#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl n ARG 12 N 0.00 1.63 0.00 1.97 1.74 -1.26 -5.11 116.66 115.62 1ibl n ARG 12 Ca 0.00 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 1ibl n ARG 12 Cb 0.00 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1ibl n ARG 12 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ibl n GLN 13 N -0.78 0.00 0.00 5.56 1.13 -1.18 -4.95 117.38 117.16 1ibl n GLN 13 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1ibl n GLN 13 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.17 1ibl n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ibl n VAL 14 N 0.98 0.00 0.00 5.09 0.31 -1.01 -5.02 118.33 118.68 1ibl n VAL 14 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1ibl n VAL 14 Cb 0.00 0.83 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 1ibl n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibl n ALA 15 N -0.72 0.00 -2.62 3.52 0.00 -0.97 -4.53 120.51 115.18 1ibl n ALA 15 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ibl n ALA 15 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ibl n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ibl s SER 16 N -4.00 6.45 0.00 0.00 1.04 -1.26 0.15 113.70 116.08 1ibl s SER 16 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1ibl s SER 16 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.03 1ibl s SER 16 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1ibl n GLY 17 N -0.55 1.14 3.43 7.32 0.00 -0.55 -3.94 105.19 112.05 1ibl n GLY 17 Ca -0.03 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1ibl n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibl s ARG 18 N -0.33 2.28 -0.31 1.61 0.52 -0.95 -1.91 118.95 119.86 1ibl s ARG 18 Ca 0.00 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.36 1ibl s ARG 18 Cb 0.00 -2.24 0.06 0.00 0.52 0.00 0.00 34.95 33.28 1ibl s ARG 18 CO 0.00 0.58 0.02 0.00 0.02 0.00 0.00 175.30 175.93 1ibl s ALA 19 N -0.76 2.85 -0.29 2.13 0.00 -0.93 0.46 121.76 125.22 1ibl s ALA 19 Ca 0.12 -1.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.05 1ibl s ALA 19 Cb -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 1ibl s ALA 19 CO 0.02 -1.35 0.37 0.71 0.00 0.00 0.00 175.76 175.50 1ibl s TYR 20 N 1.22 3.23 -0.24 0.00 1.51 -0.57 -0.16 117.35 122.34 1ibl s TYR 20 Ca -0.03 0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 56.22 1ibl s TYR 20 Cb -0.20 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 1ibl s TYR 20 CO -0.02 -0.29 0.11 0.42 -1.11 0.00 0.00 175.55 174.66 1ibl s ILE 21 N 2.06 4.87 -0.88 2.71 1.01 -0.38 -0.46 121.20 130.12 1ibl s ILE 21 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1ibl s ILE 21 Cb -0.16 -3.26 0.24 0.00 0.01 0.00 0.00 42.46 39.28 1ibl s ILE 21 CO 0.11 0.35 0.87 1.57 0.00 0.00 0.00 174.94 177.84 1ibl n HIS 22 N 4.47 3.83 -1.44 3.97 -0.00 0.10 -1.23 115.22 124.92 1ibl n HIS 22 Ca -0.16 -3.93 -0.31 0.00 -0.00 0.00 0.00 57.72 53.32 1ibl n HIS 22 Cb 0.52 -1.04 0.07 0.00 -0.00 0.00 0.00 29.99 29.54 1ibl n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ibl s ALA 23 N -1.78 2.40 -0.04 1.57 0.00 -0.77 -2.68 121.76 120.47 1ibl s ALA 23 Ca 0.30 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 1ibl s ALA 23 Cb -0.01 -3.26 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1ibl s ALA 23 CO -0.08 -1.53 1.33 -1.54 0.00 0.00 0.00 175.76 173.94 1ibl s SER 24 N -3.32 -0.04 0.46 0.00 1.04 -1.18 -4.18 113.70 106.49 1ibl s SER 24 Ca 0.62 -0.11 0.30 0.00 0.48 0.00 0.00 55.95 57.23 1ibl s SER 24 Cb -0.17 0.12 1.07 0.00 0.10 0.00 0.00 66.02 67.15 1ibl s SER 24 CO 0.52 -0.23 1.86 1.88 0.98 0.00 0.00 173.24 178.25 1ibl h TYR 25 N 2.00 0.00 -0.00 5.02 -1.99 -1.90 -3.17 116.97 116.93 1ibl h TYR 25 Ca -0.30 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.43 1ibl h TYR 25 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1ibl h TYR 25 CO 0.46 0.00 -0.62 0.09 -0.00 0.00 0.00 178.16 178.09 1ibl n ASN 26 N -2.91 0.77 0.00 3.88 3.02 -1.26 -4.78 115.26 113.98 1ibl n ASN 26 Ca 0.02 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1ibl n ASN 26 Cb 0.35 0.93 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 1ibl n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ibl n ASN 27 N -1.18 0.00 -4.70 6.41 5.15 -1.22 -3.57 115.26 116.14 1ibl n ASN 27 Ca 0.03 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.70 1ibl n ASN 27 Cb 0.23 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.40 1ibl n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ibl s THR 28 N -1.96 4.21 -0.16 -0.44 2.01 -1.24 -3.11 115.64 114.94 1ibl s THR 28 Ca 0.00 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.20 1ibl s THR 28 Cb 0.00 -2.94 0.07 0.00 0.01 0.00 0.00 72.50 69.64 1ibl s THR 28 CO 0.00 0.26 0.36 0.27 -0.69 0.00 0.00 174.62 174.82 1ibl s ILE 29 N -1.20 -0.33 0.10 1.82 -4.36 -1.09 -2.55 121.20 113.59 1ibl s ILE 29 Ca 0.23 0.17 0.05 0.00 -0.26 0.00 0.00 60.65 60.84 1ibl s ILE 29 Cb -0.12 -0.57 -0.04 0.00 1.25 0.00 0.00 42.46 42.99 1ibl s ILE 29 CO 0.15 0.07 0.00 0.68 0.24 0.00 0.00 174.94 176.08 1ibl s VAL 30 N 2.03 4.01 -0.15 8.37 -7.23 -0.58 0.01 120.40 126.85 1ibl s VAL 30 Ca -0.04 -1.03 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 1ibl s VAL 30 Cb -0.11 -2.92 0.06 0.00 0.56 0.00 0.00 36.38 33.97 1ibl s VAL 30 CO -0.11 0.09 0.09 -0.89 -0.31 0.00 0.00 175.10 173.97 1ibl s THR 31 N -1.36 -0.10 0.07 5.32 2.01 0.39 -0.88 115.64 121.10 1ibl s THR 31 Ca 0.26 -0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 1ibl s THR 31 Cb -0.11 -0.52 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 1ibl s THR 31 CO 0.19 -0.22 0.84 -0.63 -0.69 0.00 0.00 174.62 174.10 1ibl s ILE 32 N 2.15 4.63 0.38 1.82 -1.09 0.13 -1.52 121.20 127.70 1ibl s ILE 32 Ca 0.02 1.79 0.06 0.00 -2.23 0.00 0.00 60.65 60.30 1ibl s ILE 32 Cb -0.16 -4.19 -0.07 0.00 -1.58 0.00 0.00 42.46 36.46 1ibl s ILE 32 CO -0.08 0.35 0.02 0.28 -1.23 0.00 0.00 174.94 174.28 1ibl s THR 33 N -0.07 1.78 0.35 2.92 -1.32 0.17 -0.19 115.64 119.29 1ibl s THR 33 Ca 0.41 -2.01 -0.11 0.00 -1.21 0.00 0.00 61.69 58.77 1ibl s THR 33 Cb -0.22 -2.91 -0.07 0.00 -1.51 0.00 0.00 72.50 67.80 1ibl s THR 33 CO 0.26 -0.02 0.71 1.51 -2.21 0.00 0.00 174.62 174.87 1ibl s ASP 34 N -3.64 6.58 0.21 8.08 -4.77 0.45 -2.24 116.67 121.34 1ibl s ASP 34 Ca 0.35 1.09 0.04 0.00 -3.30 0.00 0.00 52.55 50.73 1ibl s ASP 34 Cb 0.09 -2.30 0.13 0.00 -1.09 0.00 0.00 42.92 39.76 1ibl s ASP 34 CO 0.17 -0.29 0.37 -2.65 0.70 0.00 0.00 175.17 173.47 1ibl n PRO 35 N -0.91 0.01 -2.49 2.11 -0.02 -1.25 -0.85 135.00 131.59 1ibl n PRO 35 Ca 0.02 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 1ibl n PRO 35 Cb 0.54 -0.84 0.03 0.00 -0.02 0.00 0.00 33.50 33.21 1ibl n PRO 35 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ibl n ASP 36 N -1.50 3.20 0.00 2.55 3.85 -1.26 -4.91 116.55 118.48 1ibl n ASP 36 Ca 0.03 -3.05 0.00 0.00 -0.71 0.00 0.00 54.79 51.07 1ibl n ASP 36 Cb 0.41 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 1ibl n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ibl n GLY 37 N -0.48 3.04 3.68 6.12 0.00 -0.03 -5.04 105.19 112.49 1ibl n GLY 37 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1ibl n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibl s ASN 38 N -0.19 7.14 0.19 1.61 -0.87 -1.25 -4.70 114.94 116.87 1ibl s ASN 38 Ca 0.00 1.65 -0.32 0.00 -1.57 0.00 0.00 52.86 52.62 1ibl s ASN 38 Cb 0.00 -2.56 -0.12 0.00 -0.02 0.00 0.00 41.25 38.56 1ibl s ASN 38 CO 0.00 -0.53 1.73 -2.16 -2.57 0.00 0.00 177.10 173.57 1ibl s PRO 39 N 2.22 4.13 -0.15 -0.60 0.04 -1.26 0.17 135.00 139.55 1ibl s PRO 39 Ca 0.52 2.59 -0.16 0.00 0.04 0.00 0.00 61.00 63.98 1ibl s PRO 39 Cb -0.21 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.04 1ibl s PRO 39 CO 0.19 -0.76 0.22 0.82 0.04 0.00 0.00 177.00 177.51 1ibl h ILE 40 N 3.96 0.73 -3.06 0.56 2.04 -0.84 -3.45 117.51 117.45 1ibl h ILE 40 Ca -0.43 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 63.70 1ibl h ILE 40 Cb 1.20 1.52 -0.13 0.00 -0.74 0.00 0.00 36.82 38.68 1ibl h ILE 40 CO 0.95 0.25 0.10 0.42 0.00 0.00 0.00 178.15 179.87 1ibl s THR 41 N -2.12 0.03 0.15 -0.27 -4.23 -0.96 -5.02 115.64 103.21 1ibl s THR 41 Ca -0.17 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.12 1ibl s THR 41 Cb 0.01 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 1ibl s THR 41 CO 0.40 -0.12 0.08 -1.66 -0.54 0.00 0.00 174.62 172.79 1ibl s TRP 42 N -3.51 0.93 0.19 3.99 1.48 -1.26 0.17 118.94 120.93 1ibl s TRP 42 Ca 0.00 -1.26 -0.17 0.00 -1.06 0.00 0.00 56.10 53.61 1ibl s TRP 42 Cb -0.00 -0.49 0.03 0.00 -1.16 0.00 0.00 33.47 31.85 1ibl s TRP 42 CO -0.10 -0.56 0.51 0.45 -4.06 0.00 0.00 176.95 173.19 1ibl s SER 43 N -3.08 -0.25 0.38 -2.66 0.15 -0.06 -4.76 113.70 103.42 1ibl s SER 43 Ca 0.28 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.32 1ibl s SER 43 Cb 0.07 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 1ibl s SER 43 CO 0.05 -1.04 0.71 -0.94 1.20 0.00 0.00 173.24 173.22 1ibl s SER 44 N -2.88 0.29 0.30 5.45 1.04 -1.26 -1.53 113.70 115.11 1ibl s SER 44 Ca 0.09 -1.27 0.10 0.00 0.48 0.00 0.00 55.95 55.35 1ibl s SER 44 Cb -0.01 0.81 0.46 0.00 0.10 0.00 0.00 66.02 67.39 1ibl s SER 44 CO -0.03 -1.61 1.68 1.23 0.98 0.00 0.00 173.24 175.49 1ibl h GLY 45 N 2.02 0.06 1.22 7.32 0.00 -1.75 -2.29 103.07 109.66 1ibl h GLY 45 Ca -0.32 -0.06 -0.28 0.00 0.00 0.00 0.00 47.33 46.66 1ibl h GLY 45 CO 0.41 0.06 -1.15 -1.33 0.00 0.00 0.00 176.54 174.52 1ibl h GLY 46 N 1.52 0.75 -0.38 4.60 0.00 -1.87 -3.13 103.07 104.57 1ibl h GLY 46 Ca -0.00 -1.44 0.27 0.00 0.00 0.00 0.00 47.33 46.16 1ibl h GLY 46 CO 0.07 1.27 0.49 -2.08 0.00 0.00 0.00 176.54 176.29 1ibl h VAL 47 N 0.34 0.38 -0.97 4.60 2.07 -1.76 -3.39 116.25 117.52 1ibl h VAL 47 Ca -0.16 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ibl h VAL 47 Cb 1.81 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1ibl h VAL 47 CO 0.22 0.07 0.00 -0.38 0.02 0.00 0.00 177.57 177.50 1ibl n ILE 48 N -5.04 0.00 0.29 4.57 5.41 -0.91 -4.91 119.36 118.78 1ibl n ILE 48 Ca 0.27 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.90 1ibl n ILE 48 Cb 0.83 -0.65 -0.06 0.00 -0.71 0.00 0.00 39.64 39.05 1ibl n ILE 48 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1ibl h GLY 49 N 0.00 -0.82 -5.23 7.39 0.00 -1.76 -3.46 103.07 99.18 1ibl h GLY 49 Ca 0.00 0.30 -0.68 0.00 0.00 0.00 0.00 47.33 46.95 1ibl h GLY 49 CO 0.00 -0.30 0.13 -1.72 0.00 0.00 0.00 176.54 174.65 1ibl n TYR 50 N -5.01 0.69 -0.02 5.60 0.53 -1.25 -4.92 117.16 112.78 1ibl n TYR 50 Ca -0.10 0.91 0.07 0.00 -1.02 0.00 0.00 57.90 57.77 1ibl n TYR 50 Cb 0.31 -1.80 -0.14 0.00 -1.03 0.00 0.00 39.34 36.69 1ibl n TYR 50 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1ibl n LYS 51 N 1.59 0.61 0.00 -0.72 4.81 -1.26 -4.19 118.16 119.01 1ibl n LYS 51 Ca 0.18 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1ibl n LYS 51 Cb 0.05 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1ibl n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibl n GLY 52 N 1.54 0.43 0.39 3.14 0.00 -1.26 -4.92 105.19 104.51 1ibl n GLY 52 Ca -0.06 0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.22 1ibl n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ibl h SER 53 N 0.00 0.34 -0.56 1.61 0.87 -1.96 -2.66 113.55 111.19 1ibl h SER 53 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ibl h SER 53 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1ibl h SER 53 CO 0.00 0.17 0.00 -2.11 -0.53 0.00 0.00 176.83 174.36 1ibl n ARG 54 N -4.47 2.63 0.28 2.24 0.00 -1.26 -4.14 116.66 111.95 1ibl n ARG 54 Ca 0.15 -2.49 0.13 0.00 -0.00 0.00 0.00 57.85 55.63 1ibl n ARG 54 Cb 0.58 -1.55 0.82 0.00 -0.00 0.00 0.00 32.46 32.31 1ibl n ARG 54 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1ibl h LYS 55 N 4.46 0.00 -0.01 2.89 1.57 -1.72 -1.80 116.57 121.96 1ibl h LYS 55 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1ibl h LYS 55 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.32 1ibl h LYS 55 CO 0.00 0.02 -0.98 0.78 -0.57 0.00 0.00 179.45 178.70 1ibl h GLY 56 N 0.09 0.66 -3.32 3.86 0.00 -1.72 -3.28 103.07 99.36 1ibl h GLY 56 Ca -0.00 -1.13 -0.45 0.00 0.00 0.00 0.00 47.33 45.75 1ibl h GLY 56 CO 0.00 1.00 -0.43 -0.37 0.00 0.00 0.00 176.54 176.74 1ibl n THR 57 N -3.82 1.15 -0.14 4.70 5.66 -0.68 -4.40 114.28 116.75 1ibl n THR 57 Ca -0.09 -0.34 0.08 0.00 -3.05 0.00 0.00 64.05 60.65 1ibl n THR 57 Cb 0.85 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 70.03 1ibl n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1ibl h PRO 58 N 0.57 0.61 0.26 1.09 0.13 -1.88 -2.26 132.00 130.52 1ibl h PRO 58 Ca -0.21 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1ibl h PRO 58 Cb 0.99 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1ibl h PRO 58 CO 0.37 0.41 -0.29 -0.92 -0.23 0.00 0.00 178.00 177.34 1ibl h TYR 59 N 0.63 -0.80 -0.99 1.56 3.20 -1.92 -0.38 116.97 118.27 1ibl h TYR 59 Ca 0.29 0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.45 1ibl h TYR 59 Cb 0.33 0.32 -0.18 0.00 1.54 0.00 0.00 36.73 38.74 1ibl h TYR 59 CO -0.00 -0.38 0.06 0.00 -1.64 0.00 0.00 178.16 176.20 1ibl h ALA 60 N -1.24 1.24 -0.85 1.82 0.00 -1.73 2.17 119.26 120.66 1ibl h ALA 60 Ca -0.03 0.34 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1ibl h ALA 60 Cb 0.49 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1ibl h ALA 60 CO -0.05 -0.60 0.49 0.00 0.00 0.00 0.00 179.25 179.09 1ibl h ALA 61 N 1.99 1.22 0.36 0.00 0.00 -0.65 0.12 119.26 122.31 1ibl h ALA 61 Ca 0.62 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.55 1ibl h ALA 61 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ibl h ALA 61 CO -0.92 0.09 -0.17 0.37 0.00 0.00 0.00 179.25 178.62 1ibl h GLN 62 N 0.80 -0.47 -0.20 0.00 4.15 0.51 -1.26 115.11 118.64 1ibl h GLN 62 Ca 0.42 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.92 1ibl h GLN 62 Cb 0.41 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.14 1ibl h GLN 62 CO -0.26 -0.21 -0.32 -0.07 -1.93 0.00 0.00 178.83 176.03 1ibl h LEU 63 N -0.66 -1.01 0.10 -2.39 3.38 -0.49 0.13 115.31 114.37 1ibl h LEU 63 Ca -0.05 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1ibl h LEU 63 Cb 0.47 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1ibl h LEU 63 CO 0.08 -0.35 -0.49 0.00 0.09 0.00 0.00 178.44 177.78 1ibl h ALA 64 N 0.52 -0.89 -0.58 1.53 0.00 -0.72 0.46 119.26 119.57 1ibl h ALA 64 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1ibl h ALA 64 Cb 0.54 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1ibl h ALA 64 CO -0.40 -1.07 -0.13 0.00 0.00 0.00 0.00 179.25 177.65 1ibl h ALA 65 N -0.37 0.41 -0.27 0.00 0.00 -0.80 0.30 119.26 118.52 1ibl h ALA 65 Ca 0.01 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1ibl h ALA 65 Cb 0.73 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1ibl h ALA 65 CO -0.29 -0.43 0.09 -0.07 0.00 0.00 0.00 179.25 178.55 1ibl h LEU 66 N 0.01 0.09 0.15 0.00 3.38 0.26 -0.82 115.31 118.38 1ibl h LEU 66 Ca 0.28 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1ibl h LEU 66 Cb 0.43 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1ibl h LEU 66 CO -0.59 0.09 -0.46 -0.78 0.09 0.00 0.00 178.44 176.79 1ibl h ASP 67 N 0.21 -1.38 -0.98 -0.43 -0.00 0.23 -1.24 116.42 112.83 1ibl h ASP 67 Ca 0.12 0.14 0.32 0.00 -0.00 0.00 0.00 57.03 57.61 1ibl h ASP 67 Cb 0.09 0.50 -0.16 0.00 -0.00 0.00 0.00 39.33 39.77 1ibl h ASP 67 CO -0.13 -0.50 0.48 0.00 -0.00 0.00 0.00 179.24 179.09 1ibl h ALA 68 N -0.72 1.85 -2.14 -0.78 0.00 -0.16 -2.04 119.26 115.28 1ibl h ALA 68 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ibl h ALA 68 Cb 0.68 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ibl h ALA 68 CO -0.23 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.40 1ibl n ALA 69 N -2.39 -0.13 -0.10 0.00 0.00 -0.35 -1.85 120.51 115.69 1ibl n ALA 69 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1ibl n ALA 69 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1ibl n ALA 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ibl n LYS 70 N -0.93 0.00 -0.29 0.00 5.02 -0.93 0.27 118.16 121.31 1ibl n LYS 70 Ca 0.00 0.49 0.28 0.00 -2.02 0.00 0.00 58.31 57.06 1ibl n LYS 70 Cb 0.00 -0.75 0.52 0.00 -0.02 0.00 0.00 35.03 34.77 1ibl n LYS 70 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ibl n LYS 71 N -2.21 -0.05 0.06 1.97 5.02 -0.80 0.14 118.16 122.30 1ibl n LYS 71 Ca 0.00 1.20 -0.04 0.00 -2.02 0.00 0.00 58.31 57.45 1ibl n LYS 71 Cb 0.00 -2.16 -0.08 0.00 -0.02 0.00 0.00 35.03 32.77 1ibl n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibl h ALA 72 N 1.73 0.56 -0.16 7.82 0.00 0.46 -3.28 119.26 126.39 1ibl h ALA 72 Ca 0.74 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1ibl h ALA 72 Cb 1.99 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1ibl h ALA 72 CO -0.66 1.10 -0.36 0.52 0.00 0.00 0.00 179.25 179.85 1ibl h MET 73 N 0.00 0.34 -0.48 0.00 2.86 0.53 -2.17 114.93 116.01 1ibl h MET 73 Ca -0.08 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1ibl h MET 73 Cb 1.69 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.31 1ibl h MET 73 CO 0.09 0.65 0.33 0.00 1.06 0.00 0.00 176.91 179.04 1ibl h ALA 74 N 1.34 2.19 0.00 6.32 0.00 -1.34 0.82 119.26 128.59 1ibl h ALA 74 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ibl h ALA 74 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ibl h ALA 74 CO 0.06 -0.31 0.00 0.66 0.00 0.00 0.00 179.25 179.66 1ibl n TYR 75 N -4.45 0.00 -0.19 0.00 4.02 -0.84 -4.03 117.16 111.67 1ibl n TYR 75 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1ibl n TYR 75 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1ibl n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibl n GLY 76 N 0.66 0.61 3.70 2.72 0.00 0.28 -2.41 105.19 110.76 1ibl n GLY 76 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1ibl n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ibl n MET 77 N -2.00 0.33 -0.56 1.61 2.81 -1.06 -2.30 117.12 115.95 1ibl n MET 77 Ca 0.00 0.19 -0.01 0.00 -1.81 0.00 0.00 57.70 56.07 1ibl n MET 77 Cb 0.00 -2.46 -0.01 0.00 -0.71 0.00 0.00 33.22 30.04 1ibl n MET 77 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ibl n GLN 78 N -3.06 0.00 0.00 0.03 10.64 0.41 -4.54 117.38 120.86 1ibl n GLN 78 Ca 0.14 -0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1ibl n GLN 78 Cb 0.50 0.49 0.00 0.00 -0.86 0.00 0.00 30.24 30.37 1ibl n GLN 78 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ibl n SER 79 N 0.00 0.00 -3.79 2.61 2.88 -1.17 -3.62 113.62 110.53 1ibl n SER 79 Ca -0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.38 1ibl n SER 79 Cb 0.31 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.68 1ibl n SER 79 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ibl s VAL 80 N -0.10 0.06 -0.36 2.46 1.01 0.14 -1.48 120.40 122.13 1ibl s VAL 80 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 1ibl s VAL 80 Cb 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1ibl s VAL 80 CO 0.00 -0.28 0.23 -1.81 0.00 0.00 0.00 175.10 173.24 1ibl s ASP 81 N -1.27 5.89 0.36 3.32 1.11 -0.80 0.51 116.67 125.79 1ibl s ASP 81 Ca -0.13 -0.74 -0.25 0.00 0.18 0.00 0.00 52.55 51.61 1ibl s ASP 81 Cb -0.06 -2.09 -0.09 0.00 1.07 0.00 0.00 42.92 41.75 1ibl s ASP 81 CO 0.03 -0.33 1.01 -0.69 1.18 0.00 0.00 175.17 176.37 1ibl s VAL 82 N 1.64 3.91 -0.27 -1.27 1.01 0.28 -2.18 120.40 123.52 1ibl s VAL 82 Ca 0.04 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.54 1ibl s VAL 82 Cb -0.18 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.46 1ibl s VAL 82 CO 0.08 0.07 0.04 -0.63 0.00 0.00 0.00 175.10 174.66 1ibl s ILE 83 N -1.63 1.14 -0.07 2.22 1.01 0.77 -1.59 121.20 123.06 1ibl s ILE 83 Ca 0.54 -1.29 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 1ibl s ILE 83 Cb -0.21 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1ibl s ILE 83 CO 0.26 -0.41 0.61 -0.69 0.00 0.00 0.00 174.94 174.71 1ibl s VAL 84 N 1.52 5.06 0.09 2.92 1.01 0.45 -1.25 120.40 130.20 1ibl s VAL 84 Ca 0.03 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1ibl s VAL 84 Cb -0.18 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1ibl s VAL 84 CO -0.15 0.31 -0.10 -0.13 0.00 0.00 0.00 175.10 175.03 1ibl s ARG 85 N 0.56 0.82 0.17 2.72 0.52 -0.36 0.15 118.95 123.52 1ibl s ARG 85 Ca 0.33 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1ibl s ARG 85 Cb -0.17 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.74 1ibl s ARG 85 CO 0.16 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.98 1ibl n GLY 86 N 0.73 -3.15 2.87 -3.53 0.00 -1.26 -1.84 105.19 99.01 1ibl n GLY 86 Ca -0.17 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 1ibl n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ibl n THR 87 N -1.85 1.71 -4.26 2.61 -1.04 -1.26 -4.59 114.28 105.60 1ibl n THR 87 Ca -0.00 -4.90 -0.12 0.00 -2.04 0.00 0.00 64.05 56.98 1ibl n THR 87 Cb 0.14 -2.19 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 1ibl n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibl n GLY 88 N 1.87 3.80 3.91 3.41 0.00 -1.26 -4.68 105.19 112.24 1ibl n GLY 88 Ca 0.21 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 1ibl n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl s ALA 89 N -2.45 2.79 0.00 4.61 0.00 -1.20 -3.67 121.76 121.83 1ibl s ALA 89 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1ibl s ALA 89 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1ibl s ALA 89 CO 0.04 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1ibl n GLY 90 N -3.21 1.71 0.00 0.00 0.00 -1.26 -4.24 105.19 98.18 1ibl n GLY 90 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ibl n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ibl n ARG 91 N -1.65 0.00 -0.02 1.61 0.63 -1.24 -0.70 116.66 115.30 1ibl n ARG 91 Ca 0.00 0.16 0.21 0.00 -0.92 0.00 0.00 57.85 57.30 1ibl n ARG 91 Cb 0.00 -0.83 0.47 0.00 0.45 0.00 0.00 32.46 32.55 1ibl n ARG 91 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ibl h GLU 92 N 0.00 0.00 -0.11 -0.14 4.57 -1.88 0.18 114.58 117.20 1ibl h GLU 92 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1ibl h GLU 92 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ibl h GLU 92 CO 0.00 0.00 -0.37 0.37 -1.18 0.00 0.00 179.01 177.83 1ibl h GLN 93 N 0.00 0.45 -0.28 1.92 -0.00 -1.73 -2.67 115.11 112.80 1ibl h GLN 93 Ca 0.31 -0.33 -0.08 0.00 -0.00 0.00 0.00 58.65 58.54 1ibl h GLN 93 Cb 2.19 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 29.71 1ibl h GLN 93 CO -0.00 0.96 -0.19 0.00 0.00 0.00 0.00 178.83 179.60 1ibl h ALA 94 N 0.49 1.16 -0.80 3.38 0.00 0.16 0.73 119.26 124.38 1ibl h ALA 94 Ca -0.01 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1ibl h ALA 94 Cb 1.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1ibl h ALA 94 CO 0.08 0.53 0.51 0.82 0.00 0.00 0.00 179.25 181.19 1ibl h ILE 95 N 0.45 1.10 -0.39 0.00 2.04 -1.39 0.13 117.51 119.45 1ibl h ILE 95 Ca 0.08 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1ibl h ILE 95 Cb 0.58 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ibl h ILE 95 CO 0.04 0.18 -0.29 0.03 0.00 0.00 0.00 178.15 178.11 1ibl h ARG 96 N 0.98 0.83 0.09 2.37 -0.00 -1.00 -3.07 114.38 114.58 1ibl h ARG 96 Ca 0.33 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1ibl h ARG 96 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 1ibl h ARG 96 CO -0.13 1.01 -0.11 0.00 0.00 0.00 0.00 179.97 180.74 1ibl h ALA 97 N 0.97 -0.79 -1.51 0.04 0.00 0.11 -0.46 119.26 117.62 1ibl h ALA 97 Ca 0.08 -0.04 0.49 0.00 0.00 0.00 0.00 54.91 55.44 1ibl h ALA 97 Cb 0.83 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 1ibl h ALA 97 CO 0.07 -0.80 1.01 -0.07 0.00 0.00 0.00 179.25 179.46 1ibl h LEU 98 N -0.21 0.16 -0.21 0.00 3.38 -0.89 0.79 115.31 118.33 1ibl h LEU 98 Ca -0.01 0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1ibl h LEU 98 Cb 0.19 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ibl h LEU 98 CO -0.03 -0.17 -0.37 1.56 0.09 0.00 0.00 178.44 179.52 1ibl h GLN 99 N 0.02 0.62 0.00 1.13 4.20 -1.13 -2.90 115.11 117.06 1ibl h GLN 99 Ca 0.88 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1ibl h GLN 99 Cb 3.00 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.82 1ibl h GLN 99 CO -0.33 1.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.83 1ibl n ALA 100 N -2.51 1.92 -1.32 3.87 0.00 0.26 -4.77 120.51 117.95 1ibl n ALA 100 Ca -0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1ibl n ALA 100 Cb 0.52 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.72 1ibl n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ibl n SER 101 N -1.95 -0.72 0.37 0.00 3.41 0.02 -4.99 113.62 109.77 1ibl n SER 101 Ca 0.04 -1.11 -0.15 0.00 -0.26 0.00 0.00 58.87 57.39 1ibl n SER 101 Cb 0.28 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 1ibl n SER 101 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ibl h GLY 102 N -1.40 -1.01 -3.96 5.00 0.00 -1.86 -3.45 103.07 96.39 1ibl h GLY 102 Ca -0.25 0.37 -0.53 0.00 0.00 0.00 0.00 47.33 46.92 1ibl h GLY 102 CO 0.17 -0.37 -0.47 1.04 0.00 0.00 0.00 176.54 176.91 1ibl n LEU 103 N -5.42 -1.18 -4.71 3.11 4.77 -1.26 -4.91 117.00 107.40 1ibl n LEU 103 Ca -0.12 0.88 -0.37 0.00 -0.03 0.00 0.00 56.01 56.36 1ibl n LEU 103 Cb 0.38 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1ibl n LEU 103 CO 0.30 -2.54 0.05 -1.58 -1.33 0.00 0.00 177.39 172.29 1ibl s GLN 104 N -0.81 4.26 -0.86 3.23 0.74 -1.24 -4.67 119.66 120.31 1ibl s GLN 104 Ca 0.51 0.20 -0.22 0.00 0.05 0.00 0.00 55.36 55.90 1ibl s GLN 104 Cb -0.72 -3.45 0.08 0.00 1.10 0.00 0.00 33.01 30.02 1ibl s GLN 104 CO 0.46 0.15 1.18 0.08 -0.55 0.00 0.00 175.29 176.61 1ibl s VAL 105 N 0.70 4.31 -0.81 1.34 1.01 -1.26 0.25 120.40 125.94 1ibl s VAL 105 Ca 0.19 -0.84 0.21 0.00 0.00 0.00 0.00 61.98 61.54 1ibl s VAL 105 Cb -0.14 -4.84 0.20 0.00 0.00 0.00 0.00 36.38 31.60 1ibl s VAL 105 CO 0.06 -1.64 1.65 0.29 0.00 0.00 0.00 175.10 175.46 1ibl n LYS 106 N 7.75 0.09 -3.64 2.72 4.76 0.18 -4.90 118.16 125.11 1ibl n LYS 106 Ca 0.17 0.26 0.01 0.00 -2.87 0.00 0.00 58.31 55.87 1ibl n LYS 106 Cb 0.49 -1.65 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 1ibl n LYS 106 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ibl s SER 107 N -3.55 -0.08 -0.11 4.39 1.04 -1.22 -4.93 113.70 109.25 1ibl s SER 107 Ca 0.08 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 1ibl s SER 107 Cb 0.11 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1ibl s SER 107 CO 0.38 -0.41 0.26 -0.63 0.98 0.00 0.00 173.24 173.83 1ibl s ILE 108 N -2.58 -0.02 -0.14 -1.02 1.01 -1.26 -0.55 121.20 116.64 1ibl s ILE 108 Ca 0.14 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 1ibl s ILE 108 Cb 0.04 -0.39 0.07 0.00 0.01 0.00 0.00 42.46 42.19 1ibl s ILE 108 CO -0.03 0.03 0.29 -0.69 0.00 0.00 0.00 174.94 174.55 1ibl s VAL 109 N 0.81 -0.45 -0.08 2.92 1.01 -0.62 -4.96 120.40 119.03 1ibl s VAL 109 Ca -0.05 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 1ibl s VAL 109 Cb -0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1ibl s VAL 109 CO -0.05 0.11 0.83 -0.62 0.00 0.00 0.00 175.10 175.36 1ibl s ASP 110 N 2.44 7.09 -0.06 3.32 -1.08 -1.26 0.17 116.67 127.29 1ibl s ASP 110 Ca 0.01 1.32 0.20 0.00 -0.52 0.00 0.00 52.55 53.56 1ibl s ASP 110 Cb -0.12 -2.47 0.39 0.00 -1.46 0.00 0.00 42.92 39.26 1ibl s ASP 110 CO -0.09 -0.25 1.17 -0.67 0.52 0.00 0.00 175.17 175.85 1ibl n ASP 111 N 4.28 1.16 -4.68 -0.34 2.03 0.39 -4.89 116.55 114.52 1ibl n ASP 111 Ca 0.03 -2.55 -0.51 0.00 0.52 0.00 0.00 54.79 52.28 1ibl n ASP 111 Cb 0.50 -0.36 -0.05 0.00 -0.72 0.00 0.00 41.12 40.49 1ibl n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1ibl n THR 112 N -0.04 0.32 -1.96 5.18 -1.04 -1.22 -4.86 114.28 110.66 1ibl n THR 112 Ca 0.09 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.71 1ibl n THR 112 Cb 0.97 -1.50 0.03 0.00 -1.82 0.00 0.00 70.33 68.01 1ibl n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ibl s PRO 113 N 2.87 3.08 -0.16 -2.82 0.04 -1.26 -4.93 135.00 131.83 1ibl s PRO 113 Ca 0.91 1.39 -0.08 0.00 0.04 0.00 0.00 61.00 63.26 1ibl s PRO 113 Cb -0.82 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 31.79 1ibl s PRO 113 CO 0.52 -1.02 0.36 0.54 0.04 0.00 0.00 177.00 177.44 1ibl s VAL 114 N -2.24 -0.14 0.38 -0.36 0.11 -1.26 -5.01 120.40 111.88 1ibl s VAL 114 Ca 0.67 0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 59.59 1ibl s VAL 114 Cb -0.20 -0.55 -0.09 0.00 -1.53 0.00 0.00 36.38 34.01 1ibl s VAL 114 CO 0.36 0.05 1.18 -2.84 -3.33 0.00 0.00 175.10 170.53 1ibl s PRO 115 N 1.61 4.14 -0.11 1.54 0.02 -1.26 -4.85 135.00 136.10 1ibl s PRO 115 Ca -0.08 1.89 0.01 0.00 0.02 0.00 0.00 61.00 62.84 1ibl s PRO 115 Cb -0.10 -2.77 0.15 0.00 0.02 0.00 0.00 34.50 31.80 1ibl s PRO 115 CO -0.11 -0.26 1.30 0.72 -0.33 0.00 0.00 177.00 178.32 1ibl n HIS 116 N 0.27 0.70 -0.96 6.54 8.25 -1.26 -4.71 115.22 124.05 1ibl n HIS 116 Ca 0.03 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.61 1ibl n HIS 116 Cb 0.46 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1ibl n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ibl n ASN 117 N 0.22 -1.28 -0.00 0.41 3.02 -1.26 -5.12 115.26 111.25 1ibl n ASN 117 Ca 0.14 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1ibl n ASN 117 Cb 0.74 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1ibl n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibl n GLY 118 N -0.28 -0.14 3.74 7.41 0.00 -1.26 -5.07 105.19 109.59 1ibl n GLY 118 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ibl n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl n ARG 120 N 2.44 2.10 -0.89 0.00 0.63 -1.26 -4.91 116.66 114.76 1ibl n ARG 120 Ca -0.19 0.71 -0.30 0.00 -0.92 0.00 0.00 57.85 57.16 1ibl n ARG 120 Cb 0.54 -2.81 0.16 0.00 0.45 0.00 0.00 32.46 30.80 1ibl n ARG 120 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ibl s PRO 121 N 4.95 0.88 0.71 -0.14 0.04 -1.26 -4.98 135.00 135.21 1ibl s PRO 121 Ca 0.96 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 1ibl s PRO 121 Cb -0.60 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.23 1ibl s PRO 121 CO 0.46 -2.60 1.14 0.15 0.04 0.00 0.00 177.00 176.20 1ibl s LYS 122 N -4.73 2.39 0.30 4.56 1.02 -1.26 -4.60 119.74 117.42 1ibl s LYS 122 Ca 0.65 1.50 0.05 0.00 0.02 0.00 0.00 55.97 58.19 1ibl s LYS 122 Cb -0.21 -1.89 0.78 0.00 -0.52 0.00 0.00 37.83 35.99 1ibl s LYS 122 CO 0.59 -1.59 1.69 -0.22 -0.92 0.00 0.00 175.35 174.90 1ibl h LYS 123 N -0.35 0.39 -1.01 1.68 3.64 -1.95 1.23 116.57 120.20 1ibl h LYS 123 Ca -0.46 -0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.17 1ibl h LYS 123 Cb 1.26 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1ibl h LYS 123 CO 0.51 0.26 0.71 -0.22 -2.27 0.00 0.00 179.45 178.44 1ibl h LYS 124 N 0.41 0.11 -0.01 1.90 3.64 -2.03 -1.69 116.57 118.90 1ibl h LYS 124 Ca 0.59 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1ibl h LYS 124 Cb 1.14 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1ibl h LYS 124 CO -0.54 0.07 -0.21 1.19 -2.27 0.00 0.00 179.45 177.69 1ibl n PHE 125 N -4.33 0.00 -0.63 1.91 3.01 0.41 -5.01 117.46 112.81 1ibl n PHE 125 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1ibl n PHE 125 Cb 1.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 1ibl n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ibl n ARG 126 N -0.10 0.68 -0.77 -1.08 1.74 -0.09 -4.47 116.66 112.58 1ibl n ARG 126 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ibl n ARG 126 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 1ibl n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ibl n LYS 127 N -0.45 0.00 -4.31 5.56 4.76 -1.26 -5.01 118.16 117.45 1ibl n LYS 127 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1ibl n LYS 127 Cb 0.00 -2.29 -0.10 0.00 -1.84 0.00 0.00 35.03 30.80 1ibl n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ibl s ALA 128 N -3.74 3.27 0.00 7.82 0.00 -1.26 -5.28 121.76 122.57 1ibl s ALA 128 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ibl s ALA 128 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1ibl s ALA 128 CO 0.00 0.46 0.00 0.45 0.00 0.00 0.00 175.76 176.67