82 Ca 0.04 -0.94 -0.39 0.00 -0.03 0.00 0.00 54.58 53.26 2cry n ASN 82 Cb 0.46 -1.15 0.03 0.00 -0.61 0.00 0.00 39.78 38.52 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cry n ILE 83 N -3.74 2.21 -4.39 2.41 3.06 -1.24 -4.83 119.36 112.85 2cry n ILE 83 Ca -0.17 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.31 2cry n ILE 83 Cb 0.46 -0.70 -0.13 0.00 0.54 0.00 0.00 39.64 39.82 2cry n ILE 83 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2cry s VAL 84 N -1.65 1.99 0.33 9.51 -7.23 -1.26 -3.95 120.40 118.13 2cry s VAL 84 Ca 0.68 -1.61 0.18 0.00 -1.81 0.00 0.00 61.98 59.41 2cry s VAL 84 Cb -0.48 -1.77 0.32 0.00 0.56 0.00 0.00 36.38 35.01 2cry s VAL 84 CO 0.55 0.05 1.41 0.54 -0.31 0.00 0.00 175.10 177.34 2cry n ARG 85 N 1.09 -0.05 -0.25 4.82 1.74 -1.26 0.12 116.66 122.88 2cry n ARG 85 Ca -0.19 1.24 0.05 0.00 -0.77 0.00 0.00 57.85 58.18 2cry n ARG 85 Cb 0.53 -2.21 0.18 0.00 -1.02 0.00 0.00 32.46 29.94 2cry n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cry h ALA 86 N 1.78 0.93 -1.46 7.54 0.00 -2.00 0.19 119.26 126.25 2cry h ALA 86 Ca 0.75 0.17 0.43 0.00 0.00 0.00 0.00 54.91 56.25 2cry h ALA 86 Cb 1.95 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.90 2cry h ALA 86 CO -0.70 -0.34 1.02 -0.44 0.00 0.00 0.00 179.25 178.80 2cry h ASP 87 N 0.26 0.09 -0.11 0.00 5.19 0.63 0.69 116.42 123.17 2cry h ASP 87 Ca 0.41 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.71 2cry h ASP 87 Cb 0.69 0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.23 2cry h ASP 87 CO -0.51 -0.03 -0.47 -0.26 -3.12 0.00 0.00 179.24 174.85 2cry h PHE 88 N 0.05 0.68 -0.05 4.55 0.04 -0.72 -3.21 116.94 118.29 2cry h PHE 88 Ca 0.74 -0.30 -0.09 0.00 2.80 0.00 0.00 57.97 61.12 2cry h PHE 88 Cb 2.75 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 40.78 2cry h PHE 88 CO -0.00 1.07 -0.40 1.96 -0.60 0.00 0.00 178.31 180.34 2cry h GLN 89 N 0.11 0.11 -6.84 1.51 1.08 0.29 -3.39 115.11 107.97 2cry h GLN 89 Ca -0.03 -0.05 -0.50 0.00 -1.45 0.00 0.00 58.65 56.62 2cry h GLN 89 Cb 1.11 -0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.56 2cry h GLN 89 CO 0.10 0.49 0.46 0.99 -0.95 0.00 0.00 178.83 179.92 2cry s THR 90 N -4.14 3.53 -0.23 -0.54 2.01 0.17 -5.02 115.64 111.41 2cry s THR 90 Ca -0.03 1.46 -0.13 0.00 0.31 0.00 0.00 61.69 63.29 2cry s THR 90 Cb 0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2cry s THR 90 CO 0.75 0.28 0.29 -0.63 -0.69 0.00 0.00 174.62 174.63 2cry s ILE 91 N -1.27 5.26 0.15 1.82 1.09 -1.26 -4.60 121.20 122.40 2cry s ILE 91 Ca 0.47 0.46 -0.06 0.00 -1.10 0.00 0.00 60.65 60.42 2cry s ILE 91 Cb -0.30 -3.63 -0.06 0.00 -1.06 0.00 0.00 42.46 37.42 2cry s ILE 91 CO 0.38 0.27 0.41 -0.31 -0.10 0.00 0.00 174.94 175.59 2cry s TYR 92 N 1.34 3.47 -0.16 3.97 2.02 -0.82 -4.17 117.35 123.01 2cry s TYR 92 Ca 0.13 0.63 -0.06 0.00 -0.37 0.00 0.00 57.07 57.41 2cry s TYR 92 Cb -0.14 -2.06 0.07 0.00 -0.40 0.00 0.00 41.96 39.42 2cry s TYR 92 CO 0.07 0.41 0.33 -0.80 -1.57 0.00 0.00 175.55 173.99 2cry s ASN 93 N -2.35 0.03 -0.39 2.29 0.01 -0.91 -1.23 114.94 112.39 2cry s ASN 93 Ca 0.41 0.76 -0.15 0.00 -0.71 0.00 0.00 52.86 53.18 2cry s ASN 93 Cb -0.12 0.93 0.01 0.00 0.41 0.00 0.00 41.25 42.48 2cry s ASN 93 CO 0.23 -0.23 0.30 0.00 -1.51 0.00 0.00 177.10 175.90 2cry s THR 95 N 1.76 3.44 0.50 0.00 2.01 -0.91 -3.19 115.64 119.25 2cry s THR 95 Ca 0.06 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2cry s THR 95 Cb -0.18 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 2cry s THR 95 CO 0.11 0.58 0.04 0.00 -0.69 0.00 0.00 174.62 174.66 2cry s ALA 96 N -0.58 3.90 -0.26 7.40 0.00 -1.07 -1.20 121.76 129.95 2cry s ALA 96 Ca 0.08 -0.42 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 2cry s ALA 96 Cb -0.12 0.22 0.12 0.00 0.00 0.00 0.00 23.12 23.34 2cry s ALA 96 CO 0.02 -0.10 0.55 -1.58 0.00 0.00 0.00 175.76 174.65 2cry s TRP 97 N -2.97 -1.16 0.21 0.00 0.51 -0.17 -4.02 118.94 111.34 2cry s TRP 97 Ca 0.08 1.92 0.06 0.00 -2.12 0.00 0.00 56.10 56.04 2cry s TRP 97 Cb 0.01 0.57 -0.05 0.00 -0.81 0.00 0.00 33.47 33.19 2cry s TRP 97 CO 0.05 -0.63 -0.08 1.21 -0.51 0.00 0.00 176.95 176.99 2cry s ASN 98 N 2.78 2.27 0.65 2.95 2.47 0.24 -2.03 114.94 124.27 2cry s ASN 98 Ca -0.01 -1.10 0.29 0.00 0.42 0.00 0.00 52.86 52.46 2cry s ASN 98 Cb -0.12 -0.08 1.57 0.00 -1.45 0.00 0.00 41.25 41.17 2cry s ASN 98 CO -0.17 -0.33 1.90 -1.28 -3.72 0.00 0.00 177.10 173.51 2cry h SER 99 N 2.52 0.00 0.00 -4.21 0.87 -1.95 -1.94 113.55 108.84 2cry h SER 99 Ca -0.38 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2cry h SER 99 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2cry h SER 99 CO 0.64 0.00 -0.27 -0.26 -0.53 0.00 0.00 176.83 176.41 2cry h PHE 100 N 0.00 0.00 0.00 2.24 0.04 -1.95 -3.51 116.94 113.76 2cry h PHE 100 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2cry h PHE 100 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 2cry h PHE 100 CO 0.00 0.42 0.00 0.41 -0.60 0.00 0.00 178.31 178.54 2cry n GLY 101 N 1.66 2.15 3.66 -1.45 0.00 -0.73 -4.81 105.19 105.67 2cry n GLY 101 Ca -0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 0.14 -0.08 1.61 1.04 -1.26 -0.59 113.70 116.55 2cry s SER 102 Ca 0.00 -1.06 -0.30 0.00 0.48 0.00 0.00 55.95 55.07 2cry s SER 102 Cb 0.00 0.69 0.12 0.00 0.10 0.00 0.00 66.02 66.92 2cry s SER 102 CO 0.00 -1.34 0.97 -1.81 0.98 0.00 0.00 173.24 172.05 2cry s ASP 103 N -3.07 -0.33 -0.02 7.02 1.01 -1.26 -4.75 116.67 115.28 2cry s ASP 103 Ca 0.21 0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.53 2cry s ASP 103 Cb -0.02 0.32 0.01 0.00 1.01 0.00 0.00 42.92 44.23 2cry s ASP 103 CO 0.12 -0.47 0.15 -0.89 0.21 0.00 0.00 175.17 174.29 2cry s THR 104 N -2.34 0.06 -0.04 -1.27 2.01 -1.26 -2.58 115.64 110.21 2cry s THR 104 Ca 0.03 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2cry s THR 104 Cb -0.01 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.15 2cry s THR 104 CO -0.05 -0.25 -0.05 -0.70 -0.69 0.00 0.00 174.62 172.88 2cry s GLU 105 N -0.89 0.85 0.18 4.92 2.56 -1.19 -4.98 118.70 120.15 2cry s GLU 105 Ca -0.10 -0.12 -0.24 0.00 0.00 0.00 0.00 54.97 54.51 2cry s GLU 105 Cb -0.05 -0.85 -0.08 0.00 2.00 0.00 0.00 34.13 35.15 2cry s GLU 105 CO 0.01 -0.07 0.76 0.42 -0.56 0.00 0.00 175.26 175.82 2cry s ILE 106 N 0.87 4.42 -0.02 -3.70 1.01 -1.26 -2.99 121.20 119.53 2cry s ILE 106 Ca -0.12 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2cry s ILE 106 Cb -0.14 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.28 2cry s ILE 106 CO 0.00 0.45 0.01 -0.63 0.00 0.00 0.00 174.94 174.77 2cry s ILE 107 N -1.23 0.11 -0.39 2.92 1.09 -0.37 -4.98 121.20 118.35 2cry s ILE 107 Ca 0.37 0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 60.01 2cry s ILE 107 Cb -0.22 -0.20 0.11 0.00 -1.06 0.00 0.00 42.46 41.09 2cry s ILE 107 CO 0.25 0.12 0.16 -0.13 -0.10 0.00 0.00 174.94 175.23 2cry s ARG 108 N 0.90 1.86 -0.88 2.79 1.81 -1.26 -1.94 118.95 122.23 2cry s ARG 108 Ca -0.09 -1.83 -0.25 0.00 -1.72 0.00 0.00 55.73 51.84 2cry s ARG 108 Cb -0.12 -3.48 -0.06 0.00 -0.45 0.00 0.00 34.95 30.84 2cry s ARG 108 CO -0.02 -1.03 2.01 -1.17 -0.68 0.00 0.00 175.30 174.41 2cry s LEU 109 N 1.08 3.13 0.37 2.53 2.96 -1.26 -4.95 118.68 122.54 2cry s LEU 109 Ca 0.09 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.21 2cry s LEU 109 Cb -0.22 -2.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.81 2cry s LEU 109 CO -0.05 -2.89 0.92 -0.54 -1.32 0.00 0.00 176.35 172.46 2cry s LYS 110 N 7.27 4.35 0.87 1.98 1.02 -1.26 -4.11 119.74 129.85 2cry s LYS 110 Ca 0.73 1.15 -0.14 0.00 0.02 0.00 0.00 55.97 57.73 2cry s LYS 110 Cb -0.08 -2.48 0.21 0.00 -0.52 0.00 0.00 37.83 34.97 2cry s LYS 110 CO 0.01 0.13 0.48 0.39 -0.92 0.00 0.00 175.35 175.44 2cry n GLU 111 N -0.08 -3.00 0.16 1.68 1.02 -1.26 -4.70 120.64 114.46 2cry n GLU 111 Ca 0.04 -0.81 0.13 0.00 -0.02 0.00 0.00 57.16 56.50 2cry n GLU 111 Cb 0.52 -1.16 0.55 0.00 -0.02 0.00 0.00 31.44 31.34 2cry n GLU 111 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2cry h GLN 112 N 0.00 0.00 0.00 3.49 3.07 -1.77 -3.45 115.11 116.45 2cry h GLN 112 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.52 2cry h GLN 112 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 2cry h GLN 112 CO 0.13 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.46 2cry n GLY 113 N -0.14 -2.03 2.72 0.06 0.00 -1.26 -5.04 105.19 99.50 2cry n GLY 113 Ca 0.01 0.69 -0.47 0.00 0.00 0.00 0.00 46.02 46.26 2cry n GLY 113 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cry n SER 114 N -1.81 0.27 -3.83 1.61 2.88 -1.26 -4.94 113.62 106.54 2cry n SER 114 Ca 0.00 0.89 -0.13 0.00 -1.33 0.00 0.00 58.87 58.30 2cry n SER 114 Cb 0.00 -0.69 -0.14 0.00 -0.75 0.00 0.00 64.21 62.63 2cry n SER 114 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2cry s GLU 115 N 0.69 0.05 0.16 -1.46 2.12 -1.26 -4.54 118.70 114.46 2cry s GLU 115 Ca 0.72 0.13 -0.21 0.00 0.36 0.00 0.00 54.97 55.98 2cry s GLU 115 Cb -1.02 -0.03 -0.13 0.00 0.26 0.00 0.00 34.13 33.21 2cry s GLU 115 CO 0.49 -0.05 0.37 0.00 -0.54 0.00 0.00 175.26 175.53 2cry n MET 116 N 3.36 0.00 -1.64 4.30 0.00 -1.26 -4.67 117.12 117.20 2cry n MET 116 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.09 2cry n MET 116 Cb 0.57 -0.76 -0.04 0.00 0.00 0.00 0.00 33.22 33.00 2cry n MET 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2cry n SER 117 N 1.53 3.67 0.00 3.17 2.88 -1.26 -4.76 113.62 118.86 2cry n SER 117 Ca 0.13 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 2cry n SER 117 Cb 0.20 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 2cry n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cry n GLY 118 N 4.90 0.65 3.77 0.46 0.00 -1.26 -5.12 105.19 108.59 2cry n GLY 118 Ca 0.24 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2cry n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 119 N -1.78 3.05 -0.07 1.61 0.04 -1.26 -4.96 135.00 131.64 2cry s PRO 119 Ca 0.00 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 2cry s PRO 119 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2cry s PRO 119 CO 0.00 -1.07 1.54 0.45 0.04 0.00 0.00 177.00 177.96 2cry s SER 120 N -2.23 6.75 1.27 6.66 0.15 -1.26 -4.99 113.70 120.05 2cry s SER 120 Ca 0.69 2.11 -0.17 0.00 0.70 0.00 0.00 55.95 59.29 2cry s SER 120 Cb -0.22 -2.54 0.32 0.00 -1.71 0.00 0.00 66.02 61.87 2cry s SER 120 CO 0.35 -0.87 0.99 -0.44 1.20 0.00 0.00 173.24 174.47 2cry s SER 121 N 2.85 0.12 0.00 5.45 0.01 -1.26 -5.27 113.70 115.61 2cry s SER 121 Ca 0.68 1.19 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2cry s SER 121 Cb -0.31 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2cry s SER 121 CO 0.26 -4.68 0.00 0.61 0.41 0.00 0.00 173.24 169.84