#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ict n PRO 11 N 0.00 1.21 -3.23 0.00 -0.04 -1.26 -4.68 135.00 126.99 1ict n PRO 11 Ca 0.00 -0.31 -0.02 0.00 -0.04 0.00 0.00 63.50 63.13 1ict n PRO 11 Cb 0.00 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1ict n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ict s LEU 12 N -1.86 -1.13 -0.08 1.53 2.96 -1.23 -0.00 118.68 118.87 1ict s LEU 12 Ca 0.40 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1ict s LEU 12 Cb 0.19 1.62 0.03 0.00 0.50 0.00 0.00 46.19 48.53 1ict s LEU 12 CO 0.32 -0.31 -0.03 0.00 -1.32 0.00 0.00 176.35 175.01 1ict s MET 13 N 2.70 0.88 -0.08 1.98 0.23 -0.40 -4.54 119.30 120.07 1ict s MET 13 Ca 0.13 -0.02 -0.19 0.00 -1.03 0.00 0.00 55.69 54.59 1ict s MET 13 Cb -0.13 -1.10 -0.05 0.00 -1.53 0.00 0.00 34.83 32.03 1ict s MET 13 CO -0.24 -0.25 0.51 0.08 -2.03 0.00 0.00 175.02 173.09 1ict s VAL 14 N 1.71 5.11 -0.11 5.16 1.01 -1.11 -2.09 120.40 130.07 1ict s VAL 14 Ca 0.02 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1ict s VAL 14 Cb -0.13 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1ict s VAL 14 CO -0.05 0.36 -0.22 -0.75 0.00 0.00 0.00 175.10 174.44 1ict s LYS 15 N 0.31 2.95 -0.06 2.72 2.20 -0.07 -0.79 119.74 126.99 1ict s LYS 15 Ca 0.27 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1ict s LYS 15 Cb -0.16 -2.30 0.02 0.00 -1.51 0.00 0.00 37.83 33.88 1ict s LYS 15 CO 0.12 0.09 -0.09 0.08 -0.36 0.00 0.00 175.35 175.19 1ict s VAL 16 N 0.57 0.91 -0.05 4.02 1.01 -0.72 0.28 120.40 126.43 1ict s VAL 16 Ca -0.13 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1ict s VAL 16 Cb -0.17 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1ict s VAL 16 CO 0.04 0.31 -0.18 -0.76 0.00 0.00 0.00 175.10 174.51 1ict s LEU 17 N 0.86 1.92 -0.21 3.92 1.43 -0.19 -1.41 118.68 125.00 1ict s LEU 17 Ca -0.11 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1ict s LEU 17 Cb -0.15 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1ict s LEU 17 CO 0.01 0.16 1.05 -0.62 0.23 0.00 0.00 176.35 177.18 1ict s ASP 18 N 0.05 7.11 0.00 2.29 -1.08 0.67 -0.24 116.67 125.47 1ict s ASP 18 Ca -0.04 1.42 0.19 0.00 -0.52 0.00 0.00 52.55 53.60 1ict s ASP 18 Cb -0.12 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.33 1ict s ASP 18 CO 0.02 -0.64 1.43 0.00 0.52 0.00 0.00 175.17 176.50 1ict n ALA 19 N 6.15 2.44 -0.12 3.66 0.00 -0.11 -2.04 120.51 130.50 1ict n ALA 19 Ca 0.12 -0.84 -0.26 0.00 0.00 0.00 0.00 53.44 52.46 1ict n ALA 19 Cb 0.46 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 1ict n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ict n VAL 20 N 0.98 1.54 1.05 0.00 0.31 -1.26 -4.43 118.33 116.52 1ict n VAL 20 Ca 0.18 -0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.28 1ict n VAL 20 Cb 0.46 -1.84 0.21 0.00 -0.91 0.00 0.00 33.84 31.76 1ict n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ict n ARG 21 N -4.09 0.21 -3.31 5.55 1.74 -1.26 -4.98 116.66 110.51 1ict n ARG 21 Ca -0.47 -0.13 -0.17 0.00 -0.77 0.00 0.00 57.85 56.31 1ict n ARG 21 Cb 0.87 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.88 1ict n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ict n GLY 22 N 1.47 -0.28 3.44 -0.13 0.00 -0.86 -5.03 105.19 103.79 1ict n GLY 22 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1ict n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ict s SER 23 N -3.78 0.00 0.34 1.61 1.04 -1.00 -5.01 113.70 106.90 1ict s SER 23 Ca 0.21 -1.11 -0.28 0.00 0.48 0.00 0.00 55.95 55.26 1ict s SER 23 Cb -0.09 0.50 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 1ict s SER 23 CO 0.62 -1.02 1.25 -2.16 0.98 0.00 0.00 173.24 172.91 1ict s PRO 24 N -4.07 4.32 -0.37 4.02 0.04 -1.26 -0.24 135.00 137.43 1ict s PRO 24 Ca 0.29 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1ict s PRO 24 Cb 0.02 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.58 1ict s PRO 24 CO 0.10 -0.17 1.20 0.00 0.04 0.00 0.00 177.00 178.17 1ict s ALA 25 N -1.20 3.31 0.39 8.56 0.00 -0.50 -4.62 121.76 127.70 1ict s ALA 25 Ca 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 1ict s ALA 25 Cb -0.37 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 1ict s ALA 25 CO 0.48 -1.89 0.61 0.42 0.00 0.00 0.00 175.76 175.38 1ict s ILE 26 N 4.30 4.86 -0.74 0.00 1.01 -1.26 -4.22 121.20 125.15 1ict s ILE 26 Ca 0.51 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.75 1ict s ILE 26 Cb -0.12 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1ict s ILE 26 CO 0.24 -0.57 0.19 0.59 0.00 0.00 0.00 174.94 175.39 1ict n ASN 27 N -1.93 -2.23 -4.70 3.58 3.02 -0.52 -4.89 115.26 107.59 1ict n ASN 27 Ca -0.03 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 1ict n ASN 27 Cb 0.56 -1.96 -0.04 0.00 -0.61 0.00 0.00 39.78 37.73 1ict n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ict s VAL 28 N -2.49 4.96 0.07 2.41 1.01 -1.26 -4.76 120.40 120.34 1ict s VAL 28 Ca 0.20 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.46 1ict s VAL 28 Cb -0.11 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1ict s VAL 28 CO 0.25 0.15 1.22 0.00 0.00 0.00 0.00 175.10 176.72 1ict s ALA 29 N 1.39 3.41 -0.08 5.51 0.00 -1.26 -0.79 121.76 129.94 1ict s ALA 29 Ca 0.39 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.26 1ict s ALA 29 Cb -0.18 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1ict s ALA 29 CO 0.17 -0.45 -0.17 0.08 0.00 0.00 0.00 175.76 175.39 1ict s VAL 30 N 1.06 1.49 -0.08 0.00 1.01 0.26 -1.14 120.40 122.99 1ict s VAL 30 Ca 0.59 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1ict s VAL 30 Cb -0.30 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 1ict s VAL 30 CO 0.29 0.43 -0.24 -1.00 0.00 0.00 0.00 175.10 174.59 1ict s HIS 31 N 0.58 2.48 -0.10 5.22 3.76 0.51 -1.45 115.29 126.29 1ict s HIS 31 Ca -0.15 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 53.87 1ict s HIS 31 Cb -0.16 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 1ict s HIS 31 CO 0.05 -0.33 -0.16 0.08 -0.85 0.00 0.00 174.74 173.52 1ict s VAL 32 N 0.15 2.81 -0.10 -0.90 1.01 -0.59 0.36 120.40 123.13 1ict s VAL 32 Ca -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1ict s VAL 32 Cb -0.16 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1ict s VAL 32 CO 0.07 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.27 1ict s PHE 33 N 0.02 1.49 -0.26 5.22 0.08 -0.23 -1.30 117.98 122.99 1ict s PHE 33 Ca -0.05 -0.69 -0.14 0.00 0.12 0.00 0.00 56.93 56.16 1ict s PHE 33 Cb -0.15 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1ict s PHE 33 CO 0.05 -0.44 0.35 0.50 -0.10 0.00 0.00 175.22 175.57 1ict s ARG 34 N 1.37 4.02 0.19 0.44 3.52 -0.55 -0.42 118.95 127.53 1ict s ARG 34 Ca -0.01 0.01 -0.33 0.00 -0.13 0.00 0.00 55.73 55.27 1ict s ARG 34 Cb -0.14 -3.64 -0.14 0.00 -1.56 0.00 0.00 34.95 29.47 1ict s ARG 34 CO -0.05 -0.24 1.50 1.17 -0.81 0.00 0.00 175.30 176.88 1ict n LYS 35 N 5.20 2.08 -2.44 5.12 4.81 -0.62 -2.65 118.16 129.65 1ict n LYS 35 Ca -0.09 0.74 -0.24 0.00 -0.87 0.00 0.00 58.31 57.86 1ict n LYS 35 Cb 0.51 -2.47 0.07 0.00 0.02 0.00 0.00 35.03 33.17 1ict n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ict s ALA 36 N 0.50 3.51 0.45 3.14 0.00 -0.39 -4.78 121.76 124.18 1ict s ALA 36 Ca 0.75 -1.29 0.25 0.00 0.00 0.00 0.00 51.96 51.67 1ict s ALA 36 Cb -0.67 -2.27 1.42 0.00 0.00 0.00 0.00 23.12 21.59 1ict s ALA 36 CO 0.43 -1.21 2.08 0.00 0.00 0.00 0.00 175.76 177.06 1ict h ALA 37 N -0.40 1.41 -0.32 0.00 0.00 -1.94 -1.68 119.26 116.33 1ict h ALA 37 Ca -0.42 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ict h ALA 37 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ict h ALA 37 CO 0.51 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1ict n ASP 38 N -3.81 3.16 -2.08 0.00 5.75 -1.26 -4.90 116.55 113.41 1ict n ASP 38 Ca -0.02 -2.38 -0.18 0.00 -0.01 0.00 0.00 54.79 52.20 1ict n ASP 38 Cb 0.21 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 39.77 1ict n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ict n ASP 39 N 0.39 -5.22 -4.46 -1.12 8.00 -0.63 -5.02 116.55 108.49 1ict n ASP 39 Ca 0.14 -0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.27 1ict n ASP 39 Cb 0.65 -4.28 -0.13 0.00 -0.02 0.00 0.00 41.12 37.35 1ict n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ict s THR 40 N -2.91 3.44 -0.12 -3.53 2.01 -1.26 -4.86 115.64 108.42 1ict s THR 40 Ca 0.02 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 1ict s THR 40 Cb -0.01 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 1ict s THR 40 CO 0.03 0.53 1.97 0.26 -0.69 0.00 0.00 174.62 176.72 1ict s TRP 41 N 0.07 1.44 -0.18 4.92 0.23 -1.26 -1.26 118.94 122.90 1ict s TRP 41 Ca -0.03 0.16 -0.00 0.00 -2.03 0.00 0.00 56.10 54.19 1ict s TRP 41 Cb -0.14 -4.06 0.00 0.00 0.03 0.00 0.00 33.47 29.30 1ict s TRP 41 CO 0.04 -4.38 -0.14 -2.00 0.96 0.00 0.00 176.95 171.43 1ict s GLU 42 N 5.22 3.20 -0.23 4.98 2.12 -1.08 -4.93 118.70 127.97 1ict s GLU 42 Ca 0.89 -0.74 -0.43 0.00 0.36 0.00 0.00 54.97 55.05 1ict s GLU 42 Cb -0.35 -2.70 -0.20 0.00 0.26 0.00 0.00 34.13 31.15 1ict s GLU 42 CO 0.36 -0.09 1.34 -2.30 -0.54 0.00 0.00 175.26 174.03 1ict n PRO 43 N 4.37 0.09 0.01 4.30 -0.02 -1.26 -1.48 135.00 141.00 1ict n PRO 43 Ca -0.19 0.03 -0.02 0.00 -2.02 0.00 0.00 63.50 61.30 1ict n PRO 43 Cb 0.51 -1.54 -0.01 0.00 -0.02 0.00 0.00 33.50 32.44 1ict n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ict n PHE 44 N 2.79 0.00 -4.29 6.00 7.35 -0.42 -4.76 117.46 124.13 1ict n PHE 44 Ca 0.25 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.78 1ict n PHE 44 Cb 0.02 -0.10 -0.10 0.00 0.35 0.00 0.00 39.48 39.65 1ict n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ict s ALA 45 N -2.25 1.62 -0.02 3.13 0.00 -0.84 -5.00 121.76 118.40 1ict s ALA 45 Ca -0.06 -1.83 -0.25 0.00 0.00 0.00 0.00 51.96 49.82 1ict s ALA 45 Cb 0.01 1.09 0.05 0.00 0.00 0.00 0.00 23.12 24.27 1ict s ALA 45 CO 0.09 -0.48 0.54 0.45 0.00 0.00 0.00 175.76 176.37 1ict s SER 46 N -3.28 -0.48 0.00 0.00 0.15 -1.26 -1.55 113.70 107.28 1ict s SER 46 Ca 0.38 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1ict s SER 46 Cb 0.08 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1ict s SER 46 CO 0.13 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1ict n GLY 47 N 0.92 1.26 3.31 9.45 0.00 -0.53 -5.01 105.19 114.59 1ict n GLY 47 Ca -0.20 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1ict n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ict s LYS 48 N -2.00 1.91 0.30 1.61 1.02 -1.26 0.91 119.74 122.23 1ict s LYS 48 Ca 0.00 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 1ict s LYS 48 Cb 0.00 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 35.27 1ict s LYS 48 CO 0.00 0.52 1.51 0.95 -0.92 0.00 0.00 175.35 177.41 1ict s THR 49 N -0.67 2.30 0.00 2.17 -4.23 0.03 -4.85 115.64 110.39 1ict s THR 49 Ca 0.10 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1ict s THR 49 Cb -0.10 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1ict s THR 49 CO 0.00 0.05 0.00 -1.54 -0.54 0.00 0.00 174.62 172.59 1ict n SER 50 N 1.84 -0.21 0.13 3.99 3.41 -1.08 -1.44 113.62 120.26 1ict n SER 50 Ca 0.06 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1ict n SER 50 Cb 0.39 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.70 1ict n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1ict h GLU 51 N 0.00 0.00 -0.01 4.33 9.09 -1.92 -3.12 114.58 122.95 1ict h GLU 51 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ict h GLU 51 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ict h GLU 51 CO 0.00 0.00 -0.30 -1.13 0.05 0.00 0.00 179.01 177.63 1ict n SER 52 N -2.46 1.51 0.00 3.06 3.41 -1.26 -4.83 113.62 113.04 1ict n SER 52 Ca 0.05 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1ict n SER 52 Cb 0.44 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1ict n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ict n GLY 53 N 1.36 2.07 3.79 5.00 0.00 -1.18 -4.74 105.19 111.48 1ict n GLY 53 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1ict n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ict s GLU 54 N -0.48 4.14 -0.28 1.61 2.02 -1.26 -1.75 118.70 122.70 1ict s GLU 54 Ca 0.00 0.52 -0.01 0.00 0.02 0.00 0.00 54.97 55.50 1ict s GLU 54 Cb 0.00 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.97 1ict s GLU 54 CO 0.00 0.49 -0.03 -1.17 0.02 0.00 0.00 175.26 174.57 1ict s LEU 55 N -0.50 3.61 0.27 1.80 2.96 0.03 -2.62 118.68 124.23 1ict s LEU 55 Ca 0.26 -1.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.09 1ict s LEU 55 Cb -0.17 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 1ict s LEU 55 CO 0.14 -0.21 -0.09 -1.38 -1.32 0.00 0.00 176.35 173.49 1ict s HIS 56 N 1.26 1.97 0.00 5.38 -3.43 -1.26 -2.76 115.29 116.45 1ict s HIS 56 Ca -0.04 -0.62 0.00 0.00 -0.80 0.00 0.00 55.06 53.60 1ict s HIS 56 Cb -0.19 -1.06 0.00 0.00 -1.43 0.00 0.00 32.58 29.90 1ict s HIS 56 CO -0.03 0.36 0.00 0.41 -2.00 0.00 0.00 174.74 173.49 1ict n GLY 57 N -0.56 0.67 0.12 -1.38 0.00 -1.26 -5.02 105.19 97.76 1ict n GLY 57 Ca -0.06 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 1ict n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ict n LEU 58 N -1.23 2.06 0.00 0.99 4.77 -1.26 -5.04 117.00 117.29 1ict n LEU 58 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1ict n LEU 58 Cb 0.50 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1ict n LEU 58 CO 0.00 0.51 0.00 0.35 -1.33 0.00 0.00 177.39 176.92 1ict n THR 59 N -4.18 0.00 -4.25 -5.08 -2.24 -1.26 -4.83 114.28 92.45 1ict n THR 59 Ca -0.43 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 1ict n THR 59 Cb 0.83 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1ict n THR 59 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ict s THR 60 N -2.26 0.98 0.46 4.28 -4.23 -1.26 -4.77 115.64 108.84 1ict s THR 60 Ca 0.00 -2.02 0.14 0.00 -1.18 0.00 0.00 61.69 58.63 1ict s THR 60 Cb 0.00 -1.94 0.21 0.00 1.34 0.00 0.00 72.50 72.12 1ict s THR 60 CO 0.00 -0.66 2.04 -0.08 -0.54 0.00 0.00 174.62 175.37 1ict h GLU 61 N 2.75 0.06 -0.49 3.99 4.57 -1.99 -1.39 114.58 122.08 1ict h GLU 61 Ca -0.37 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1ict h GLU 61 Cb 1.19 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1ict h GLU 61 CO 0.64 0.16 0.29 0.93 -1.18 0.00 0.00 179.01 179.85 1ict h GLU 62 N 0.06 0.67 -0.76 1.92 3.07 -2.04 -2.78 114.58 114.73 1ict h GLU 62 Ca 0.01 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.36 58.52 1ict h GLU 62 Cb 0.20 -0.14 -0.18 0.00 -0.84 0.00 0.00 28.75 27.80 1ict h GLU 62 CO 0.01 0.49 0.34 -0.85 -1.40 0.00 0.00 179.01 177.60 1ict n GLU 63 N -4.70 3.05 -2.16 2.33 0.28 -0.91 -4.40 120.64 114.14 1ict n GLU 63 Ca 0.02 -3.07 -0.28 0.00 -0.16 0.00 0.00 57.16 53.67 1ict n GLU 63 Cb 0.06 -2.15 0.02 0.00 1.43 0.00 0.00 31.44 30.80 1ict n GLU 63 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ict n PHE 64 N -0.58 3.11 -0.76 -1.84 7.35 -0.57 -4.76 117.46 119.42 1ict n PHE 64 Ca 0.45 -2.70 -0.32 0.00 -0.76 0.00 0.00 57.45 54.11 1ict n PHE 64 Cb 1.42 -0.41 0.14 0.00 0.35 0.00 0.00 39.48 40.98 1ict n PHE 64 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1ict n VAL 65 N -0.61 0.00 -1.55 -2.13 0.24 -1.26 -4.76 118.33 108.26 1ict n VAL 65 Ca 0.44 -0.17 -0.22 0.00 -2.04 0.00 0.00 64.34 62.35 1ict n VAL 65 Cb 0.73 -0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 32.34 1ict n VAL 65 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ict n GLU 66 N -2.27 0.70 0.00 7.34 2.13 -1.26 -4.78 120.64 122.50 1ict n GLU 66 Ca 0.07 -0.52 0.00 0.00 0.66 0.00 0.00 57.16 57.37 1ict n GLU 66 Cb 0.54 -3.50 0.00 0.00 0.27 0.00 0.00 31.44 28.75 1ict n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ict n GLY 67 N 6.49 4.39 2.98 8.31 0.00 -1.17 -4.99 105.19 121.20 1ict n GLY 67 Ca 0.44 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1ict n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ict s ILE 68 N -1.05 1.56 0.21 -0.61 1.01 -1.26 -1.50 121.20 119.56 1ict s ILE 68 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1ict s ILE 68 Cb 0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1ict s ILE 68 CO 0.00 0.17 0.19 -0.31 0.00 0.00 0.00 174.94 174.98 1ict s TYR 69 N 1.43 3.16 -0.27 3.97 1.51 0.22 -1.60 117.35 125.79 1ict s TYR 69 Ca -0.01 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1ict s TYR 69 Cb -0.16 -1.47 0.08 0.00 -0.11 0.00 0.00 41.96 40.30 1ict s TYR 69 CO -0.08 0.52 0.04 0.21 -1.11 0.00 0.00 175.55 175.12 1ict s LYS 70 N -3.53 1.04 -0.44 -0.62 2.20 0.44 -1.93 119.74 116.90 1ict s LYS 70 Ca 0.32 -1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 54.73 1ict s LYS 70 Cb -0.09 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.94 1ict s LYS 70 CO 0.25 -0.80 0.63 0.08 -0.36 0.00 0.00 175.35 175.15 1ict s VAL 71 N 1.53 4.84 -0.24 4.02 1.01 -0.52 -1.07 120.40 129.96 1ict s VAL 71 Ca 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1ict s VAL 71 Cb -0.18 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1ict s VAL 71 CO -0.14 -0.59 0.08 -0.70 0.00 0.00 0.00 175.10 173.74 1ict s GLU 72 N 2.79 3.71 -0.24 2.72 2.12 0.16 -1.88 118.70 128.08 1ict s GLU 72 Ca 0.22 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 55.02 1ict s GLU 72 Cb -0.14 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1ict s GLU 72 CO 0.19 -0.14 0.09 0.42 -0.54 0.00 0.00 175.26 175.28 1ict s ILE 73 N 1.49 4.53 -1.33 -3.70 1.01 -0.34 -0.36 121.20 122.51 1ict s ILE 73 Ca 0.06 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 1ict s ILE 73 Cb -0.15 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.29 1ict s ILE 73 CO 0.04 0.34 1.83 -0.67 0.00 0.00 0.00 174.94 176.49 1ict n ASP 74 N 4.72 4.72 0.10 3.58 2.03 -0.29 -2.04 116.55 129.37 1ict n ASP 74 Ca -0.16 -2.92 -0.03 0.00 0.52 0.00 0.00 54.79 52.21 1ict n ASP 74 Cb 0.52 -1.69 0.19 0.00 -0.72 0.00 0.00 41.12 39.42 1ict n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1ict h THR 75 N 4.95 1.35 -0.68 5.18 1.35 -1.86 -3.28 112.91 119.92 1ict h THR 75 Ca 0.46 -1.72 0.04 0.00 -0.55 0.00 0.00 66.41 64.64 1ict h THR 75 Cb 0.80 1.84 -0.05 0.00 -1.73 0.00 0.00 68.15 69.01 1ict h THR 75 CO 1.55 0.51 0.41 0.50 -0.25 0.00 0.00 175.52 178.24 1ict h LYS 76 N 0.16 0.76 0.00 4.72 3.64 -1.75 -2.64 116.57 121.46 1ict h LYS 76 Ca 0.01 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1ict h LYS 76 Cb 0.93 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1ict h LYS 76 CO 0.07 0.50 -0.58 0.77 -2.27 0.00 0.00 179.45 177.95 1ict h SER 77 N 0.78 0.00 -0.09 4.20 0.02 -1.88 -1.95 113.55 114.64 1ict h SER 77 Ca 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1ict h SER 77 Cb 0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1ict h SER 77 CO -0.13 0.58 0.02 0.22 -1.14 0.00 0.00 176.83 176.38 1ict h TYR 78 N 0.00 0.15 -0.23 3.45 3.20 -1.55 -2.45 116.97 119.54 1ict h TYR 78 Ca -0.01 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 1ict h TYR 78 Cb 1.20 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1ict h TYR 78 CO 0.00 0.31 -0.18 -1.49 -1.64 0.00 0.00 178.16 175.16 1ict h TRP 79 N -0.05 0.62 -0.58 -3.82 -0.00 -1.48 -3.17 115.95 107.46 1ict h TRP 79 Ca 0.03 -0.17 0.05 0.00 -0.00 0.00 0.00 58.89 58.79 1ict h TRP 79 Cb 0.23 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.16 29.22 1ict h TRP 79 CO 0.00 0.84 0.39 0.87 -0.00 0.00 0.00 178.44 180.54 1ict h LYS 80 N 0.23 0.59 -0.51 0.49 1.57 -1.25 -1.26 116.57 116.42 1ict h LYS 80 Ca 0.04 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1ict h LYS 80 Cb 0.71 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1ict h LYS 80 CO 0.05 0.39 0.17 0.00 -0.57 0.00 0.00 179.45 179.48 1ict h ALA 81 N 1.68 1.34 0.00 3.86 0.00 -1.41 -1.58 119.26 123.14 1ict h ALA 81 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ict h ALA 81 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ict h ALA 81 CO -0.07 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.60 1ict h LEU 82 N 0.74 0.00 0.00 0.00 3.38 -1.25 -3.46 115.31 114.72 1ict h LEU 82 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ict h LEU 82 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ict h LEU 82 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1ict n GLY 83 N 0.42 0.70 3.93 0.83 0.00 -0.59 -5.10 105.19 105.38 1ict n GLY 83 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1ict n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ict s ILE 84 N -2.00 5.16 -0.32 -0.61 1.01 -0.98 -4.99 121.20 118.47 1ict s ILE 84 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1ict s ILE 84 Cb 0.00 -3.79 0.09 0.00 0.01 0.00 0.00 42.46 38.77 1ict s ILE 84 CO 0.00 -0.33 0.01 -0.55 0.00 0.00 0.00 174.94 174.08 1ict s SER 85 N -3.53 4.69 0.69 3.58 0.15 -1.26 -3.01 113.70 115.01 1ict s SER 85 Ca 0.39 -1.97 -0.11 0.00 0.70 0.00 0.00 55.95 54.96 1ict s SER 85 Cb -0.10 -1.61 0.01 0.00 -1.71 0.00 0.00 66.02 62.61 1ict s SER 85 CO 0.31 -0.33 1.06 -2.16 1.20 0.00 0.00 173.24 173.32 1ict s PRO 86 N 0.95 2.95 -0.10 5.44 0.04 -1.26 -4.98 135.00 138.04 1ict s PRO 86 Ca 0.06 0.85 -0.21 0.00 0.04 0.00 0.00 61.00 61.74 1ict s PRO 86 Cb -0.19 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.17 1ict s PRO 86 CO -0.07 -1.06 0.70 0.35 0.04 0.00 0.00 177.00 176.95 1ict h PHE 87 N -0.69 -0.05 -3.86 0.56 3.57 -1.75 -3.46 116.94 111.26 1ict h PHE 87 Ca -0.44 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.57 1ict h PHE 87 Cb 1.22 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1ict h PHE 87 CO 0.60 0.58 0.41 -1.01 -2.23 0.00 0.00 178.31 176.66 1ict s HIS 88 N -2.58 3.59 0.22 0.41 3.76 -1.26 -4.94 115.29 114.49 1ict s HIS 88 Ca -0.14 1.74 0.02 0.00 -0.15 0.00 0.00 55.06 56.54 1ict s HIS 88 Cb -0.01 -3.11 0.21 0.00 1.11 0.00 0.00 32.58 30.78 1ict s HIS 88 CO 0.51 -0.23 1.54 1.49 -0.85 0.00 0.00 174.74 177.20 1ict h GLU 89 N 3.37 0.33 -1.34 1.40 4.57 -1.99 -3.38 114.58 117.53 1ict h GLU 89 Ca -0.47 -0.22 0.34 0.00 -1.18 0.00 0.00 59.36 57.83 1ict h GLU 89 Cb 1.21 0.03 -0.13 0.00 -0.16 0.00 0.00 28.75 29.70 1ict h GLU 89 CO 0.65 0.82 0.87 -3.38 -1.18 0.00 0.00 179.01 176.79 1ict s HIS 90 N -3.83 -0.03 -0.12 0.92 -3.43 -1.26 -3.80 115.29 103.74 1ict s HIS 90 Ca -0.05 -0.05 -0.01 0.00 -0.80 0.00 0.00 55.06 54.15 1ict s HIS 90 Cb 0.12 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.78 1ict s HIS 90 CO 0.81 -0.21 -0.07 0.00 -2.00 0.00 0.00 174.74 173.27 1ict s ALA 91 N -2.33 2.90 -0.06 -1.38 0.00 -0.86 -4.94 121.76 115.08 1ict s ALA 91 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1ict s ALA 91 Cb 0.06 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1ict s ALA 91 CO -0.05 0.34 -0.03 -2.00 0.00 0.00 0.00 175.76 174.02 1ict s GLU 92 N -0.02 0.85 -0.19 0.00 2.12 -1.26 -1.20 118.70 119.01 1ict s GLU 92 Ca -0.01 -0.06 -0.03 0.00 0.36 0.00 0.00 54.97 55.24 1ict s GLU 92 Cb -0.14 -0.97 -0.01 0.00 0.26 0.00 0.00 34.13 33.27 1ict s GLU 92 CO 0.03 -0.17 -0.06 0.08 -0.54 0.00 0.00 175.26 174.60 1ict s VAL 93 N 1.34 3.38 -0.13 3.70 1.01 -0.79 -5.02 120.40 123.89 1ict s VAL 93 Ca -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1ict s VAL 93 Cb -0.13 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1ict s VAL 93 CO -0.02 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.68 1ict s VAL 94 N 1.00 1.71 0.13 2.92 1.01 -1.26 -1.45 120.40 124.46 1ict s VAL 94 Ca -0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1ict s VAL 94 Cb -0.15 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1ict s VAL 94 CO 0.00 0.48 0.33 0.72 0.00 0.00 0.00 175.10 176.63 1ict s PHE 95 N 1.13 0.06 -0.46 5.22 -0.71 -0.81 -5.01 117.98 117.39 1ict s PHE 95 Ca -0.02 -0.43 -0.19 0.00 -1.04 0.00 0.00 56.93 55.26 1ict s PHE 95 Cb -0.14 0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1ict s PHE 95 CO -0.06 -0.69 0.55 0.99 -1.34 0.00 0.00 175.22 174.67 1ict s THR 96 N -3.87 4.96 0.28 -4.49 2.01 -1.26 -0.61 115.64 112.67 1ict s THR 96 Ca 0.08 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1ict s THR 96 Cb 0.03 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1ict s THR 96 CO -0.07 -0.61 0.50 0.00 -0.69 0.00 0.00 174.62 173.74 1ict s ALA 97 N 2.44 3.71 -0.97 7.40 0.00 -0.56 -4.54 121.76 129.24 1ict s ALA 97 Ca 0.15 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.27 1ict s ALA 97 Cb -0.18 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.87 1ict s ALA 97 CO 0.14 0.21 0.28 0.09 0.00 0.00 0.00 175.76 176.48 1ict n ASN 98 N -1.16 -2.75 -1.56 0.00 3.02 -1.26 -3.04 115.26 108.51 1ict n ASN 98 Ca -0.04 -0.16 -0.05 0.00 -0.03 0.00 0.00 54.58 54.30 1ict n ASN 98 Cb 0.55 -2.35 0.02 0.00 -0.61 0.00 0.00 39.78 37.38 1ict n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ict n ASP 99 N -2.01 5.27 0.00 6.41 3.85 -1.26 -3.87 116.55 124.94 1ict n ASP 99 Ca -0.02 -2.57 0.00 0.00 -0.71 0.00 0.00 54.79 51.49 1ict n ASP 99 Cb 0.53 -1.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.29 1ict n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1ict n SER 100 N 0.94 0.00 -3.68 -1.12 3.41 -1.26 -5.16 113.62 106.75 1ict n SER 100 Ca 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.73 1ict n SER 100 Cb 0.56 0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.86 1ict n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ict s GLY 101 N -1.89 -0.21 -0.87 5.00 0.00 -1.25 -5.08 107.32 103.01 1ict s GLY 101 Ca 0.00 0.25 -0.24 0.00 0.00 0.00 0.00 44.72 44.74 1ict s GLY 101 CO 0.00 2.80 2.21 -1.05 0.00 0.00 0.00 173.10 177.06 1ict n PRO 102 N -0.70 0.31 -3.95 2.90 -0.02 -1.26 -4.65 135.00 127.63 1ict n PRO 102 Ca -0.02 -1.05 -0.33 0.00 -2.02 0.00 0.00 63.50 60.07 1ict n PRO 102 Cb 0.60 -3.44 -0.05 0.00 -0.02 0.00 0.00 33.50 30.59 1ict n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ict s ARG 103 N 8.44 3.34 -0.21 -0.52 1.81 -1.26 -4.69 118.95 125.86 1ict s ARG 103 Ca 0.87 -0.37 -0.12 0.00 -1.72 0.00 0.00 55.73 54.38 1ict s ARG 103 Cb -0.15 -3.03 -0.05 0.00 -0.45 0.00 0.00 34.95 31.27 1ict s ARG 103 CO 0.15 0.66 0.23 1.03 -0.68 0.00 0.00 175.30 176.70 1ict s ARG 104 N -1.93 4.16 -0.21 3.54 0.52 0.11 -4.84 118.95 120.28 1ict s ARG 104 Ca 0.27 -0.09 -0.04 0.00 -0.52 0.00 0.00 55.73 55.35 1ict s ARG 104 Cb -0.12 -3.49 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 1ict s ARG 104 CO 0.18 0.13 -0.04 0.71 0.02 0.00 0.00 175.30 176.30 1ict s TYR 105 N 0.83 2.96 -0.21 -0.53 2.02 1.00 -1.80 117.35 121.63 1ict s TYR 105 Ca 0.12 -0.86 -0.01 0.00 -0.37 0.00 0.00 57.07 55.95 1ict s TYR 105 Cb -0.13 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 1ict s TYR 105 CO 0.04 -0.50 -0.13 0.99 -1.57 0.00 0.00 175.55 174.38 1ict s THR 106 N 1.38 2.59 -0.25 -0.71 2.01 -0.76 -1.27 115.64 118.63 1ict s THR 106 Ca 0.05 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1ict s THR 106 Cb -0.14 -2.17 0.03 0.00 0.01 0.00 0.00 72.50 70.22 1ict s THR 106 CO -0.02 0.43 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.64 1ict s ILE 107 N 1.34 2.74 0.17 1.82 1.01 -0.89 -0.22 121.20 127.18 1ict s ILE 107 Ca 0.04 -1.13 0.10 0.00 0.00 0.00 0.00 60.65 59.66 1ict s ILE 107 Cb -0.14 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1ict s ILE 107 CO -0.08 0.16 -0.19 0.00 0.00 0.00 0.00 174.94 174.83 1ict s ALA 108 N 1.29 2.66 -0.01 9.38 0.00 -0.75 -0.89 121.76 133.44 1ict s ALA 108 Ca -0.01 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 1ict s ALA 108 Cb -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1ict s ALA 108 CO -0.05 0.48 0.02 0.00 0.00 0.00 0.00 175.76 176.22 1ict s ALA 109 N -1.51 -0.04 -0.22 0.00 0.00 0.14 -1.22 121.76 118.91 1ict s ALA 109 Ca 0.21 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 1ict s ALA 109 Cb -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1ict s ALA 109 CO 0.11 -0.02 0.07 -1.17 0.00 0.00 0.00 175.76 174.75 1ict s LEU 110 N 0.08 3.61 -0.14 0.00 2.96 -0.77 -1.02 118.68 123.41 1ict s LEU 110 Ca -0.01 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1ict s LEU 110 Cb -0.01 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1ict s LEU 110 CO -0.00 0.05 0.05 -0.76 -1.32 0.00 0.00 176.35 174.37 1ict s LEU 111 N 1.09 3.80 0.03 -0.68 1.43 0.67 -2.88 118.68 122.14 1ict s LEU 111 Ca 0.04 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1ict s LEU 111 Cb -0.14 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1ict s LEU 111 CO 0.03 0.28 -0.04 -0.44 0.23 0.00 0.00 176.35 176.41 1ict s SER 112 N -0.29 0.39 0.17 2.29 0.01 0.01 -0.94 113.70 115.35 1ict s SER 112 Ca 0.08 -0.51 -0.22 0.00 1.31 0.00 0.00 55.95 56.61 1ict s SER 112 Cb -0.12 0.08 0.08 0.00 0.21 0.00 0.00 66.02 66.27 1ict s SER 112 CO 0.02 -0.27 1.60 -0.65 0.41 0.00 0.00 173.24 174.34 1ict h PRO 113 N 4.62 -0.21 -0.55 12.44 0.11 -1.98 -2.88 132.00 143.54 1ict h PRO 113 Ca -0.33 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ict h PRO 113 Cb 1.21 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ict h PRO 113 CO 0.41 -0.14 0.00 0.66 -0.21 0.00 0.00 178.00 178.72 1ict n TYR 114 N -5.42 0.83 -3.69 0.65 4.02 -1.26 -1.94 117.16 110.36 1ict n TYR 114 Ca 0.02 -0.53 -0.12 0.00 -0.01 0.00 0.00 57.90 57.26 1ict n TYR 114 Cb 0.33 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.54 1ict n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ict s SER 115 N -1.03 -0.22 -0.12 7.72 0.15 -1.09 -4.95 113.70 114.16 1ict s SER 115 Ca 0.39 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.63 1ict s SER 115 Cb 0.21 0.41 0.11 0.00 -1.71 0.00 0.00 66.02 65.05 1ict s SER 115 CO 0.24 -0.67 0.93 -0.72 1.20 0.00 0.00 173.24 174.22 1ict s TYR 116 N -2.66 -0.42 -0.02 3.44 -0.85 -1.26 -0.81 117.35 114.77 1ict s TYR 116 Ca -0.04 0.67 -0.03 0.00 -0.52 0.00 0.00 57.07 57.15 1ict s TYR 116 Cb -0.00 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.79 1ict s TYR 116 CO -0.04 -0.41 0.06 -1.54 -1.52 0.00 0.00 175.55 172.10 1ict s SER 117 N -1.29 -0.02 -0.06 -0.18 1.04 -1.14 -5.02 113.70 107.04 1ict s SER 117 Ca -0.03 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.46 1ict s SER 117 Cb -0.00 0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 1ict s SER 117 CO 0.02 -0.11 -0.22 0.28 0.98 0.00 0.00 173.24 174.20 1ict s THR 118 N -0.35 1.80 0.26 2.02 -1.32 -1.26 -1.84 115.64 114.95 1ict s THR 118 Ca -0.04 -0.91 0.11 0.00 -1.21 0.00 0.00 61.69 59.64 1ict s THR 118 Cb -0.03 -1.54 -0.05 0.00 -1.51 0.00 0.00 72.50 69.37 1ict s THR 118 CO 0.00 0.51 -0.15 0.28 -2.21 0.00 0.00 174.62 173.04 1ict s THR 119 N 0.04 2.73 -0.08 5.08 -1.32 -0.35 -5.01 115.64 116.72 1ict s THR 119 Ca -0.07 -2.20 0.01 0.00 -1.21 0.00 0.00 61.69 58.22 1ict s THR 119 Cb -0.14 -2.42 0.02 0.00 -1.51 0.00 0.00 72.50 68.45 1ict s THR 119 CO 0.04 -0.34 -0.11 0.00 -2.21 0.00 0.00 174.62 172.00 1ict s ALA 120 N -2.31 1.27 -0.31 11.08 0.00 -1.26 -1.81 121.76 128.42 1ict s ALA 120 Ca 0.29 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 1ict s ALA 120 Cb -0.06 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1ict s ALA 120 CO 0.16 -0.04 0.08 0.08 0.00 0.00 0.00 175.76 176.03 1ict s VAL 121 N 0.97 3.85 -0.35 0.00 1.01 0.69 -5.00 120.40 121.58 1ict s VAL 121 Ca -0.09 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1ict s VAL 121 Cb -0.15 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.22 1ict s VAL 121 CO 0.00 0.00 0.13 -0.69 0.00 0.00 0.00 175.10 174.54 1ict s VAL 122 N 1.46 3.92 0.03 2.92 1.01 -1.26 -1.82 120.40 126.66 1ict s VAL 122 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1ict s VAL 122 Cb -0.18 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ict s VAL 122 CO 0.02 -0.20 0.01 0.35 0.00 0.00 0.00 175.10 175.28 1ict n THR 123 N 4.84 0.00 -3.64 3.92 -2.24 -0.74 -4.97 114.28 111.46 1ict n THR 123 Ca -0.12 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1ict n THR 123 Cb 0.45 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1ict n THR 123 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ict s ASN 124 N -1.17 -0.65 0.00 3.42 6.03 -1.26 0.05 114.94 121.36 1ict s ASN 124 Ca 0.01 1.15 0.32 0.00 -1.03 0.00 0.00 52.86 53.30 1ict s ASN 124 Cb 0.00 1.21 1.84 0.00 -3.03 0.00 0.00 41.25 41.27 1ict s ASN 124 CO 0.01 -0.19 2.19 -0.81 -2.03 0.00 0.00 177.10 176.27