#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ict h PRO 11 N 0.00 0.19 -4.97 0.00 0.13 -1.92 -3.42 132.00 122.02 1ict h PRO 11 Ca 0.00 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.45 1ict h PRO 11 Cb 0.00 -0.04 -0.32 0.00 0.13 0.00 0.00 31.00 30.77 1ict h PRO 11 CO 0.00 0.12 -0.77 -1.17 -0.23 0.00 0.00 178.00 175.95 1ict s LEU 12 N -9.04 2.85 -0.04 1.56 2.96 -1.26 -0.45 118.68 115.26 1ict s LEU 12 Ca -0.06 -0.71 0.03 0.00 -0.22 0.00 0.00 54.13 53.17 1ict s LEU 12 Cb 0.20 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.26 1ict s LEU 12 CO 0.74 -0.07 -0.11 -0.04 -1.32 0.00 0.00 176.35 175.55 1ict s MET 13 N 1.35 1.30 -0.21 1.98 -1.94 -0.95 -4.48 119.30 116.35 1ict s MET 13 Ca 0.03 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 1ict s MET 13 Cb -0.15 -1.16 0.03 0.00 2.01 0.00 0.00 34.83 35.56 1ict s MET 13 CO -0.06 0.12 -0.16 0.08 -0.01 0.00 0.00 175.02 174.99 1ict s VAL 14 N 0.29 2.24 -0.03 -6.03 1.01 -0.85 -1.04 120.40 115.99 1ict s VAL 14 Ca -0.06 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1ict s VAL 14 Cb -0.11 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1ict s VAL 14 CO 0.02 0.38 -0.06 -0.75 0.00 0.00 0.00 175.10 174.69 1ict s LYS 15 N 1.27 2.68 -0.04 2.72 2.20 -0.84 -0.16 119.74 127.56 1ict s LYS 15 Ca 0.02 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1ict s LYS 15 Cb -0.15 -2.57 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 1ict s LYS 15 CO -0.10 0.63 -0.04 0.08 -0.36 0.00 0.00 175.35 175.57 1ict s VAL 16 N -0.93 0.47 -0.08 4.02 1.01 0.67 -1.91 120.40 123.64 1ict s VAL 16 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1ict s VAL 16 Cb -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1ict s VAL 16 CO 0.05 0.21 -0.22 -0.76 0.00 0.00 0.00 175.10 174.38 1ict s LEU 17 N 0.95 2.23 -0.32 3.92 1.43 -0.14 -0.77 118.68 125.97 1ict s LEU 17 Ca -0.11 -0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 52.25 1ict s LEU 17 Cb -0.14 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1ict s LEU 17 CO -0.00 0.21 0.99 -0.62 0.23 0.00 0.00 176.35 177.16 1ict s ASP 18 N 0.03 6.84 -0.01 2.29 -1.08 0.54 -1.05 116.67 124.24 1ict s ASP 18 Ca -0.09 0.90 0.16 0.00 -0.52 0.00 0.00 52.55 53.01 1ict s ASP 18 Cb -0.15 -2.50 0.48 0.00 -1.46 0.00 0.00 42.92 39.29 1ict s ASP 18 CO 0.05 -0.82 1.40 0.00 0.52 0.00 0.00 175.17 176.32 1ict n ALA 19 N 6.72 2.46 -0.01 3.66 0.00 -0.40 -2.48 120.51 130.45 1ict n ALA 19 Ca 0.10 -0.97 0.03 0.00 0.00 0.00 0.00 53.44 52.60 1ict n ALA 19 Cb 0.47 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 1ict n ALA 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ict n VAL 20 N 1.06 0.10 0.21 0.00 3.14 -1.26 -4.55 118.33 117.02 1ict n VAL 20 Ca 0.18 -0.23 0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1ict n VAL 20 Cb 0.48 0.11 0.01 0.00 -1.06 0.00 0.00 33.84 33.38 1ict n VAL 20 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1ict n ARG 21 N -1.89 0.88 -3.68 1.45 1.74 -1.26 -5.02 116.66 108.89 1ict n ARG 21 Ca -0.04 -0.64 -0.25 0.00 -0.77 0.00 0.00 57.85 56.16 1ict n ARG 21 Cb 0.32 -1.02 0.06 0.00 -1.02 0.00 0.00 32.46 30.81 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 0.45 -0.49 3.28 -0.13 0.00 -1.03 -4.99 105.19 102.28 1ict n GLY 22 Ca 0.03 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.54 1.53 0.28 1.61 1.04 -1.06 -5.02 113.70 108.54 1ict s SER 23 Ca 0.49 -1.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.09 1ict s SER 23 Cb -0.23 0.53 -0.08 0.00 0.10 0.00 0.00 66.02 66.35 1ict s SER 23 CO 0.77 -1.03 0.63 -2.84 0.98 0.00 0.00 173.24 171.75 1ict s PRO 24 N -3.54 3.86 -0.42 4.02 0.02 -1.26 -0.34 135.00 137.33 1ict s PRO 24 Ca 0.40 0.40 -0.28 0.00 0.02 0.00 0.00 61.00 61.54 1ict s PRO 24 Cb 0.03 -2.55 -0.00 0.00 0.02 0.00 0.00 34.50 31.99 1ict s PRO 24 CO 0.25 0.23 1.62 0.00 -0.33 0.00 0.00 177.00 178.77 1ict s ALA 25 N -1.94 2.85 -0.18 -1.55 0.00 0.05 -4.51 121.76 116.48 1ict s ALA 25 Ca 0.50 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 1ict s ALA 25 Cb -0.11 -4.03 -0.04 0.00 0.00 0.00 0.00 23.12 18.95 1ict s ALA 25 CO 0.21 -2.73 0.49 0.96 0.00 0.00 0.00 175.76 174.70 1ict s ILE 26 N 6.51 5.14 -0.62 0.00 -0.00 -1.26 -4.16 121.20 126.81 1ict s ILE 26 Ca 0.68 0.91 -0.03 0.00 -0.00 0.00 0.00 60.65 62.22 1ict s ILE 26 Cb -0.17 -3.82 -0.03 0.00 -0.00 0.00 0.00 42.46 38.44 1ict s ILE 26 CO 0.31 0.22 0.54 -3.20 -0.00 0.00 0.00 174.94 172.80 1ict n ASN 27 N 4.53 -4.03 -4.41 4.36 4.05 -0.02 -4.98 115.26 114.76 1ict n ASN 27 Ca -0.06 -0.39 -0.36 0.00 0.45 0.00 0.00 54.58 54.21 1ict n ASN 27 Cb 0.51 -3.18 -0.13 0.00 1.23 0.00 0.00 39.78 38.21 1ict n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ict s VAL 28 N -3.22 4.15 -0.12 3.44 1.01 -1.26 -4.75 120.40 119.64 1ict s VAL 28 Ca 0.20 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1ict s VAL 28 Cb -0.03 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1ict s VAL 28 CO 0.42 0.30 1.92 0.00 0.00 0.00 0.00 175.10 177.74 1ict s ALA 29 N 1.58 3.23 -0.02 5.51 0.00 -1.26 -1.92 121.76 128.88 1ict s ALA 29 Ca 0.06 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1ict s ALA 29 Cb -0.15 -3.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 1ict s ALA 29 CO 0.03 -2.06 -0.22 0.08 0.00 0.00 0.00 175.76 173.59 1ict s VAL 30 N 5.84 2.45 -0.06 0.00 1.01 0.03 -0.59 120.40 129.08 1ict s VAL 30 Ca 0.86 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1ict s VAL 30 Cb -0.34 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1ict s VAL 30 CO 0.35 0.55 -0.05 -1.00 0.00 0.00 0.00 175.10 174.95 1ict s HIS 31 N -0.69 0.85 -0.16 5.22 3.76 0.41 -2.36 115.29 122.31 1ict s HIS 31 Ca 0.11 -0.27 -0.06 0.00 -0.15 0.00 0.00 55.06 54.69 1ict s HIS 31 Cb -0.10 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 1ict s HIS 31 CO 0.00 -0.24 0.05 0.08 -0.85 0.00 0.00 174.74 173.78 1ict s VAL 32 N 1.13 4.71 0.14 -0.90 1.01 -0.43 -0.64 120.40 125.41 1ict s VAL 32 Ca -0.08 -0.07 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1ict s VAL 32 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1ict s VAL 32 CO -0.01 0.50 -0.20 -0.36 0.00 0.00 0.00 175.10 175.02 1ict s PHE 33 N 0.07 1.88 -0.15 5.22 0.08 0.04 -1.46 117.98 123.66 1ict s PHE 33 Ca 0.05 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1ict s PHE 33 Cb -0.12 -0.97 0.03 0.00 -0.57 0.00 0.00 43.02 41.38 1ict s PHE 33 CO 0.01 0.30 -0.12 0.50 -0.10 0.00 0.00 175.22 175.81 1ict s ARG 34 N -2.40 2.03 -0.40 0.44 3.52 -1.02 -1.07 118.95 120.04 1ict s ARG 34 Ca 0.12 -0.53 -0.28 0.00 -0.13 0.00 0.00 55.73 54.91 1ict s ARG 34 Cb -0.08 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 1ict s ARG 34 CO 0.06 -0.28 1.71 0.21 -0.81 0.00 0.00 175.30 176.18 1ict s LYS 35 N 1.53 3.28 0.00 5.12 2.20 -1.05 -1.81 119.74 129.01 1ict s LYS 35 Ca 0.04 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1ict s LYS 35 Cb -0.13 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.00 1ict s LYS 35 CO -0.10 -1.93 0.00 0.00 -0.36 0.00 0.00 175.35 172.96 1ict n ALA 36 N 10.31 0.00 -0.25 3.13 0.00 -0.52 -4.62 120.51 128.56 1ict n ALA 36 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.66 1ict n ALA 36 Cb 0.48 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.07 1ict n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ict h ALA 37 N -1.76 1.02 0.00 0.00 0.00 -1.93 -2.43 119.26 114.16 1ict h ALA 37 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ict h ALA 37 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ict h ALA 37 CO 0.00 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 178.84 1ict n ASP 38 N -4.83 0.00 -2.24 0.00 5.75 -1.26 -4.79 116.55 109.18 1ict n ASP 38 Ca 0.11 -0.38 -0.17 0.00 -0.01 0.00 0.00 54.79 54.33 1ict n ASP 38 Cb 0.27 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.37 1ict n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ict n ASP 39 N -0.60 -5.13 -4.17 -1.12 2.03 -0.91 -5.02 116.55 101.63 1ict n ASP 39 Ca 0.01 -0.15 -0.11 0.00 0.52 0.00 0.00 54.79 55.07 1ict n ASP 39 Cb 0.00 -4.08 -0.10 0.00 -0.72 0.00 0.00 41.12 36.23 1ict n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ict s THR 40 N -2.97 0.15 0.18 5.18 -4.23 -1.26 -4.97 115.64 107.72 1ict s THR 40 Ca 0.15 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1ict s THR 40 Cb -0.06 -2.14 -0.07 0.00 1.34 0.00 0.00 72.50 71.56 1ict s THR 40 CO 0.18 -0.38 0.58 0.26 -0.54 0.00 0.00 174.62 174.72 1ict s TRP 41 N -4.02 3.55 -0.07 3.99 0.52 -1.26 -1.43 118.94 120.21 1ict s TRP 41 Ca 0.27 1.06 0.03 0.00 0.02 0.00 0.00 56.10 57.48 1ict s TRP 41 Cb 0.07 -2.38 0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1ict s TRP 41 CO 0.04 0.36 -0.17 -1.21 0.02 0.00 0.00 176.95 175.99 1ict s GLU 42 N -2.22 2.14 -0.57 4.98 2.02 -0.75 -4.88 118.70 119.41 1ict s GLU 42 Ca 0.42 -0.60 -0.13 0.00 0.02 0.00 0.00 54.97 54.67 1ict s GLU 42 Cb -0.14 -1.71 -0.13 0.00 0.10 0.00 0.00 34.13 32.24 1ict s GLU 42 CO 0.20 0.12 1.63 -2.30 0.02 0.00 0.00 175.26 174.93 1ict n PRO 43 N 3.59 0.07 0.31 0.39 -0.02 -1.26 -2.45 135.00 135.63 1ict n PRO 43 Ca -0.21 -0.77 -0.15 0.00 -2.02 0.00 0.00 63.50 60.36 1ict n PRO 43 Cb 0.52 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 1ict n PRO 43 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1ict h PHE 44 N 10.48 -0.76 -3.89 6.00 3.57 -1.59 -3.48 116.94 127.27 1ict h PHE 44 Ca 0.00 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1ict h PHE 44 Cb 1.01 0.25 -0.13 0.00 2.79 0.00 0.00 35.95 39.87 1ict h PHE 44 CO 1.32 -0.42 -0.35 0.00 -2.23 0.00 0.00 178.31 176.63 1ict s ALA 45 N -5.06 -0.01 0.29 2.41 0.00 -0.89 -5.01 121.76 113.49 1ict s ALA 45 Ca -0.15 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 1ict s ALA 45 Cb 0.02 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1ict s ALA 45 CO 0.48 -0.61 0.47 -1.12 0.00 0.00 0.00 175.76 174.98 1ict s SER 46 N -2.95 0.28 0.00 0.00 0.01 -1.26 -1.31 113.70 108.46 1ict s SER 46 Ca 0.15 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1ict s SER 46 Cb 0.04 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1ict s SER 46 CO -0.02 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.02 1ict n GLY 47 N -0.45 0.85 3.05 3.44 0.00 -1.00 -4.94 105.19 106.14 1ict n GLY 47 Ca -0.01 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.96 1.04 0.35 1.61 1.02 -1.26 -0.79 119.74 119.75 1ict s LYS 48 Ca 0.00 -0.40 -0.28 0.00 0.02 0.00 0.00 55.97 55.31 1ict s LYS 48 Cb 0.00 -0.98 -0.12 0.00 -0.52 0.00 0.00 37.83 36.21 1ict s LYS 48 CO 0.00 0.21 1.41 0.25 -0.92 0.00 0.00 175.35 176.30 1ict n THR 49 N 3.00 1.91 0.00 2.17 -2.24 -0.81 -4.78 114.28 113.53 1ict n THR 49 Ca -0.16 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1ict n THR 49 Cb 0.55 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1ict n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ict n SER 50 N 0.73 0.00 0.13 3.42 3.41 -1.16 -0.84 113.62 119.32 1ict n SER 50 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1ict n SER 50 Cb 0.37 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1ict n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ict h GLU 51 N 0.00 0.00 -0.01 4.33 4.81 -1.91 -3.21 114.58 118.58 1ict h GLU 51 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ict h GLU 51 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ict h GLU 51 CO 0.00 0.61 -0.03 -1.13 -0.73 0.00 0.00 179.01 177.73 1ict n SER 52 N -3.32 1.30 0.00 1.04 3.41 -1.26 -4.77 113.62 110.02 1ict n SER 52 Ca 0.01 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1ict n SER 52 Cb 0.75 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.18 0.64 3.67 5.00 0.00 -1.21 -4.79 105.19 109.68 1ict n GLY 53 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1ict n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ict s GLU 54 N -0.04 3.31 -0.30 1.61 2.12 -1.26 -0.24 118.70 123.91 1ict s GLU 54 Ca 0.00 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 1ict s GLU 54 Cb 0.00 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.50 1ict s GLU 54 CO 0.00 0.57 0.02 -1.17 -0.54 0.00 0.00 175.26 174.14 1ict s LEU 55 N -0.49 3.83 0.31 2.70 2.96 0.77 -2.98 118.68 125.78 1ict s LEU 55 Ca 0.09 -1.05 0.09 0.00 -0.22 0.00 0.00 54.13 53.04 1ict s LEU 55 Cb -0.12 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.74 1ict s LEU 55 CO 0.02 -0.23 -0.11 -1.38 -1.32 0.00 0.00 176.35 173.33 1ict s HIS 56 N 1.35 2.26 -0.47 5.38 -3.43 -1.26 -2.02 115.29 117.10 1ict s HIS 56 Ca -0.02 -0.51 -0.01 0.00 -0.80 0.00 0.00 55.06 53.72 1ict s HIS 56 Cb -0.19 -1.23 -0.01 0.00 -1.43 0.00 0.00 32.58 29.73 1ict s HIS 56 CO -0.00 0.54 0.40 0.41 -2.00 0.00 0.00 174.74 174.08 1ict n GLY 57 N -0.70 0.09 0.10 -1.38 0.00 -1.26 -4.99 105.19 97.05 1ict n GLY 57 Ca -0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.26 1.28 0.00 0.99 4.77 -1.26 -5.04 117.00 115.48 1ict n LEU 58 Ca -0.08 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 1ict n LEU 58 Cb 0.56 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ict n LEU 58 CO 0.25 0.64 0.04 0.35 -1.33 0.00 0.00 177.39 177.34 1ict n THR 59 N -2.90 0.00 -4.34 -5.08 -2.24 -1.26 -4.82 114.28 93.64 1ict n THR 59 Ca -0.35 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 1ict n THR 59 Cb 1.03 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.84 0.42 0.64 4.28 -4.23 -1.26 -4.72 115.64 107.94 1ict s THR 60 Ca 0.02 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.88 1ict s THR 60 Cb -0.00 -2.55 0.37 0.00 1.34 0.00 0.00 72.50 71.66 1ict s THR 60 CO 0.01 0.00 2.15 1.05 -0.54 0.00 0.00 174.62 177.29 1ict h GLU 61 N 2.25 0.00 0.00 3.99 4.11 -2.02 -3.01 114.58 119.90 1ict h GLU 61 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1ict h GLU 61 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ict h GLU 61 CO 0.55 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.02 1ict n GLU 62 N -3.24 0.00 -1.48 1.06 4.71 -1.26 -4.15 120.64 116.29 1ict n GLU 62 Ca -0.01 0.44 -0.41 0.00 -0.01 0.00 0.00 57.16 57.17 1ict n GLU 62 Cb 0.24 -1.13 -0.02 0.00 -1.01 0.00 0.00 31.44 29.52 1ict n GLU 62 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ict n GLU 63 N -1.83 2.62 -2.74 3.49 4.71 -1.14 -4.40 120.64 121.35 1ict n GLU 63 Ca 0.00 -2.30 -0.08 0.00 -0.01 0.00 0.00 57.16 54.77 1ict n GLU 63 Cb 0.00 -3.08 0.05 0.00 -1.01 0.00 0.00 31.44 27.40 1ict n GLU 63 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ict n PHE 64 N 5.93 -3.11 -2.20 -0.32 -0.00 -1.25 -4.42 117.46 112.09 1ict n PHE 64 Ca 0.55 -1.68 -0.27 0.00 -0.00 0.00 0.00 57.45 56.05 1ict n PHE 64 Cb 0.35 1.53 0.14 0.00 -0.00 0.00 0.00 39.48 41.50 1ict n PHE 64 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1ict s VAL 65 N 0.64 2.09 -1.41 -2.13 -7.23 -1.26 -4.95 120.40 106.14 1ict s VAL 65 Ca 0.31 -0.25 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1ict s VAL 65 Cb 0.23 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1ict s VAL 65 CO -0.23 0.00 2.51 -0.62 -0.31 0.00 0.00 175.10 176.46 1ict n GLU 66 N -3.29 3.03 -4.45 4.82 1.02 -1.26 -4.74 120.64 115.77 1ict n GLU 66 Ca 0.14 -2.23 -0.27 0.00 -0.02 0.00 0.00 57.16 54.77 1ict n GLU 66 Cb 0.60 -2.95 -0.07 0.00 -0.02 0.00 0.00 31.44 29.00 1ict n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ict n GLY 67 N 3.87 3.36 3.77 0.62 0.00 -1.26 -4.92 105.19 110.63 1ict n GLY 67 Ca 0.63 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.97 4.76 0.41 -0.61 1.01 -1.26 -2.18 121.20 120.36 1ict s ILE 68 Ca 0.13 1.38 0.07 0.00 0.00 0.00 0.00 60.65 62.24 1ict s ILE 68 Cb 0.01 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 1ict s ILE 68 CO 0.09 0.45 0.07 -0.31 0.00 0.00 0.00 174.94 175.25 1ict s TYR 69 N -0.51 2.53 -0.21 3.97 1.51 0.96 -2.53 117.35 123.07 1ict s TYR 69 Ca 0.33 -0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1ict s TYR 69 Cb -0.20 -1.84 0.11 0.00 -0.11 0.00 0.00 41.96 39.92 1ict s TYR 69 CO 0.20 0.35 0.33 0.21 -1.11 0.00 0.00 175.55 175.53 1ict s LYS 70 N -3.78 0.28 -0.51 -0.62 2.20 -0.23 -1.88 119.74 115.18 1ict s LYS 70 Ca 0.36 0.53 -0.16 0.00 -0.36 0.00 0.00 55.97 56.34 1ict s LYS 70 Cb 0.08 -0.53 0.11 0.00 -1.51 0.00 0.00 37.83 35.98 1ict s LYS 70 CO 0.19 -0.56 0.46 0.08 -0.36 0.00 0.00 175.35 175.17 1ict s VAL 71 N 2.48 5.21 -0.32 4.02 1.01 0.25 -0.78 120.40 132.28 1ict s VAL 71 Ca 0.08 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.55 1ict s VAL 71 Cb -0.15 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1ict s VAL 71 CO -0.14 -0.76 0.45 -0.70 0.00 0.00 0.00 175.10 173.95 1ict s GLU 72 N 1.61 3.76 -0.44 2.72 2.12 0.18 -1.82 118.70 126.83 1ict s GLU 72 Ca 0.03 -0.10 -0.12 0.00 0.36 0.00 0.00 54.97 55.14 1ict s GLU 72 Cb -0.28 -3.75 0.07 0.00 0.26 0.00 0.00 34.13 30.43 1ict s GLU 72 CO 0.04 -0.50 0.33 0.42 -0.54 0.00 0.00 175.26 175.01 1ict s ILE 73 N 2.23 4.73 -0.99 -3.70 1.01 0.47 -0.44 121.20 124.51 1ict s ILE 73 Ca 0.17 -1.22 -0.25 0.00 0.00 0.00 0.00 60.65 59.34 1ict s ILE 73 Cb -0.16 -3.85 -0.15 0.00 0.01 0.00 0.00 42.46 38.31 1ict s ILE 73 CO 0.12 -0.54 2.14 -0.62 0.00 0.00 0.00 174.94 176.04 1ict s ASP 74 N 2.34 4.14 0.31 3.58 2.15 0.24 -2.11 116.67 127.32 1ict s ASP 74 Ca 0.03 -0.77 0.16 0.00 0.43 0.00 0.00 52.55 52.41 1ict s ASP 74 Cb -0.24 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.05 1ict s ASP 74 CO 0.04 -3.88 1.53 0.71 -0.17 0.00 0.00 175.17 173.41 1ict h THR 75 N 6.97 0.85 0.20 1.71 1.35 -1.86 -3.36 112.91 118.78 1ict h THR 75 Ca 0.06 -2.02 -0.01 0.00 -0.55 0.00 0.00 66.41 63.89 1ict h THR 75 Cb 0.99 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1ict h THR 75 CO 1.08 0.45 -0.09 0.50 -0.25 0.00 0.00 175.52 177.21 1ict h LYS 76 N 0.00 -0.26 -0.80 4.72 3.64 -1.73 -2.98 116.57 119.17 1ict h LYS 76 Ca -0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1ict h LYS 76 Cb 1.25 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1ict h LYS 76 CO 0.06 -0.03 0.52 0.77 -2.27 0.00 0.00 179.45 178.50 1ict h SER 77 N -0.44 0.60 -0.03 4.20 0.02 -1.86 -0.37 113.55 115.67 1ict h SER 77 Ca -0.03 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1ict h SER 77 Cb 0.34 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1ict h SER 77 CO 0.04 0.34 -0.14 0.22 -1.14 0.00 0.00 176.83 176.16 1ict h TYR 78 N 0.65 -0.35 -0.14 3.45 3.20 -1.67 -1.60 116.97 120.52 1ict h TYR 78 Ca 0.38 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.09 1ict h TYR 78 Cb 0.57 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1ict h TYR 78 CO -0.00 -0.20 -0.65 -1.49 -1.64 0.00 0.00 178.16 174.18 1ict h TRP 79 N -0.22 0.66 0.00 -3.82 4.06 -1.20 -3.17 115.95 112.27 1ict h TRP 79 Ca 0.06 -0.27 -0.05 0.00 2.06 0.00 0.00 58.89 60.70 1ict h TRP 79 Cb 0.29 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1ict h TRP 79 CO -0.21 1.02 -0.22 0.87 -3.56 0.00 0.00 178.44 176.34 1ict h LYS 80 N 0.37 0.00 -0.55 0.49 1.57 -0.86 -1.32 116.57 116.28 1ict h LYS 80 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1ict h LYS 80 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1ict h LYS 80 CO 0.12 0.22 -0.10 0.00 -0.57 0.00 0.00 179.45 179.11 1ict h ALA 81 N 1.78 0.78 0.00 3.86 0.00 -1.27 -2.42 119.26 122.01 1ict h ALA 81 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ict h ALA 81 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ict h ALA 81 CO 0.03 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1ict h LEU 82 N 0.91 0.00 0.00 0.00 -0.00 -1.42 -3.46 115.31 111.34 1ict h LEU 82 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1ict h LEU 82 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1ict h LEU 82 CO 0.05 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 1ict n GLY 83 N 0.24 0.95 3.71 0.83 0.00 -0.83 -5.09 105.19 105.00 1ict n GLY 83 Ca 0.02 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 4.36 -0.53 -0.61 1.01 -0.56 -5.00 121.20 117.87 1ict s ILE 84 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1ict s ILE 84 Cb 0.00 -2.93 0.12 0.00 0.01 0.00 0.00 42.46 39.66 1ict s ILE 84 CO 0.00 0.42 0.47 -0.94 0.00 0.00 0.00 174.94 174.89 1ict s SER 85 N -1.46 6.14 0.99 3.58 1.04 -1.26 -3.22 113.70 119.51 1ict s SER 85 Ca 0.19 -1.74 -0.14 0.00 0.48 0.00 0.00 55.95 54.73 1ict s SER 85 Cb -0.12 -2.19 0.19 0.00 0.10 0.00 0.00 66.02 64.00 1ict s SER 85 CO 0.09 -0.82 1.16 -2.16 0.98 0.00 0.00 173.24 172.49 1ict s PRO 86 N 1.58 0.48 -0.15 4.02 0.04 -1.26 -4.97 135.00 134.74 1ict s PRO 86 Ca 0.03 0.12 -0.10 0.00 0.04 0.00 0.00 61.00 61.09 1ict s PRO 86 Cb -0.29 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1ict s PRO 86 CO 0.03 -2.61 -0.11 0.35 0.04 0.00 0.00 177.00 174.69 1ict h PHE 87 N -1.80 0.00 -3.86 0.56 3.57 -1.81 -3.48 116.94 110.13 1ict h PHE 87 Ca -0.49 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.51 1ict h PHE 87 Cb 1.31 0.00 0.03 0.00 2.79 0.00 0.00 35.95 40.08 1ict h PHE 87 CO -0.46 0.19 0.48 -1.01 -2.23 0.00 0.00 178.31 175.29 1ict s HIS 88 N -2.22 3.40 0.09 0.41 3.76 -1.26 -4.95 115.29 114.52 1ict s HIS 88 Ca -0.16 1.65 -0.17 0.00 -0.15 0.00 0.00 55.06 56.23 1ict s HIS 88 Cb 0.02 -3.30 -0.08 0.00 1.11 0.00 0.00 32.58 30.33 1ict s HIS 88 CO 0.26 -0.78 1.48 0.93 -0.85 0.00 0.00 174.74 175.77 1ict h GLU 89 N 3.36 0.55 -2.10 1.40 4.39 -1.99 -3.38 114.58 116.81 1ict h GLU 89 Ca -0.47 -0.22 0.15 0.00 0.34 0.00 0.00 59.36 59.16 1ict h GLU 89 Cb 1.22 -0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.68 1ict h GLU 89 CO 0.65 0.76 0.57 -3.38 -1.16 0.00 0.00 179.01 176.45 1ict s HIS 90 N -4.73 -0.28 -0.13 4.33 -3.43 -1.26 -3.01 115.29 106.78 1ict s HIS 90 Ca -0.13 0.15 -0.18 0.00 -0.80 0.00 0.00 55.06 54.10 1ict s HIS 90 Cb 0.08 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.73 1ict s HIS 90 CO 0.78 -0.48 0.49 0.00 -2.00 0.00 0.00 174.74 173.52 1ict s ALA 91 N -2.97 3.48 -0.12 -1.38 0.00 -0.90 -4.92 121.76 114.96 1ict s ALA 91 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1ict s ALA 91 Cb -0.01 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.45 1ict s ALA 91 CO -0.07 -0.07 -0.11 -2.00 0.00 0.00 0.00 175.76 173.51 1ict s GLU 92 N 0.78 1.85 -0.22 0.00 2.12 -1.26 -0.39 118.70 121.57 1ict s GLU 92 Ca 0.26 -0.40 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 1ict s GLU 92 Cb -0.15 -1.74 0.01 0.00 0.26 0.00 0.00 34.13 32.51 1ict s GLU 92 CO 0.10 -0.19 -0.08 0.08 -0.54 0.00 0.00 175.26 174.63 1ict s VAL 93 N 1.41 2.91 -0.22 3.70 1.01 -0.75 -4.99 120.40 123.47 1ict s VAL 93 Ca 0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1ict s VAL 93 Cb -0.13 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1ict s VAL 93 CO -0.06 0.36 -0.11 -0.69 0.00 0.00 0.00 175.10 174.60 1ict s VAL 94 N 1.38 2.66 0.10 2.92 1.01 -1.26 -0.58 120.40 126.63 1ict s VAL 94 Ca 0.03 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1ict s VAL 94 Cb -0.15 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1ict s VAL 94 CO -0.06 0.34 0.29 0.72 0.00 0.00 0.00 175.10 176.40 1ict s PHE 95 N 1.33 -0.02 -0.04 5.22 -0.71 -0.79 -4.98 117.98 117.99 1ict s PHE 95 Ca 0.02 -0.34 -0.22 0.00 -1.04 0.00 0.00 56.93 55.36 1ict s PHE 95 Cb -0.15 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1ict s PHE 95 CO -0.07 -0.61 0.63 0.99 -1.34 0.00 0.00 175.22 174.82 1ict s THR 96 N -3.75 4.99 0.18 -4.49 2.01 -1.26 -0.02 115.64 113.29 1ict s THR 96 Ca 0.03 1.31 0.08 0.00 0.31 0.00 0.00 61.69 63.43 1ict s THR 96 Cb 0.03 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1ict s THR 96 CO -0.11 0.33 -0.07 0.00 -0.69 0.00 0.00 174.62 174.08 1ict s ALA 97 N 0.34 3.01 -0.23 7.40 0.00 -0.93 -4.70 121.76 126.64 1ict s ALA 97 Ca 0.33 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1ict s ALA 97 Cb -0.18 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1ict s ALA 97 CO 0.17 0.48 0.00 0.09 0.00 0.00 0.00 175.76 176.50 1ict n ASN 98 N 0.03 -3.27 0.14 0.00 4.13 -1.26 -4.08 115.26 110.95 1ict n ASN 98 Ca -0.11 0.05 0.06 0.00 1.68 0.00 0.00 54.58 56.27 1ict n ASN 98 Cb 0.55 -2.31 0.32 0.00 -1.54 0.00 0.00 39.78 36.81 1ict n ASN 98 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1ict n ASP 99 N 0.57 0.31 -2.69 6.41 3.85 -1.26 -1.92 116.55 121.82 1ict n ASP 99 Ca -0.02 0.53 -0.09 0.00 -0.71 0.00 0.00 54.79 54.50 1ict n ASP 99 Cb 0.30 -0.49 0.03 0.00 -1.35 0.00 0.00 41.12 39.61 1ict n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1ict n SER 100 N -1.96 1.31 0.00 -1.12 7.64 -1.26 -5.11 113.62 113.11 1ict n SER 100 Ca -0.01 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1ict n SER 100 Cb 0.29 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1ict n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ict n GLY 101 N -0.06 1.04 3.69 0.23 0.00 -0.81 -4.97 105.19 104.31 1ict n GLY 101 Ca 0.09 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1ict n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ict s PRO 102 N -2.00 4.38 0.04 1.61 0.04 -1.26 -4.47 135.00 133.34 1ict s PRO 102 Ca 0.00 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1ict s PRO 102 Cb 0.00 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1ict s PRO 102 CO 0.00 -0.39 0.09 1.03 0.04 0.00 0.00 177.00 177.77 1ict s ARG 103 N 1.90 0.59 -0.03 4.56 0.52 -1.26 -4.68 118.95 120.56 1ict s ARG 103 Ca 0.56 -0.79 -0.24 0.00 -0.52 0.00 0.00 55.73 54.75 1ict s ARG 103 Cb -0.26 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 1ict s ARG 103 CO 0.24 -0.15 0.73 1.03 0.02 0.00 0.00 175.30 177.17 1ict s ARG 104 N -2.71 4.45 -0.29 3.54 0.52 0.29 -4.91 118.95 119.85 1ict s ARG 104 Ca -0.04 0.95 0.01 0.00 -0.52 0.00 0.00 55.73 56.13 1ict s ARG 104 Cb -0.01 -3.41 0.06 0.00 0.52 0.00 0.00 34.95 32.11 1ict s ARG 104 CO -0.05 0.15 -0.04 0.71 0.02 0.00 0.00 175.30 176.08 1ict s TYR 105 N 0.48 3.32 -0.37 -0.53 1.51 0.40 -2.26 117.35 119.91 1ict s TYR 105 Ca 0.38 -2.22 -0.10 0.00 -1.01 0.00 0.00 57.07 54.12 1ict s TYR 105 Cb -0.19 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1ict s TYR 105 CO 0.20 -0.86 0.20 0.99 -1.11 0.00 0.00 175.55 174.96 1ict s THR 106 N 1.14 4.40 -0.55 -0.71 2.01 -1.03 -2.24 115.64 118.66 1ict s THR 106 Ca -0.05 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 1ict s THR 106 Cb -0.20 -3.49 0.10 0.00 0.01 0.00 0.00 72.50 68.92 1ict s THR 106 CO -0.04 -0.26 0.61 -0.63 -0.69 0.00 0.00 174.62 173.61 1ict s ILE 107 N 1.51 4.95 0.30 1.82 -1.09 -0.20 -1.72 121.20 126.77 1ict s ILE 107 Ca 0.01 -1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1ict s ILE 107 Cb -0.20 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 1ict s ILE 107 CO 0.05 -0.96 0.50 0.00 -1.23 0.00 0.00 174.94 173.31 1ict s ALA 108 N 2.34 3.73 -0.24 9.38 0.00 0.36 -1.99 121.76 135.34 1ict s ALA 108 Ca 0.10 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1ict s ALA 108 Cb -0.25 -2.10 0.08 0.00 0.00 0.00 0.00 23.12 20.85 1ict s ALA 108 CO 0.07 0.15 0.58 0.00 0.00 0.00 0.00 175.76 176.56 1ict s ALA 109 N -2.15 -1.59 -0.12 0.00 0.00 -0.80 -1.97 121.76 115.13 1ict s ALA 109 Ca 0.40 2.09 -0.06 0.00 0.00 0.00 0.00 51.96 54.39 1ict s ALA 109 Cb -0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1ict s ALA 109 CO 0.33 -0.39 0.10 -1.17 0.00 0.00 0.00 175.76 174.62 1ict s LEU 110 N 1.68 4.13 0.09 0.00 2.96 -0.54 -0.96 118.68 126.04 1ict s LEU 110 Ca -0.09 0.35 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 1ict s LEU 110 Cb -0.07 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1ict s LEU 110 CO -0.17 0.38 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.23 1ict s LEU 111 N -0.84 2.25 0.06 -0.68 1.43 -0.21 -2.60 118.68 118.08 1ict s LEU 111 Ca 0.13 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1ict s LEU 111 Cb -0.12 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1ict s LEU 111 CO 0.03 0.18 0.31 -0.44 0.23 0.00 0.00 176.35 176.66 1ict s SER 112 N -1.65 -0.12 0.13 2.29 0.01 0.08 -1.28 113.70 113.15 1ict s SER 112 Ca 0.11 -0.24 -0.33 0.00 1.31 0.00 0.00 55.95 56.80 1ict s SER 112 Cb -0.10 0.38 -0.11 0.00 0.21 0.00 0.00 66.02 66.40 1ict s SER 112 CO 0.04 -0.66 1.54 -0.65 0.41 0.00 0.00 173.24 173.92 1ict h PRO 113 N 3.05 -0.40 -0.33 12.44 0.11 -1.99 -3.11 132.00 141.76 1ict h PRO 113 Ca -0.32 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ict h PRO 113 Cb 1.21 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ict h PRO 113 CO 0.47 -0.27 0.00 0.66 -0.21 0.00 0.00 178.00 178.65 1ict n TYR 114 N -5.33 0.43 -3.77 0.65 4.02 -1.26 -2.23 117.16 109.67 1ict n TYR 114 Ca -0.04 -0.27 -0.12 0.00 -0.01 0.00 0.00 57.90 57.46 1ict n TYR 114 Cb 0.34 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.29 -0.14 -0.13 7.72 0.15 -1.18 -4.93 113.70 113.91 1ict s SER 115 Ca 0.32 -0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.63 1ict s SER 115 Cb 0.19 0.32 0.09 0.00 -1.71 0.00 0.00 66.02 64.90 1ict s SER 115 CO 0.26 -0.50 0.81 -0.72 1.20 0.00 0.00 173.24 174.29 1ict s TYR 116 N -1.76 -0.58 0.13 3.44 -0.85 -1.26 -0.74 117.35 115.73 1ict s TYR 116 Ca -0.11 1.09 0.08 0.00 -0.52 0.00 0.00 57.07 57.62 1ict s TYR 116 Cb -0.04 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1ict s TYR 116 CO 0.01 -0.47 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.83 1ict s SER 117 N -0.84 2.64 -0.14 -0.18 1.04 -1.07 -5.00 113.70 110.15 1ict s SER 117 Ca -0.06 -0.76 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 1ict s SER 117 Cb -0.01 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.02 1ict s SER 117 CO 0.05 0.03 0.12 0.28 0.98 0.00 0.00 173.24 174.70 1ict s THR 118 N -1.51 -0.16 0.10 2.02 -1.32 -1.26 -1.46 115.64 112.05 1ict s THR 118 Ca 0.10 0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.68 1ict s THR 118 Cb -0.08 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1ict s THR 118 CO 0.05 -0.11 0.02 -0.89 -2.21 0.00 0.00 174.62 171.48 1ict s THR 119 N 2.20 4.07 -0.13 5.08 2.01 -0.83 -4.96 115.64 123.08 1ict s THR 119 Ca 0.04 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.02 1ict s THR 119 Cb -0.15 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1ict s THR 119 CO -0.08 0.08 -0.15 0.00 -0.69 0.00 0.00 174.62 173.77 1ict s ALA 120 N -1.40 2.51 -0.35 7.40 0.00 -1.26 -0.49 121.76 128.17 1ict s ALA 120 Ca 0.27 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1ict s ALA 120 Cb -0.11 -1.14 0.06 0.00 0.00 0.00 0.00 23.12 21.92 1ict s ALA 120 CO 0.19 0.19 0.11 0.08 0.00 0.00 0.00 175.76 176.33 1ict s VAL 121 N 0.46 3.57 -0.36 0.00 1.01 -0.70 -5.00 120.40 119.37 1ict s VAL 121 Ca -0.11 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.46 1ict s VAL 121 Cb -0.16 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ict s VAL 121 CO 0.05 -0.26 0.14 -0.69 0.00 0.00 0.00 175.10 174.34 1ict s VAL 122 N 1.33 3.82 0.25 2.92 1.01 -1.26 -2.45 120.40 126.02 1ict s VAL 122 Ca -0.01 -1.28 0.11 0.00 0.00 0.00 0.00 61.98 60.80 1ict s VAL 122 Cb -0.20 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1ict s VAL 122 CO 0.01 -0.29 -0.19 0.42 0.00 0.00 0.00 175.10 175.05 1ict s THR 123 N 1.38 2.26 0.04 3.92 -4.23 -0.96 -4.96 115.64 113.09 1ict s THR 123 Ca 0.00 -2.32 0.05 0.00 -1.18 0.00 0.00 61.69 58.24 1ict s THR 123 Cb -0.21 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 1ict s THR 123 CO 0.02 -0.43 -0.15 0.54 -0.54 0.00 0.00 174.62 174.05 1ict s ASN 124 N -3.39 1.80 0.00 3.99 4.22 -1.26 0.11 114.94 120.40 1ict s ASN 124 Ca 0.27 -0.46 0.04 0.00 -2.14 0.00 0.00 52.86 50.57 1ict s ASN 124 Cb -0.04 -0.13 0.23 0.00 1.28 0.00 0.00 41.25 42.59 1ict s ASN 124 CO 0.12 0.06 0.71 -2.65 -2.04 0.00 0.00 177.10 173.30