#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2y s ILE 2 N 0.00 4.70 0.00 0.53 1.01 -1.26 -4.99 121.20 121.20 1a2y s ILE 2 Ca 0.00 1.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.93 1a2y s ILE 2 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1a2y s ILE 2 CO 0.00 -0.34 0.21 -0.69 0.00 0.00 0.00 174.94 174.12 1a2y s VAL 3 N 3.19 5.39 -0.15 2.92 1.01 -1.26 -4.66 120.40 126.84 1a2y s VAL 3 Ca 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1a2y s VAL 3 Cb -0.13 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1a2y s VAL 3 CO 0.14 0.31 -0.07 -0.76 0.00 0.00 0.00 175.10 174.72 1a2y s LEU 4 N -1.95 3.04 -0.34 3.92 1.43 -1.26 -1.47 118.68 122.05 1a2y s LEU 4 Ca 0.28 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1a2y s LEU 4 Cb -0.13 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.41 1a2y s LEU 4 CO 0.19 0.16 0.11 -0.89 0.23 0.00 0.00 176.35 176.15 1a2y s THR 5 N 0.42 3.85 -0.15 5.49 2.01 -0.20 -4.41 115.64 122.65 1a2y s THR 5 Ca -0.06 -1.11 -0.06 0.00 0.31 0.00 0.00 61.69 60.77 1a2y s THR 5 Cb -0.15 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1a2y s THR 5 CO 0.04 -0.18 0.06 -1.58 -0.69 0.00 0.00 174.62 172.27 1a2y s GLN 6 N 1.41 3.62 -0.03 4.92 0.74 -1.26 -1.43 119.66 127.64 1a2y s GLN 6 Ca -0.01 -0.31 -0.13 0.00 0.05 0.00 0.00 55.36 54.95 1a2y s GLN 6 Cb -0.19 -3.11 0.02 0.00 1.10 0.00 0.00 33.01 30.83 1a2y s GLN 6 CO 0.03 0.49 0.28 -1.54 -0.55 0.00 0.00 175.29 174.00 1a2y s SER 7 N -0.24 -0.18 0.69 6.67 1.04 -0.76 -4.67 113.70 116.25 1a2y s SER 7 Ca 0.08 0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.58 1a2y s SER 7 Cb -0.12 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.41 1a2y s SER 7 CO 0.01 -0.38 0.99 -2.16 0.98 0.00 0.00 173.24 172.69 1a2y s PRO 8 N -1.08 2.24 0.39 4.02 0.04 -1.26 -1.39 135.00 137.95 1a2y s PRO 8 Ca -0.11 -0.30 0.14 0.00 0.04 0.00 0.00 61.00 60.77 1a2y s PRO 8 Cb -0.05 -2.20 0.78 0.00 0.04 0.00 0.00 34.50 33.07 1a2y s PRO 8 CO 0.03 -1.19 1.85 0.00 0.04 0.00 0.00 177.00 177.73 1a2y h ALA 9 N -0.53 1.37 -2.70 8.56 0.00 -1.83 -3.41 119.26 120.72 1a2y h ALA 9 Ca -0.44 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 1a2y h ALA 9 Cb 1.31 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1a2y h ALA 9 CO 0.60 0.43 -0.15 -1.12 0.00 0.00 0.00 179.25 179.01 1a2y s SER 10 N -6.85 -0.14 -0.07 0.00 0.01 -1.26 -1.65 113.70 103.73 1a2y s SER 10 Ca -0.03 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.78 1a2y s SER 10 Cb 0.14 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.84 1a2y s SER 10 CO 0.71 -0.82 0.17 -0.76 0.41 0.00 0.00 173.24 172.94 1a2y s LEU 11 N -2.82 1.07 -0.22 2.44 1.43 -0.37 -4.90 118.68 115.31 1a2y s LEU 11 Ca 0.04 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1a2y s LEU 11 Cb 0.03 0.51 0.01 0.00 0.03 0.00 0.00 46.19 46.77 1a2y s LEU 11 CO -0.12 -0.10 -0.09 -0.55 0.23 0.00 0.00 176.35 175.73 1a2y s SER 12 N 0.56 4.02 0.18 2.29 0.15 -1.26 -0.34 113.70 119.31 1a2y s SER 12 Ca -0.04 -0.62 -0.08 0.00 0.70 0.00 0.00 55.95 55.91 1a2y s SER 12 Cb -0.05 -1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1a2y s SER 12 CO -0.03 -0.05 0.28 0.00 1.20 0.00 0.00 173.24 174.63 1a2y s ALA 13 N 1.38 0.23 0.21 5.45 0.00 -0.09 -4.76 121.76 124.17 1a2y s ALA 13 Ca 0.04 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.00 1a2y s ALA 13 Cb -0.15 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1a2y s ALA 13 CO -0.06 -0.66 0.04 -1.12 0.00 0.00 0.00 175.76 173.96 1a2y s SER 14 N -3.02 4.91 0.32 0.00 0.01 -1.26 -0.42 113.70 114.24 1a2y s SER 14 Ca 0.22 -0.40 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 1a2y s SER 14 Cb 0.04 -1.08 -0.12 0.00 0.21 0.00 0.00 66.02 65.07 1a2y s SER 14 CO 0.04 0.05 1.45 0.52 0.41 0.00 0.00 173.24 175.71 1a2y n VAL 15 N -0.48 1.54 0.00 3.43 0.31 -1.26 -1.97 118.33 119.90 1a2y n VAL 15 Ca -0.08 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1a2y n VAL 15 Cb 0.56 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1a2y n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a2y n GLY 16 N 1.32 2.09 3.89 2.92 0.00 -0.30 -4.94 105.19 110.16 1a2y n GLY 16 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1a2y n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a2y s GLU 17 N -0.85 3.26 -0.09 1.61 2.02 -0.83 -4.29 118.70 119.53 1a2y s GLU 17 Ca 0.00 0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.35 1a2y s GLU 17 Cb 0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1a2y s GLU 17 CO 0.00 -0.60 -0.12 0.99 0.02 0.00 0.00 175.26 175.55 1a2y s THR 18 N -3.05 3.22 0.13 3.63 2.01 -1.26 -0.90 115.64 119.41 1a2y s THR 18 Ca 0.53 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1a2y s THR 18 Cb -0.11 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1a2y s THR 18 CO 0.49 0.56 -0.11 0.68 -0.69 0.00 0.00 174.62 175.55 1a2y s VAL 19 N -0.21 1.15 -0.01 3.82 -7.23 -0.87 -4.99 120.40 112.07 1a2y s VAL 19 Ca 0.01 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 1a2y s VAL 19 Cb -0.13 -1.71 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 1a2y s VAL 19 CO 0.03 -0.67 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.22 1a2y s THR 20 N -3.00 0.36 -0.04 5.32 2.01 -1.26 -1.46 115.64 117.57 1a2y s THR 20 Ca 0.14 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.01 1a2y s THR 20 Cb 0.01 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 1a2y s THR 20 CO 0.01 0.11 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.17 1a2y s ILE 21 N -0.06 1.94 0.07 1.82 1.01 0.13 -4.80 121.20 121.31 1a2y s ILE 21 Ca 0.01 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1a2y s ILE 21 Cb -0.02 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1a2y s ILE 21 CO -0.00 0.54 -0.04 0.42 0.00 0.00 0.00 174.94 175.86 1a2y s THR 22 N -0.34 3.76 -0.12 2.92 -4.23 -0.48 -1.08 115.64 116.07 1a2y s THR 22 Ca 0.03 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 1a2y s THR 22 Cb -0.11 -2.75 0.05 0.00 1.34 0.00 0.00 72.50 71.03 1a2y s THR 22 CO 0.01 0.19 0.08 0.00 -0.54 0.00 0.00 174.62 174.36 1a2y s ARG 24 N 2.15 2.93 0.03 0.00 0.52 -0.52 -1.10 118.95 122.97 1a2y s ARG 24 Ca 0.03 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 1a2y s ARG 24 Cb -0.14 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 1a2y s ARG 24 CO -0.07 0.29 0.26 0.00 0.02 0.00 0.00 175.30 175.80 1a2y s ALA 25 N 0.09 3.89 -0.99 2.13 0.00 -0.28 -1.04 121.76 125.56 1a2y s ALA 25 Ca -0.10 -0.66 0.16 0.00 0.00 0.00 0.00 51.96 51.37 1a2y s ALA 25 Cb -0.16 -2.00 0.68 0.00 0.00 0.00 0.00 23.12 21.65 1a2y s ALA 25 CO 0.06 0.70 1.51 -1.13 0.00 0.00 0.00 175.76 176.90 1a2y n SER 26 N 0.78 0.01 -3.72 0.00 3.41 -0.54 -4.78 113.62 108.78 1a2y n SER 26 Ca -0.09 0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 58.93 1a2y n SER 26 Cb 0.52 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1a2y n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a2y s GLY 27 N -3.01 -0.13 0.09 5.00 0.00 -1.26 -4.97 107.32 103.04 1a2y s GLY 27 Ca 0.08 -0.27 -0.31 0.00 0.00 0.00 0.00 44.72 44.22 1a2y s GLY 27 CO 0.29 -0.50 1.75 0.21 0.00 0.00 0.00 173.10 174.85 1a2y s ASN 28 N -2.83 6.51 0.00 1.64 3.84 -1.26 -4.74 114.94 118.10 1a2y s ASN 28 Ca 0.04 2.62 0.14 0.00 0.21 0.00 0.00 52.86 55.86 1a2y s ASN 28 Cb 0.03 -2.56 0.23 0.00 -0.55 0.00 0.00 41.25 38.40 1a2y s ASN 28 CO -0.11 -0.95 1.11 2.30 -2.79 0.00 0.00 177.10 176.66 1a2y n ILE 29 N 4.76 0.44 -3.91 -5.21 -5.35 -1.11 -5.03 119.36 103.96 1a2y n ILE 29 Ca 0.17 -0.72 -0.27 0.00 -0.27 0.00 0.00 62.75 61.65 1a2y n ILE 29 Cb 0.39 0.94 0.01 0.00 -1.74 0.00 0.00 39.64 39.24 1a2y n ILE 29 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1a2y n HIS 30 N 0.77 -1.96 -0.82 4.28 8.25 -1.26 -2.03 115.22 122.45 1a2y n HIS 30 Ca 0.11 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 1a2y n HIS 30 Cb 0.40 -3.89 0.00 0.00 1.12 0.00 0.00 29.99 27.62 1a2y n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a2y n ASN 31 N -2.91 -1.22 -4.03 0.41 3.02 -1.26 -4.94 115.26 104.33 1a2y n ASN 31 Ca -0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.99 1a2y n ASN 31 Cb 0.60 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 1a2y n ASN 31 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1a2y n TYR 32 N -2.14 3.66 -4.25 3.10 4.01 -0.86 -2.96 117.16 117.72 1a2y n TYR 32 Ca 0.00 -2.95 -0.19 0.00 -0.16 0.00 0.00 57.90 54.60 1a2y n TYR 32 Cb 0.07 -2.20 -0.15 0.00 -0.31 0.00 0.00 39.34 36.75 1a2y n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1a2y s LEU 33 N 1.14 1.74 0.24 7.72 2.96 -1.26 -1.13 118.68 130.09 1a2y s LEU 33 Ca 0.43 -0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.31 1a2y s LEU 33 Cb 0.07 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.30 1a2y s LEU 33 CO -0.01 0.03 -0.18 0.00 -1.32 0.00 0.00 176.35 174.88 1a2y s ALA 34 N 0.26 2.40 0.01 5.97 0.00 -0.37 -1.32 121.76 128.71 1a2y s ALA 34 Ca -0.03 -1.75 0.06 0.00 0.00 0.00 0.00 51.96 50.24 1a2y s ALA 34 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1a2y s ALA 34 CO 0.00 0.21 -0.18 -1.58 0.00 0.00 0.00 175.76 174.21 1a2y s TRP 35 N -2.58 1.59 0.09 0.00 0.52 -0.15 -1.34 118.94 117.07 1a2y s TRP 35 Ca 0.25 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 56.12 1a2y s TRP 35 Cb -0.04 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.26 1a2y s TRP 35 CO 0.11 0.02 -0.19 0.71 0.02 0.00 0.00 176.95 177.61 1a2y s TYR 36 N -0.59 1.67 -0.05 -1.98 2.02 -0.07 -0.96 117.35 117.40 1a2y s TYR 36 Ca 0.06 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1a2y s TYR 36 Cb -0.07 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1a2y s TYR 36 CO 0.00 0.17 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.86 1a2y s GLN 37 N -1.84 2.52 -0.15 -0.62 0.74 -0.45 -1.68 119.66 118.18 1a2y s GLN 37 Ca 0.05 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 1a2y s GLN 37 Cb -0.10 -2.35 0.04 0.00 1.10 0.00 0.00 33.01 31.70 1a2y s GLN 37 CO 0.04 0.58 -0.01 -1.14 -0.55 0.00 0.00 175.29 174.21 1a2y s GLN 38 N -0.63 0.96 0.47 1.67 0.74 0.44 -1.00 119.66 122.31 1a2y s GLN 38 Ca 0.09 -0.31 -0.13 0.00 0.05 0.00 0.00 55.36 55.06 1a2y s GLN 38 Cb -0.11 -1.75 -0.07 0.00 1.10 0.00 0.00 33.01 32.18 1a2y s GLN 38 CO 0.01 -0.46 0.89 0.15 -0.55 0.00 0.00 175.29 175.32 1a2y s LYS 39 N 1.80 3.84 0.06 1.67 -0.14 -1.26 -1.51 119.74 124.20 1a2y s LYS 39 Ca 0.01 0.71 -0.34 0.00 -1.36 0.00 0.00 55.97 54.99 1a2y s LYS 39 Cb -0.15 -2.25 -0.13 0.00 -1.68 0.00 0.00 37.83 33.62 1a2y s LYS 39 CO -0.07 -0.18 1.74 0.94 -0.76 0.00 0.00 175.35 177.02 1a2y n GLN 40 N -1.54 2.26 -1.04 1.68 -0.06 -1.26 -1.75 117.38 115.67 1a2y n GLN 40 Ca 0.04 0.82 -0.01 0.00 -2.00 0.00 0.00 57.00 55.85 1a2y n GLN 40 Cb 0.54 -2.64 -0.01 0.00 -4.06 0.00 0.00 30.24 24.08 1a2y n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a2y n GLY 41 N 3.93 0.49 3.53 1.69 0.00 -1.26 -5.02 105.19 108.54 1a2y n GLY 41 Ca 0.19 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1a2y n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2y s LYS 42 N -0.97 1.79 0.51 1.61 -0.14 -0.72 -5.15 119.74 116.67 1a2y s LYS 42 Ca 0.00 -2.00 -0.11 0.00 -1.36 0.00 0.00 55.97 52.50 1a2y s LYS 42 Cb 0.00 -1.21 -0.06 0.00 -1.68 0.00 0.00 37.83 34.88 1a2y s LYS 42 CO 0.00 -0.12 0.90 -1.12 -0.76 0.00 0.00 175.35 174.25 1a2y s SER 43 N -3.59 6.41 0.63 2.83 0.01 -1.26 -4.67 113.70 114.07 1a2y s SER 43 Ca 0.36 1.29 -0.18 0.00 1.31 0.00 0.00 55.95 58.73 1a2y s SER 43 Cb 0.09 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1a2y s SER 43 CO 0.17 -0.62 1.21 -2.84 0.41 0.00 0.00 173.24 171.57 1a2y s PRO 44 N -4.46 2.77 -0.03 12.44 0.02 -1.26 -4.64 135.00 139.84 1a2y s PRO 44 Ca 0.54 1.83 0.03 0.00 0.02 0.00 0.00 61.00 63.41 1a2y s PRO 44 Cb -0.10 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 1a2y s PRO 44 CO 0.40 -1.36 -0.12 -0.65 -0.33 0.00 0.00 177.00 174.94 1a2y s GLN 45 N -3.47 1.19 0.18 5.54 -1.52 -0.17 -4.95 119.66 116.46 1a2y s GLN 45 Ca 0.77 -0.42 -0.31 0.00 -1.95 0.00 0.00 55.36 53.45 1a2y s GLN 45 Cb -0.31 -1.09 -0.10 0.00 -0.22 0.00 0.00 33.01 31.29 1a2y s GLN 45 CO 0.36 0.18 1.54 -1.17 -0.25 0.00 0.00 175.29 175.96 1a2y s LEU 46 N 0.04 4.37 -0.13 2.90 2.96 -1.26 -1.34 118.68 126.21 1a2y s LEU 46 Ca -0.01 2.63 -0.06 0.00 -0.22 0.00 0.00 54.13 56.46 1a2y s LEU 46 Cb -0.08 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1a2y s LEU 46 CO 0.01 -0.80 -0.16 0.18 -1.32 0.00 0.00 176.35 174.25 1a2y n LEU 47 N 3.61 1.02 -3.86 -0.68 4.77 -0.13 -4.80 117.00 116.94 1a2y n LEU 47 Ca 0.12 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1a2y n LEU 47 Cb 0.39 -0.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1a2y n LEU 47 CO 0.61 0.29 -0.23 -0.69 -1.33 0.00 0.00 177.39 176.05 1a2y s VAL 48 N -2.24 0.04 0.13 4.08 1.01 -1.11 -1.22 120.40 121.09 1a2y s VAL 48 Ca -0.18 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1a2y s VAL 48 Cb 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1a2y s VAL 48 CO 0.23 -0.18 -0.06 -0.72 0.00 0.00 0.00 175.10 174.37 1a2y s TYR 49 N -0.57 1.10 -1.49 5.22 -0.85 0.05 -0.97 117.35 119.83 1a2y s TYR 49 Ca -0.07 -0.88 -0.02 0.00 -0.52 0.00 0.00 57.07 55.58 1a2y s TYR 49 Cb -0.04 -0.61 0.02 0.00 0.38 0.00 0.00 41.96 41.71 1a2y s TYR 49 CO 0.00 -0.08 0.29 0.98 -1.52 0.00 0.00 175.55 175.23 1a2y n TYR 50 N -0.15 -1.49 0.00 -3.49 9.36 -1.02 -1.54 117.16 118.83 1a2y n TYR 50 Ca -0.10 0.70 0.00 0.00 3.32 0.00 0.00 57.90 61.82 1a2y n TYR 50 Cb 0.61 -3.28 0.00 0.00 -0.63 0.00 0.00 39.34 36.04 1a2y n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1a2y n THR 51 N -4.46 0.00 0.00 2.97 -1.04 -0.44 -4.14 114.28 107.17 1a2y n THR 51 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1a2y n THR 51 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1a2y n THR 51 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1a2y n THR 52 N 0.00 0.00 -2.84 12.58 -2.24 -1.20 -3.59 114.28 116.99 1a2y n THR 52 Ca 0.00 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 1a2y n THR 52 Cb 0.00 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 1a2y n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a2y s THR 53 N -0.87 4.84 0.24 4.28 2.01 -0.59 -4.63 115.64 120.92 1a2y s THR 53 Ca 0.00 1.72 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 1a2y s THR 53 Cb 0.00 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 1a2y s THR 53 CO 0.00 -0.01 1.00 -0.76 -0.69 0.00 0.00 174.62 174.15 1a2y s LEU 54 N 2.33 4.61 0.71 4.42 1.02 -1.26 -0.77 118.68 129.73 1a2y s LEU 54 Ca 0.40 2.04 -0.11 0.00 0.02 0.00 0.00 54.13 56.48 1a2y s LEU 54 Cb -0.16 -3.61 0.02 0.00 0.02 0.00 0.00 46.19 42.45 1a2y s LEU 54 CO 0.12 0.04 1.06 0.00 0.02 0.00 0.00 176.35 177.59 1a2y s ALA 55 N -1.07 2.63 0.24 4.21 0.00 -0.36 -4.91 121.76 122.50 1a2y s ALA 55 Ca 0.43 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 1a2y s ALA 55 Cb -0.28 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 1a2y s ALA 55 CO 0.35 -1.29 1.53 -0.25 0.00 0.00 0.00 175.76 176.10 1a2y n ASP 56 N -3.17 3.27 0.00 0.00 8.00 -1.26 -2.08 116.55 121.31 1a2y n ASP 56 Ca 0.07 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1a2y n ASP 56 Cb 0.54 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1a2y n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2y n GLY 57 N 2.58 2.46 3.71 0.44 0.00 -1.26 -5.02 105.19 108.09 1a2y n GLY 57 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1a2y n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2y s VAL 58 N -2.62 4.21 0.49 1.61 1.01 -0.88 -5.01 120.40 119.20 1a2y s VAL 58 Ca 0.00 1.58 -0.24 0.00 0.00 0.00 0.00 61.98 63.32 1a2y s VAL 58 Cb 0.00 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1a2y s VAL 58 CO 0.00 0.09 1.41 -2.65 0.00 0.00 0.00 175.10 173.95 1a2y n PRO 59 N 4.24 2.06 0.11 2.72 -0.02 -1.26 -4.90 135.00 137.94 1a2y n PRO 59 Ca 0.09 0.74 0.09 0.00 -2.02 0.00 0.00 63.50 62.40 1a2y n PRO 59 Cb 0.47 -2.62 0.43 0.00 -0.02 0.00 0.00 33.50 31.77 1a2y n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1a2y n SER 60 N -0.49 0.45 0.24 2.55 3.41 -1.26 -2.48 113.62 116.04 1a2y n SER 60 Ca 0.07 0.65 0.16 0.00 -0.26 0.00 0.00 58.87 59.50 1a2y n SER 60 Cb 0.43 -0.73 0.74 0.00 -0.26 0.00 0.00 64.21 64.39 1a2y n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1a2y h ARG 61 N 0.00 0.00 -6.21 4.33 0.11 -1.91 -3.42 114.38 107.28 1a2y h ARG 61 Ca 0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 1a2y h ARG 61 Cb 0.18 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.22 1a2y h ARG 61 CO 0.00 0.00 0.02 -0.06 0.10 0.00 0.00 179.97 180.03 1a2y s PHE 62 N -3.67 3.76 -0.09 4.08 0.08 -1.04 -1.33 117.98 119.78 1a2y s PHE 62 Ca 0.00 1.31 -0.06 0.00 0.12 0.00 0.00 56.93 58.29 1a2y s PHE 62 Cb 0.10 -2.61 0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1a2y s PHE 62 CO 0.42 0.44 0.22 -1.54 -0.10 0.00 0.00 175.22 174.67 1a2y s SER 63 N -0.60 -0.23 0.10 1.36 1.04 -0.38 -5.01 113.70 109.97 1a2y s SER 63 Ca 0.32 0.46 0.08 0.00 0.48 0.00 0.00 55.95 57.28 1a2y s SER 63 Cb -0.19 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1a2y s SER 63 CO 0.19 -0.11 -0.16 -0.83 0.98 0.00 0.00 173.24 173.31 1a2y s GLY 64 N 0.59 1.70 0.22 7.32 0.00 -1.26 -0.88 107.32 115.01 1a2y s GLY 64 Ca -0.04 -1.29 -0.10 0.00 0.00 0.00 0.00 44.72 43.29 1a2y s GLY 64 CO -0.03 -1.25 0.39 -1.35 0.00 0.00 0.00 173.10 170.86 1a2y s SER 65 N -2.00 -0.04 0.00 1.64 1.04 -0.57 -4.44 113.70 109.33 1a2y s SER 65 Ca 0.18 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1a2y s SER 65 Cb -0.11 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1a2y s SER 65 CO 0.10 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1a2y n GLY 66 N -0.33 2.24 3.58 7.32 0.00 -1.26 -1.26 105.19 115.47 1a2y n GLY 66 Ca -0.02 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 1a2y n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a2y s SER 67 N 0.00 -0.21 1.98 1.61 1.04 -0.77 -4.97 113.70 112.38 1a2y s SER 67 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1a2y s SER 67 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1a2y s SER 67 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1a2y n GLY 68 N 0.02 1.31 0.52 7.32 0.00 -1.26 -2.16 105.19 110.94 1a2y n GLY 68 Ca -0.03 0.40 0.08 0.00 0.00 0.00 0.00 46.02 46.46 1a2y n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a2y n THR 69 N 0.00 0.00 -4.63 2.61 -2.24 -1.26 -2.75 114.28 106.01 1a2y n THR 69 Ca 0.00 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.08 1a2y n THR 69 Cb 0.00 1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 1a2y n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a2y s GLN 70 N -1.44 1.64 0.08 -0.78 -2.07 -0.92 -1.13 119.66 115.04 1a2y s GLN 70 Ca 0.16 -0.45 -0.00 0.00 -1.82 0.00 0.00 55.36 53.25 1a2y s GLN 70 Cb 0.12 -1.38 -0.04 0.00 -1.09 0.00 0.00 33.01 30.62 1a2y s GLN 70 CO 0.25 0.09 -0.03 0.71 -1.32 0.00 0.00 175.29 174.99 1a2y s TYR 71 N 0.45 0.70 0.01 9.60 1.51 -0.26 -1.85 117.35 127.53 1a2y s TYR 71 Ca -0.11 -1.05 -0.16 0.00 -1.01 0.00 0.00 57.07 54.75 1a2y s TYR 71 Cb -0.14 -0.45 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1a2y s TYR 71 CO 0.03 -0.33 0.34 -1.12 -1.11 0.00 0.00 175.55 173.37 1a2y s SER 72 N -2.98 -0.21 -0.11 2.29 0.01 -0.39 -1.53 113.70 110.78 1a2y s SER 72 Ca 0.12 0.00 0.03 0.00 1.31 0.00 0.00 55.95 57.41 1a2y s SER 72 Cb 0.07 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.67 1a2y s SER 72 CO -0.06 -0.55 -0.21 -0.22 0.41 0.00 0.00 173.24 172.60 1a2y s LEU 73 N -1.70 2.01 -0.03 2.44 2.96 -0.24 -1.51 118.68 122.60 1a2y s LEU 73 Ca -0.09 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1a2y s LEU 73 Cb -0.03 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1a2y s LEU 73 CO 0.01 0.11 -0.25 -0.75 -1.32 0.00 0.00 176.35 174.15 1a2y s LYS 74 N 0.56 2.18 -0.24 1.98 2.20 -0.05 -0.70 119.74 125.68 1a2y s LYS 74 Ca -0.14 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 54.59 1a2y s LYS 74 Cb -0.17 -2.02 0.05 0.00 -1.51 0.00 0.00 37.83 34.18 1a2y s LYS 74 CO 0.05 0.49 -0.11 0.42 -0.36 0.00 0.00 175.35 175.83 1a2y s ILE 75 N -0.46 1.98 -0.10 5.43 1.01 -0.54 -1.25 121.20 127.28 1a2y s ILE 75 Ca 0.06 -1.39 -0.21 0.00 0.00 0.00 0.00 60.65 59.10 1a2y s ILE 75 Cb -0.11 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1a2y s ILE 75 CO 0.00 0.06 0.59 0.20 0.00 0.00 0.00 174.94 175.80 1a2y s ASN 76 N 1.21 6.83 -0.96 3.58 -0.87 -0.44 -2.05 114.94 122.24 1a2y s ASN 76 Ca -0.06 1.00 -0.11 0.00 -1.57 0.00 0.00 52.86 52.12 1a2y s ASN 76 Cb -0.18 -2.35 -0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1a2y s ASN 76 CO -0.07 -0.07 0.73 -1.20 -2.57 0.00 0.00 177.10 173.91 1a2y n SER 77 N 3.82 -5.83 -4.62 -1.22 7.64 -1.08 -4.82 113.62 107.51 1a2y n SER 77 Ca -0.04 -0.77 -0.38 0.00 1.01 0.00 0.00 58.87 58.69 1a2y n SER 77 Cb 0.51 -3.42 0.05 0.00 -1.01 0.00 0.00 64.21 60.34 1a2y n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a2y n LEU 78 N -3.20 3.69 -4.60 -3.43 -0.00 -0.08 -4.49 117.00 104.88 1a2y n LEU 78 Ca -0.13 0.81 -0.26 0.00 -0.00 0.00 0.00 56.01 56.44 1a2y n LEU 78 Cb 0.60 -1.39 -0.10 0.00 -0.00 0.00 0.00 43.42 42.53 1a2y n LEU 78 CO 0.63 -1.83 -0.32 -1.10 -0.00 0.00 0.00 177.39 174.77 1a2y s GLN 79 N -2.74 1.96 0.38 1.47 -1.52 -1.26 -1.15 119.66 116.80 1a2y s GLN 79 Ca 0.75 -1.92 0.15 0.00 -1.95 0.00 0.00 55.36 52.40 1a2y s GLN 79 Cb -0.42 -1.78 1.00 0.00 -0.22 0.00 0.00 33.01 31.59 1a2y s GLN 79 CO 0.47 0.07 1.80 -1.35 -0.25 0.00 0.00 175.29 176.04 1a2y h PRO 80 N 1.85 0.48 0.00 2.91 0.11 -2.00 -0.70 132.00 134.65 1a2y h PRO 80 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1a2y h PRO 80 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1a2y h PRO 80 CO 0.72 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.98 1a2y n GLU 81 N -4.62 0.46 0.09 1.05 0.00 -1.26 -3.33 120.64 113.03 1a2y n GLU 81 Ca 0.23 0.04 0.12 0.00 0.00 0.00 0.00 57.16 57.54 1a2y n GLU 81 Cb 0.73 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.80 1a2y n GLU 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1a2y h ASP 82 N 0.00 0.00 -3.92 -1.84 3.32 -1.53 -3.47 116.42 108.98 1a2y h ASP 82 Ca 0.00 -0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.41 1a2y h ASP 82 Cb 0.18 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.81 1a2y h ASP 82 CO 0.00 0.06 0.67 -0.36 -1.72 0.00 0.00 179.24 177.88 1a2y s PHE 83 N -3.23 2.82 -5.00 4.55 0.08 -1.21 -4.84 117.98 111.16 1a2y s PHE 83 Ca 0.04 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.44 1a2y s PHE 83 Cb 0.11 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 1a2y s PHE 83 CO 0.73 -2.27 0.00 0.41 -0.10 0.00 0.00 175.22 173.99 1a2y n GLY 84 N 0.66 0.46 3.76 4.36 0.00 -0.96 -4.87 105.19 108.61 1a2y n GLY 84 Ca 0.02 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 1a2y n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a2y s SER 85 N -4.00 5.33 -0.01 1.61 0.01 -0.57 -0.98 113.70 115.10 1a2y s SER 85 Ca 0.00 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.12 1a2y s SER 85 Cb 0.00 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 1a2y s SER 85 CO 0.00 0.09 -0.11 -0.31 0.41 0.00 0.00 173.24 173.32 1a2y s TYR 86 N -1.68 0.95 -0.01 2.43 1.51 -0.52 -0.42 117.35 119.62 1a2y s TYR 86 Ca 0.30 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 1a2y s TYR 86 Cb -0.10 -0.61 -0.00 0.00 -0.11 0.00 0.00 41.96 41.13 1a2y s TYR 86 CO 0.22 -0.02 -0.05 0.71 -1.11 0.00 0.00 175.55 175.30 1a2y s TYR 87 N -0.27 0.48 0.09 2.71 2.02 -0.68 -1.72 117.35 119.98 1a2y s TYR 87 Ca 0.04 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1a2y s TYR 87 Cb -0.04 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1a2y s TYR 87 CO -0.00 -0.02 0.25 0.00 -1.57 0.00 0.00 175.55 174.21 1a2y s GLN 89 N -2.72 0.16 0.16 0.00 0.74 -0.45 -1.18 119.66 116.37 1a2y s GLN 89 Ca 0.36 0.34 0.02 0.00 0.05 0.00 0.00 55.36 56.12 1a2y s GLN 89 Cb -0.12 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 1a2y s GLN 89 CO 0.28 -0.10 0.30 -3.38 -0.55 0.00 0.00 175.29 171.84 1a2y s HIS 90 N 0.68 3.49 -0.11 1.67 -3.43 -1.09 -1.23 115.29 115.27 1a2y s HIS 90 Ca -0.05 0.16 0.17 0.00 -0.80 0.00 0.00 55.06 54.55 1a2y s HIS 90 Cb -0.06 -1.70 0.40 0.00 -1.43 0.00 0.00 32.58 29.78 1a2y s HIS 90 CO -0.04 0.49 1.19 1.19 -2.00 0.00 0.00 174.74 175.57 1a2y n PHE 91 N -0.56 0.00 -2.95 0.38 3.01 -0.28 -4.28 117.46 112.79 1a2y n PHE 91 Ca -0.06 -0.98 -0.43 0.00 1.01 0.00 0.00 57.45 56.98 1a2y n PHE 91 Cb 0.54 -0.19 -0.05 0.00 -0.01 0.00 0.00 39.48 39.77 1a2y n PHE 91 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 1a2y s TRP 92 N -1.71 2.85 0.00 1.38 -0.11 -1.26 -4.92 118.94 115.17 1a2y s TRP 92 Ca 0.34 -0.32 0.00 0.00 1.22 0.00 0.00 56.10 57.34 1a2y s TRP 92 Cb 0.36 -3.96 0.00 0.00 -1.50 0.00 0.00 33.47 28.37 1a2y s TRP 92 CO -0.10 -1.32 0.00 0.45 -4.62 0.00 0.00 176.95 171.36 1a2y n SER 93 N 7.08 -0.91 -4.10 5.86 2.88 -1.26 -4.86 113.62 118.32 1a2y n SER 93 Ca -0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.39 1a2y n SER 93 Cb 0.46 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 1a2y n SER 93 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1a2y s THR 94 N 0.00 0.64 0.55 2.46 -4.23 -1.26 -4.50 115.64 109.30 1a2y s THR 94 Ca 0.00 -1.31 -0.16 0.00 -1.18 0.00 0.00 61.69 59.04 1a2y s THR 94 Cb 0.00 -0.92 -0.06 0.00 1.34 0.00 0.00 72.50 72.86 1a2y s THR 94 CO 0.00 -0.49 1.02 -2.16 -0.54 0.00 0.00 174.62 172.45 1a2y s PRO 95 N -2.14 3.67 0.36 3.99 0.04 -1.26 -5.04 135.00 134.62 1a2y s PRO 95 Ca -0.04 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.94 1a2y s PRO 95 Cb -0.06 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1a2y s PRO 95 CO -0.01 -0.51 0.71 1.03 0.04 0.00 0.00 177.00 178.26 1a2y s ARG 96 N -4.14 3.79 0.09 4.56 3.00 -1.26 -4.77 118.95 120.22 1a2y s ARG 96 Ca 0.61 0.40 -0.01 0.00 0.00 0.00 0.00 55.73 56.72 1a2y s ARG 96 Cb -0.12 -2.46 -0.04 0.00 0.00 0.00 0.00 34.95 32.32 1a2y s ARG 96 CO 0.35 0.07 0.02 0.95 0.00 0.00 0.00 175.30 176.68 1a2y s THR 97 N -2.22 0.16 0.20 0.02 -4.23 -1.26 -5.04 115.64 103.28 1a2y s THR 97 Ca 0.50 -1.84 0.10 0.00 -1.18 0.00 0.00 61.69 59.27 1a2y s THR 97 Cb -0.10 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1a2y s THR 97 CO 0.28 -0.75 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.14 1a2y s PHE 98 N -3.98 2.56 0.88 3.99 0.40 -1.26 -2.66 117.98 117.92 1a2y s PHE 98 Ca 0.15 -0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 56.10 1a2y s PHE 98 Cb 0.08 -1.22 0.12 0.00 0.51 0.00 0.00 43.02 42.50 1a2y s PHE 98 CO -0.05 0.55 1.15 0.20 0.70 0.00 0.00 175.22 177.77 1a2y s GLY 99 N -2.99 1.58 0.00 4.36 0.00 -0.32 -4.59 107.32 105.35 1a2y s GLY 99 Ca 0.26 -0.56 0.23 0.00 0.00 0.00 0.00 44.72 44.65 1a2y s GLY 99 CO 0.15 -0.02 1.75 0.61 0.00 0.00 0.00 173.10 175.59 1a2y n GLY 100 N -2.51 -0.94 0.00 0.20 0.00 -1.26 -4.71 105.19 95.96 1a2y n GLY 100 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1a2y n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2y n GLY 101 N 0.59 -0.11 2.85 -0.02 0.00 -1.26 -5.06 105.19 102.17 1a2y n GLY 101 Ca 0.13 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 1a2y n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a2y s THR 102 N -2.95 0.34 -0.42 2.61 2.01 -0.70 -4.58 115.64 111.94 1a2y s THR 102 Ca 0.00 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 1a2y s THR 102 Cb 0.00 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.14 1a2y s THR 102 CO 0.00 0.18 0.35 -0.75 -0.69 0.00 0.00 174.62 173.71 1a2y s LYS 103 N 0.94 3.01 -0.33 4.92 2.20 -0.66 -1.43 119.74 128.39 1a2y s LYS 103 Ca -0.11 -0.98 -0.19 0.00 -0.36 0.00 0.00 55.97 54.33 1a2y s LYS 103 Cb -0.14 -3.99 -0.01 0.00 -1.51 0.00 0.00 37.83 32.18 1a2y s LYS 103 CO -0.01 -0.81 0.55 -1.17 -0.36 0.00 0.00 175.35 173.55 1a2y s LEU 104 N 1.81 4.24 0.16 5.43 2.96 -0.15 -1.24 118.68 131.90 1a2y s LEU 104 Ca 0.07 0.17 0.10 0.00 -0.22 0.00 0.00 54.13 54.25 1a2y s LEU 104 Cb -0.19 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1a2y s LEU 104 CO 0.11 -0.46 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.84 1a2y s GLU 105 N 2.47 1.37 0.24 1.98 2.02 0.54 -2.26 118.70 125.07 1a2y s GLU 105 Ca 0.21 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.48 1a2y s GLU 105 Cb -0.15 -1.63 -0.11 0.00 0.10 0.00 0.00 34.13 32.34 1a2y s GLU 105 CO 0.13 0.35 1.52 0.42 0.02 0.00 0.00 175.26 177.70 1a2y s ILE 106 N -1.63 2.44 -2.00 -1.63 1.01 -1.26 -0.92 121.20 117.21 1a2y s ILE 106 Ca 0.16 0.36 0.25 0.00 0.00 0.00 0.00 60.65 61.42 1a2y s ILE 106 Cb -0.08 -3.23 0.72 0.00 0.01 0.00 0.00 42.46 39.88 1a2y s ILE 106 CO 0.08 0.05 1.87 1.17 0.00 0.00 0.00 174.94 178.11