#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 0.00 -3.23 0.00 0.13 -1.87 -3.37 132.00 123.66 1ict h PRO 11 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1ict h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1ict h PRO 11 CO 0.00 0.15 -0.74 -1.17 -0.23 0.00 0.00 178.00 176.01 1ict s LEU 12 N -7.06 2.75 -0.07 1.56 2.96 -1.26 -0.05 118.68 117.51 1ict s LEU 12 Ca -0.02 -2.38 -0.03 0.00 -0.22 0.00 0.00 54.13 51.48 1ict s LEU 12 Cb 0.12 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1ict s LEU 12 CO 0.60 -0.31 0.08 -0.32 -1.32 0.00 0.00 176.35 175.08 1ict s MET 13 N 0.66 3.18 -0.21 1.98 1.75 -0.80 -4.42 119.30 121.44 1ict s MET 13 Ca 0.15 -0.33 -0.05 0.00 -1.25 0.00 0.00 55.69 54.22 1ict s MET 13 Cb -0.23 -2.96 0.08 0.00 2.84 0.00 0.00 34.83 34.56 1ict s MET 13 CO -0.06 0.72 0.11 0.08 -0.65 0.00 0.00 175.02 175.22 1ict s VAL 14 N -1.03 -0.10 0.03 10.11 1.01 -1.22 -1.82 120.40 127.39 1ict s VAL 14 Ca 0.17 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1ict s VAL 14 Cb -0.12 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1ict s VAL 14 CO 0.06 -0.44 0.29 -0.54 0.00 0.00 0.00 175.10 174.48 1ict s LYS 15 N 2.14 3.61 -0.08 2.72 1.02 -1.17 -2.61 119.74 125.37 1ict s LYS 15 Ca 0.05 -0.04 -0.02 0.00 0.02 0.00 0.00 55.97 55.97 1ict s LYS 15 Cb -0.16 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1ict s LYS 15 CO -0.19 0.63 0.05 0.08 -0.92 0.00 0.00 175.35 174.99 1ict s VAL 16 N -1.33 0.04 0.33 3.17 1.01 0.48 -2.28 120.40 121.82 1ict s VAL 16 Ca 0.29 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1ict s VAL 16 Cb -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1ict s VAL 16 CO 0.17 0.11 0.30 -0.76 0.00 0.00 0.00 175.10 174.92 1ict s LEU 17 N 2.10 3.65 -0.27 3.92 1.43 0.17 -0.48 118.68 129.20 1ict s LEU 17 Ca 0.04 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1ict s LEU 17 Cb -0.13 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 43.88 1ict s LEU 17 CO -0.05 -0.34 -0.08 -0.62 0.23 0.00 0.00 176.35 175.49 1ict s ASP 18 N -4.00 4.55 0.00 2.29 -1.08 -0.32 -0.82 116.67 117.29 1ict s ASP 18 Ca 0.41 -1.38 0.21 0.00 -0.52 0.00 0.00 52.55 51.27 1ict s ASP 18 Cb -0.06 -1.59 1.23 0.00 -1.46 0.00 0.00 42.92 41.04 1ict s ASP 18 CO 0.27 -0.21 1.80 0.00 0.52 0.00 0.00 175.17 177.55 1ict n ALA 19 N 4.47 2.62 -0.12 3.66 0.00 0.15 -1.56 120.51 129.74 1ict n ALA 19 Ca -0.14 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 1ict n ALA 19 Cb 0.42 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.77 1.41 1.20 0.00 0.31 -1.26 -4.58 118.33 114.65 1ict n VAL 20 Ca 0.16 -0.28 0.13 0.00 -0.01 0.00 0.00 64.34 64.33 1ict n VAL 20 Cb 0.09 -1.91 0.38 0.00 -0.91 0.00 0.00 33.84 31.49 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 -4.18 0.61 -3.44 5.55 1.74 -1.25 -4.96 116.66 110.73 1ict n ARG 21 Ca -0.45 -0.34 -0.19 0.00 -0.77 0.00 0.00 57.85 56.10 1ict n ARG 21 Cb 0.80 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.83 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 1.37 -0.38 3.36 -0.13 0.00 -0.60 -5.02 105.19 103.79 1ict n GLY 22 Ca 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.71 0.06 0.62 1.61 1.04 -1.17 -4.99 113.70 107.15 1ict s SER 23 Ca 0.31 -1.18 -0.16 0.00 0.48 0.00 0.00 55.95 55.40 1ict s SER 23 Cb -0.14 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1ict s SER 23 CO 0.68 -0.96 1.11 -2.16 0.98 0.00 0.00 173.24 172.89 1ict s PRO 24 N -4.09 3.00 -0.58 4.02 0.04 -1.26 -1.18 135.00 134.95 1ict s PRO 24 Ca 0.31 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.56 1ict s PRO 24 Cb 0.04 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.67 1ict s PRO 24 CO 0.10 -1.10 0.84 0.00 0.04 0.00 0.00 177.00 176.88 1ict s ALA 25 N -2.20 3.23 0.15 8.56 0.00 0.37 -4.70 121.76 127.18 1ict s ALA 25 Ca 0.68 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1ict s ALA 25 Cb -0.21 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.19 1ict s ALA 25 CO 0.37 -2.41 0.97 0.42 0.00 0.00 0.00 175.76 175.11 1ict s ILE 26 N 3.52 4.32 -1.25 0.00 1.09 -1.26 -4.21 121.20 123.41 1ict s ILE 26 Ca 0.22 2.02 -0.03 0.00 -1.10 0.00 0.00 60.65 61.76 1ict s ILE 26 Cb -0.17 -4.29 -0.01 0.00 -1.06 0.00 0.00 42.46 36.93 1ict s ILE 26 CO 0.13 0.36 0.76 0.59 -0.10 0.00 0.00 174.94 176.68 1ict n ASN 27 N 2.43 -2.28 -4.54 3.58 4.13 -0.71 -4.97 115.26 112.90 1ict n ASN 27 Ca 0.01 -0.81 -0.38 0.00 1.68 0.00 0.00 54.58 55.08 1ict n ASN 27 Cb 0.48 -4.22 -0.11 0.00 -1.54 0.00 0.00 39.78 34.39 1ict n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ict s VAL 28 N -3.59 5.05 0.52 2.41 1.01 -1.26 -4.84 120.40 119.70 1ict s VAL 28 Ca 0.10 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 1ict s VAL 28 Cb -0.03 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1ict s VAL 28 CO 0.80 0.19 1.39 0.00 0.00 0.00 0.00 175.10 177.48 1ict s ALA 29 N 1.71 2.96 -0.04 5.51 0.00 -1.26 -2.38 121.76 128.26 1ict s ALA 29 Ca 0.06 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1ict s ALA 29 Cb -0.16 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.41 1ict s ALA 29 CO 0.09 -1.33 0.02 0.08 0.00 0.00 0.00 175.76 174.62 1ict s VAL 30 N -1.26 0.12 -0.11 0.00 1.01 -0.51 -1.47 120.40 118.18 1ict s VAL 30 Ca 0.68 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.88 1ict s VAL 30 Cb -0.42 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1ict s VAL 30 CO 0.51 0.18 -0.16 -1.00 0.00 0.00 0.00 175.10 174.63 1ict s HIS 31 N 1.56 2.01 -0.04 5.22 3.76 -0.08 -2.36 115.29 125.37 1ict s HIS 31 Ca -0.02 -0.95 0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1ict s HIS 31 Cb -0.13 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 1ict s HIS 31 CO -0.03 -0.48 -0.03 0.08 -0.85 0.00 0.00 174.74 173.43 1ict s VAL 32 N 0.97 4.02 -0.02 -0.90 1.01 0.12 0.06 120.40 125.65 1ict s VAL 32 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1ict s VAL 32 Cb -0.15 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1ict s VAL 32 CO -0.01 0.50 0.01 -0.36 0.00 0.00 0.00 175.10 175.24 1ict s PHE 33 N -0.95 0.14 -0.01 5.22 0.40 -0.26 -1.98 117.98 120.56 1ict s PHE 33 Ca 0.16 0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1ict s PHE 33 Cb -0.11 -0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 1ict s PHE 33 CO 0.05 -0.09 0.14 0.50 0.70 0.00 0.00 175.22 176.53 1ict s ARG 34 N 0.84 3.29 -0.11 0.44 3.52 -0.78 -0.64 118.95 125.50 1ict s ARG 34 Ca -0.08 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 54.84 1ict s ARG 34 Cb -0.11 -3.00 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 1ict s ARG 34 CO -0.02 0.66 1.20 0.21 -0.81 0.00 0.00 175.30 176.54 1ict s LYS 35 N -1.87 4.30 0.71 5.12 2.20 0.85 -2.73 119.74 128.32 1ict s LYS 35 Ca 0.26 1.63 -0.11 0.00 -0.36 0.00 0.00 55.97 57.38 1ict s LYS 35 Cb -0.12 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1ict s LYS 35 CO 0.17 -0.56 1.08 0.00 -0.36 0.00 0.00 175.35 175.69 1ict s ALA 36 N 2.78 2.76 0.03 3.13 0.00 -0.68 -4.72 121.76 125.06 1ict s ALA 36 Ca 0.54 -0.22 0.27 0.00 0.00 0.00 0.00 51.96 52.55 1ict s ALA 36 Cb -0.22 -3.07 1.46 0.00 0.00 0.00 0.00 23.12 21.29 1ict s ALA 36 CO 0.18 -1.20 1.82 0.00 0.00 0.00 0.00 175.76 176.55 1ict h ALA 37 N -0.70 1.01 -0.44 0.00 0.00 -1.95 -0.12 119.26 117.06 1ict h ALA 37 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ict h ALA 37 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ict h ALA 37 CO 0.62 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.60 1ict n ASP 38 N -2.45 2.42 -0.37 0.00 10.43 -1.26 -4.91 116.55 120.40 1ict n ASP 38 Ca -0.02 -1.98 -0.05 0.00 2.57 0.00 0.00 54.79 55.31 1ict n ASP 38 Cb 0.06 -0.29 -0.02 0.00 1.84 0.00 0.00 41.12 42.71 1ict n ASP 38 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1ict n ASP 39 N 0.82 -4.77 -4.93 -2.24 8.00 -0.06 -5.00 116.55 108.38 1ict n ASP 39 Ca 0.15 0.12 -0.23 0.00 0.71 0.00 0.00 54.79 55.54 1ict n ASP 39 Cb 0.39 -2.70 -0.03 0.00 -0.02 0.00 0.00 41.12 38.76 1ict n ASP 39 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ict s THR 40 N -1.79 5.13 -0.42 -3.53 -1.32 -1.26 -4.88 115.64 107.58 1ict s THR 40 Ca 0.00 -0.95 -0.22 0.00 -1.21 0.00 0.00 61.69 59.31 1ict s THR 40 Cb 0.00 -3.73 0.02 0.00 -1.51 0.00 0.00 72.50 67.28 1ict s THR 40 CO 0.00 -0.24 0.70 0.26 -2.21 0.00 0.00 174.62 173.12 1ict s TRP 41 N -1.91 3.07 -0.00 9.09 0.23 -1.26 -1.68 118.94 126.48 1ict s TRP 41 Ca 0.34 0.16 0.05 0.00 -2.03 0.00 0.00 56.10 54.61 1ict s TRP 41 Cb -0.10 -3.40 -0.03 0.00 0.03 0.00 0.00 33.47 29.97 1ict s TRP 41 CO 0.28 -0.84 -0.13 -1.83 0.96 0.00 0.00 176.95 175.39 1ict s GLU 42 N 2.96 2.38 0.50 4.98 -1.05 -1.11 -4.98 118.70 122.38 1ict s GLU 42 Ca 0.26 -0.80 -0.21 0.00 -0.15 0.00 0.00 54.97 54.07 1ict s GLU 42 Cb -0.13 -2.36 -0.10 0.00 -0.44 0.00 0.00 34.13 31.10 1ict s GLU 42 CO 0.19 0.59 0.69 -2.30 0.95 0.00 0.00 175.26 175.38 1ict n PRO 43 N 1.78 0.76 0.00 -4.83 -0.02 -1.26 -1.87 135.00 129.56 1ict n PRO 43 Ca -0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1ict n PRO 43 Cb 0.52 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.20 0.00 -3.59 6.00 7.35 -0.84 -4.66 117.46 120.52 1ict n PHE 44 Ca 0.11 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.73 1ict n PHE 44 Cb 0.43 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.22 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 -1.13 -1.99 0.26 3.13 0.00 -1.21 -5.01 121.76 115.82 1ict s ALA 45 Ca 0.00 1.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1ict s ALA 45 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1ict s ALA 45 CO 0.00 -0.38 0.31 -1.12 0.00 0.00 0.00 175.76 174.57 1ict s SER 46 N -1.42 0.50 0.00 0.00 0.01 -1.26 -0.70 113.70 110.83 1ict s SER 46 Ca 0.03 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1ict s SER 46 Cb -0.01 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1ict s SER 46 CO -0.03 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1ict n GLY 47 N -0.42 2.44 3.46 3.44 0.00 -0.99 -4.90 105.19 108.22 1ict n GLY 47 Ca 0.02 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.02 2.01 0.39 1.61 1.02 -1.26 -1.42 119.74 120.06 1ict s LYS 48 Ca 0.00 -1.02 -0.27 0.00 0.02 0.00 0.00 55.97 54.70 1ict s LYS 48 Cb 0.00 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 1ict s LYS 48 CO 0.00 0.53 1.35 0.95 -0.92 0.00 0.00 175.35 177.26 1ict s THR 49 N -0.97 2.47 0.00 2.17 -4.23 -1.00 -4.73 115.64 109.34 1ict s THR 49 Ca 0.15 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1ict s THR 49 Cb -0.10 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1ict s THR 49 CO 0.06 0.08 0.00 -1.54 -0.54 0.00 0.00 174.62 172.68 1ict n SER 50 N 0.28 -0.34 0.10 3.99 3.41 0.73 -1.74 113.62 120.04 1ict n SER 50 Ca 0.03 -0.67 -0.03 0.00 -0.26 0.00 0.00 58.87 57.94 1ict n SER 50 Cb 0.42 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.21 0.00 4.33 4.11 -1.92 -2.29 114.58 119.02 1ict h GLU 51 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1ict h GLU 51 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ict h GLU 51 CO 0.00 0.67 0.00 -1.13 0.07 0.00 0.00 179.01 178.62 1ict n SER 52 N -3.95 0.00 -0.81 3.06 3.41 -1.26 -4.69 113.62 109.38 1ict n SER 52 Ca -0.02 -0.50 -0.00 0.00 -0.26 0.00 0.00 58.87 58.09 1ict n SER 52 Cb 0.55 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.79 0.67 3.68 5.00 0.00 -0.86 -4.79 105.19 109.68 1ict n GLY 53 Ca 0.17 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1ict n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ict s GLU 54 N -4.50 1.18 -0.20 1.61 -1.05 -1.26 -0.38 118.70 114.09 1ict s GLU 54 Ca 0.00 -0.59 -0.04 0.00 -0.15 0.00 0.00 54.97 54.19 1ict s GLU 54 Cb -0.00 0.44 0.07 0.00 -0.44 0.00 0.00 34.13 34.19 1ict s GLU 54 CO 0.01 -0.53 0.08 -0.48 0.95 0.00 0.00 175.26 175.29 1ict s LEU 55 N -2.81 0.64 0.00 1.83 2.34 -1.07 -0.20 118.68 119.41 1ict s LEU 55 Ca 0.09 -0.82 0.26 0.00 0.06 0.00 0.00 54.13 53.73 1ict s LEU 55 Cb -0.02 -0.36 0.60 0.00 -0.56 0.00 0.00 46.19 45.85 1ict s LEU 55 CO -0.01 -0.36 1.48 0.00 -1.06 0.00 0.00 176.35 176.40 1ict n HIS 56 N 5.20 0.00 -1.72 3.48 1.44 -1.26 -3.37 115.22 118.99 1ict n HIS 56 Ca -0.07 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.42 1ict n HIS 56 Cb 0.47 -0.02 0.08 0.00 0.12 0.00 0.00 29.99 30.63 1ict n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ict n GLY 57 N 1.29 5.94 0.08 -1.39 0.00 -1.26 -3.20 105.19 106.65 1ict n GLY 57 Ca 0.15 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 1ict n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ict h LEU 58 N 1.86 0.15 0.00 0.99 3.38 -1.80 -3.49 115.31 116.41 1ict h LEU 58 Ca 0.40 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ict h LEU 58 Cb 1.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1ict h LEU 58 CO 0.89 0.41 0.00 1.07 0.09 0.00 0.00 178.44 180.89 1ict n THR 59 N -4.84 0.00 -3.75 0.22 5.66 -1.26 -4.79 114.28 105.52 1ict n THR 59 Ca -0.06 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 1ict n THR 59 Cb 0.19 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.88 1ict n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ict s THR 60 N -2.52 0.04 0.03 1.09 -4.23 -1.26 -4.25 115.64 104.53 1ict s THR 60 Ca 0.00 -0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1ict s THR 60 Cb 0.00 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 1ict s THR 60 CO 0.00 -0.19 0.33 1.21 -0.54 0.00 0.00 174.62 175.43 1ict n GLU 61 N 1.65 -0.08 -0.36 3.99 4.07 -1.26 0.38 120.64 129.03 1ict n GLU 61 Ca -0.19 0.32 0.27 0.00 -0.06 0.00 0.00 57.16 57.50 1ict n GLU 61 Cb 0.56 -0.48 0.55 0.00 -0.06 0.00 0.00 31.44 32.02 1ict n GLU 61 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1ict h GLU 62 N 0.00 0.28 0.00 5.31 3.07 -2.02 0.92 114.58 122.14 1ict h GLU 62 Ca 0.03 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.63 1ict h GLU 62 Cb 0.07 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.88 1ict h GLU 62 CO -0.17 0.19 -1.84 -1.91 -1.40 0.00 0.00 179.01 173.88 1ict n GLU 63 N -4.67 0.65 -1.74 2.33 4.07 0.16 -4.56 120.64 116.88 1ict n GLU 63 Ca 0.29 0.12 -0.40 0.00 -0.06 0.00 0.00 57.16 57.11 1ict n GLU 63 Cb 1.05 -1.69 -0.01 0.00 -0.06 0.00 0.00 31.44 30.74 1ict n GLU 63 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1ict n PHE 64 N -2.81 2.67 -1.51 4.31 7.35 0.32 -4.97 117.46 122.81 1ict n PHE 64 Ca -0.18 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.28 1ict n PHE 64 Cb 0.95 -2.18 0.19 0.00 0.35 0.00 0.00 39.48 38.79 1ict n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1ict s VAL 65 N 0.75 1.86 0.08 -2.13 -7.23 -1.25 -4.84 120.40 107.64 1ict s VAL 65 Ca 0.58 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.44 1ict s VAL 65 Cb 0.17 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 1ict s VAL 65 CO -0.07 0.00 1.24 -0.70 -0.31 0.00 0.00 175.10 175.26 1ict s GLU 66 N -5.53 4.41 0.00 4.82 -6.30 -1.26 -4.72 118.70 110.12 1ict s GLU 66 Ca 0.70 1.85 0.00 0.00 -2.50 0.00 0.00 54.97 55.01 1ict s GLU 66 Cb -0.09 -3.32 0.00 0.00 0.00 0.00 0.00 34.13 30.72 1ict s GLU 66 CO 0.54 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1ict n GLY 67 N 3.24 0.47 3.33 -1.50 0.00 -1.25 -5.00 105.19 104.47 1ict n GLY 67 Ca 0.09 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.01 4.52 0.47 -0.61 1.01 -1.26 -0.52 121.20 122.79 1ict s ILE 68 Ca 0.00 -1.13 0.07 0.00 0.00 0.00 0.00 60.65 59.59 1ict s ILE 68 Cb 0.00 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1ict s ILE 68 CO 0.00 -0.41 0.64 -0.31 0.00 0.00 0.00 174.94 174.86 1ict s TYR 69 N 1.51 2.58 -0.27 3.97 1.51 0.16 -0.11 117.35 126.71 1ict s TYR 69 Ca 0.03 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1ict s TYR 69 Cb -0.22 -2.42 0.16 0.00 -0.11 0.00 0.00 41.96 39.37 1ict s TYR 69 CO 0.05 -0.62 0.49 0.21 -1.11 0.00 0.00 175.55 174.57 1ict s LYS 70 N -4.47 0.46 -0.34 -0.62 2.20 0.19 -1.72 119.74 115.43 1ict s LYS 70 Ca 0.57 0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 56.84 1ict s LYS 70 Cb -0.09 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 1ict s LYS 70 CO 0.35 -0.59 0.40 0.08 -0.36 0.00 0.00 175.35 175.24 1ict s VAL 71 N 2.71 5.13 -0.19 4.02 1.01 -0.75 -1.10 120.40 131.23 1ict s VAL 71 Ca 0.15 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1ict s VAL 71 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ict s VAL 71 CO -0.18 -0.12 0.06 -0.70 0.00 0.00 0.00 175.10 174.16 1ict s GLU 72 N 2.12 3.89 -0.21 2.72 2.12 0.11 -1.50 118.70 127.95 1ict s GLU 72 Ca 0.14 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.05 1ict s GLU 72 Cb -0.16 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1ict s GLU 72 CO 0.12 0.18 -0.04 0.42 -0.54 0.00 0.00 175.26 175.40 1ict s ILE 73 N 0.62 3.48 -1.27 -3.70 1.01 0.85 -0.90 121.20 121.29 1ict s ILE 73 Ca 0.03 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 1ict s ILE 73 Cb -0.13 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.80 1ict s ILE 73 CO 0.02 0.43 1.81 -0.67 0.00 0.00 0.00 174.94 176.53 1ict n ASP 74 N 4.53 4.42 0.03 3.58 2.03 -0.54 -1.52 116.55 129.07 1ict n ASP 74 Ca -0.18 -2.86 -0.08 0.00 0.52 0.00 0.00 54.79 52.19 1ict n ASP 74 Cb 0.51 -1.74 0.07 0.00 -0.72 0.00 0.00 41.12 39.25 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 5.65 1.33 -0.05 5.18 1.35 -1.88 -3.30 112.91 121.19 1ict h THR 75 Ca 0.40 -1.83 0.04 0.00 -0.55 0.00 0.00 66.41 64.46 1ict h THR 75 Cb 0.88 1.82 -0.04 0.00 -1.73 0.00 0.00 68.15 69.08 1ict h THR 75 CO 1.42 0.56 -0.21 0.50 -0.25 0.00 0.00 175.52 177.55 1ict h LYS 76 N 0.36 -0.29 -0.58 4.72 1.63 -1.70 -2.71 116.57 117.99 1ict h LYS 76 Ca 0.00 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 1ict h LYS 76 Cb 1.09 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 1ict h LYS 76 CO 0.10 -0.19 0.20 1.03 -3.45 0.00 0.00 179.45 177.14 1ict h SER 77 N -0.30 0.79 0.53 4.20 0.87 -1.85 -2.26 113.55 115.53 1ict h SER 77 Ca 0.08 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1ict h SER 77 Cb 0.41 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1ict h SER 77 CO -0.23 0.73 -0.42 0.22 -0.53 0.00 0.00 176.83 176.61 1ict h TYR 78 N 0.85 -1.15 0.00 2.24 3.20 -1.58 -2.91 116.97 117.62 1ict h TYR 78 Ca 0.20 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1ict h TYR 78 Cb 0.21 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 1ict h TYR 78 CO 0.01 -0.59 -0.08 -1.49 -1.64 0.00 0.00 178.16 174.37 1ict h TRP 79 N -0.92 0.00 0.00 -3.82 4.06 -1.47 -2.92 115.95 110.88 1ict h TRP 79 Ca -0.07 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.79 1ict h TRP 79 Cb 0.77 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.92 1ict h TRP 79 CO -0.16 0.08 -0.44 0.87 -3.56 0.00 0.00 178.44 175.23 1ict h LYS 80 N 0.00 0.00 -0.11 0.49 1.57 -1.22 -2.62 116.57 114.68 1ict h LYS 80 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1ict h LYS 80 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ict h LYS 80 CO 0.01 0.44 -0.25 0.00 -0.57 0.00 0.00 179.45 179.08 1ict h ALA 81 N 1.56 0.17 0.00 3.86 0.00 -1.36 -3.05 119.26 120.44 1ict h ALA 81 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ict h ALA 81 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ict h ALA 81 CO 0.06 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.75 1ict n LEU 82 N -4.47 0.00 0.00 0.00 4.32 -1.22 -4.79 117.00 110.84 1ict n LEU 82 Ca -0.07 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ict n LEU 82 Cb 0.45 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 1ict n LEU 82 CO 0.41 -0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1ict n GLY 83 N -0.51 3.08 3.77 -0.72 0.00 -1.15 -5.07 105.19 104.57 1ict n GLY 83 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.80 3.27 -0.44 -0.61 1.01 -0.99 -4.96 121.20 115.68 1ict s ILE 84 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1ict s ILE 84 Cb 0.00 -2.94 0.12 0.00 0.01 0.00 0.00 42.46 39.65 1ict s ILE 84 CO 0.00 -0.50 0.20 -0.55 0.00 0.00 0.00 174.94 174.09 1ict s SER 85 N -3.17 4.17 0.86 3.58 0.15 -1.26 -3.58 113.70 114.45 1ict s SER 85 Ca 0.63 -2.61 -0.11 0.00 0.70 0.00 0.00 55.95 54.56 1ict s SER 85 Cb -0.18 -1.38 0.11 0.00 -1.71 0.00 0.00 66.02 62.85 1ict s SER 85 CO 0.52 -0.29 1.10 -2.16 1.20 0.00 0.00 173.24 173.62 1ict s PRO 86 N 0.30 1.54 -0.07 5.44 0.04 -1.26 -5.00 135.00 136.00 1ict s PRO 86 Ca 0.15 1.17 -0.23 0.00 0.04 0.00 0.00 61.00 62.13 1ict s PRO 86 Cb -0.23 -1.81 -0.30 0.00 0.04 0.00 0.00 34.50 32.19 1ict s PRO 86 CO -0.04 -2.15 0.86 0.35 0.04 0.00 0.00 177.00 176.07 1ict h PHE 87 N -1.50 0.44 -3.42 0.56 3.57 -1.75 -3.47 116.94 111.37 1ict h PHE 87 Ca -0.46 -0.32 -0.54 0.00 3.53 0.00 0.00 57.97 60.18 1ict h PHE 87 Cb 1.26 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1ict h PHE 87 CO 0.51 1.26 -0.10 -1.01 -2.23 0.00 0.00 178.31 176.74 1ict s HIS 88 N -2.39 3.46 0.17 0.41 3.76 -1.26 -5.00 115.29 114.45 1ict s HIS 88 Ca -0.15 0.93 0.04 0.00 -0.15 0.00 0.00 55.06 55.74 1ict s HIS 88 Cb 0.00 -2.30 0.01 0.00 1.11 0.00 0.00 32.58 31.40 1ict s HIS 88 CO 0.80 0.30 1.39 0.93 -0.85 0.00 0.00 174.74 177.32 1ict h GLU 89 N 2.77 0.15 -1.36 1.40 4.39 -1.98 -3.36 114.58 116.60 1ict h GLU 89 Ca -0.47 -0.17 0.25 0.00 0.34 0.00 0.00 59.36 59.31 1ict h GLU 89 Cb 1.18 0.05 -0.21 0.00 -0.10 0.00 0.00 28.75 29.67 1ict h GLU 89 CO 0.68 0.92 0.84 -3.38 -1.16 0.00 0.00 179.01 176.91 1ict s HIS 90 N -3.20 -0.11 -0.23 4.33 -3.43 -1.26 -3.23 115.29 108.16 1ict s HIS 90 Ca -0.02 0.10 -0.12 0.00 -0.80 0.00 0.00 55.06 54.22 1ict s HIS 90 Cb 0.10 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.71 1ict s HIS 90 CO 0.82 -0.16 0.22 0.00 -2.00 0.00 0.00 174.74 173.62 1ict s ALA 91 N -2.05 3.60 0.13 -1.38 0.00 -0.58 -4.92 121.76 116.56 1ict s ALA 91 Ca 0.09 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.37 1ict s ALA 91 Cb -0.01 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 1ict s ALA 91 CO -0.04 -0.19 -0.26 -1.83 0.00 0.00 0.00 175.76 173.44 1ict s GLU 92 N 1.05 1.46 -0.32 0.00 -1.05 -1.26 -0.11 118.70 118.48 1ict s GLU 92 Ca 0.10 -1.32 -0.02 0.00 -0.15 0.00 0.00 54.97 53.59 1ict s GLU 92 Cb -0.14 -1.93 0.11 0.00 -0.44 0.00 0.00 34.13 31.73 1ict s GLU 92 CO 0.05 0.46 0.14 0.08 0.95 0.00 0.00 175.26 176.93 1ict s VAL 93 N -1.06 0.43 -0.21 1.83 1.01 -0.56 -5.00 120.40 116.83 1ict s VAL 93 Ca 0.14 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 1ict s VAL 93 Cb -0.10 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1ict s VAL 93 CO 0.06 -0.76 0.23 -0.69 0.00 0.00 0.00 175.10 173.95 1ict s VAL 94 N 1.64 5.32 0.22 2.92 1.01 -1.26 -1.80 120.40 128.45 1ict s VAL 94 Ca 0.11 0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 1ict s VAL 94 Cb -0.18 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1ict s VAL 94 CO -0.24 0.35 0.51 0.72 0.00 0.00 0.00 175.10 176.44 1ict s PHE 95 N 0.84 0.10 -0.20 5.22 -0.71 -0.70 -5.01 117.98 117.53 1ict s PHE 95 Ca 0.12 -0.47 -0.15 0.00 -1.04 0.00 0.00 56.93 55.39 1ict s PHE 95 Cb -0.13 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1ict s PHE 95 CO 0.04 -0.97 0.36 0.99 -1.34 0.00 0.00 175.22 174.29 1ict s THR 96 N -3.94 5.23 0.56 -4.49 2.01 -1.26 -0.67 115.64 113.08 1ict s THR 96 Ca 0.15 0.62 -0.02 0.00 0.31 0.00 0.00 61.69 62.75 1ict s THR 96 Cb -0.01 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1ict s THR 96 CO 0.03 0.27 0.81 0.00 -0.69 0.00 0.00 174.62 175.05 1ict s ALA 97 N 1.22 3.61 0.00 7.40 0.00 0.33 -4.63 121.76 129.69 1ict s ALA 97 Ca 0.17 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1ict s ALA 97 Cb -0.14 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1ict s ALA 97 CO 0.07 -0.76 0.00 0.09 0.00 0.00 0.00 175.76 175.17 1ict n ASN 98 N -2.42 0.00 -0.06 0.00 3.02 -1.26 -3.87 115.26 110.67 1ict n ASN 98 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 1ict n ASN 98 Cb 0.59 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.69 1ict n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1ict h ASP 99 N 0.73 0.39 -0.43 6.41 3.58 -1.94 -3.13 116.42 122.03 1ict h ASP 99 Ca 0.00 -0.44 -0.22 0.00 0.42 0.00 0.00 57.03 56.79 1ict h ASP 99 Cb 0.00 -0.11 -0.13 0.00 1.72 0.00 0.00 39.33 40.81 1ict h ASP 99 CO 0.00 0.75 0.28 -1.20 -2.88 0.00 0.00 179.24 176.19 1ict n SER 100 N -4.57 3.32 0.00 2.28 7.64 -1.26 -5.00 113.62 116.03 1ict n SER 100 Ca -0.06 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1ict n SER 100 Cb 0.34 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.20 -1.85 3.72 0.23 0.00 -1.18 -4.94 105.19 100.96 1ict n GLY 101 Ca 0.26 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1ict n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ict s PRO 102 N 0.00 4.33 0.10 1.61 0.02 -1.26 -4.49 135.00 135.31 1ict s PRO 102 Ca 0.00 2.04 -0.06 0.00 0.02 0.00 0.00 61.00 63.00 1ict s PRO 102 Cb 0.00 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 1ict s PRO 102 CO 0.00 -0.41 0.14 1.03 -0.33 0.00 0.00 177.00 177.43 1ict s ARG 103 N 1.07 0.87 -0.25 5.54 1.81 -1.26 -4.59 118.95 122.14 1ict s ARG 103 Ca 0.64 -1.12 -0.02 0.00 -1.72 0.00 0.00 55.73 53.50 1ict s ARG 103 Cb -0.36 0.31 0.02 0.00 -0.45 0.00 0.00 34.95 34.47 1ict s ARG 103 CO 0.30 -0.26 -0.05 1.03 -0.68 0.00 0.00 175.30 175.64 1ict s ARG 104 N -3.92 2.88 0.14 3.54 0.52 -0.69 -4.81 118.95 116.61 1ict s ARG 104 Ca 0.10 -0.95 -0.07 0.00 -0.52 0.00 0.00 55.73 54.30 1ict s ARG 104 Cb 0.06 -3.01 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 1ict s ARG 104 CO -0.07 -0.39 0.41 0.71 0.02 0.00 0.00 175.30 175.99 1ict s TYR 105 N 1.35 3.50 -0.37 -0.53 1.51 0.93 -1.98 117.35 121.75 1ict s TYR 105 Ca 0.01 0.68 0.01 0.00 -1.01 0.00 0.00 57.07 56.75 1ict s TYR 105 Cb -0.16 -2.10 0.14 0.00 -0.11 0.00 0.00 41.96 39.73 1ict s TYR 105 CO -0.04 0.43 0.22 0.99 -1.11 0.00 0.00 175.55 176.04 1ict s THR 106 N -1.61 0.45 0.79 -0.71 2.01 -0.31 -1.90 115.64 114.37 1ict s THR 106 Ca 0.40 -1.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.38 1ict s THR 106 Cb -0.12 -1.33 0.06 0.00 0.01 0.00 0.00 72.50 71.12 1ict s THR 106 CO 0.22 -0.96 1.08 -0.63 -0.69 0.00 0.00 174.62 173.64 1ict s ILE 107 N 0.90 3.31 -0.28 1.82 -1.09 -0.75 -2.31 121.20 122.80 1ict s ILE 107 Ca 0.18 0.42 -0.23 0.00 -2.23 0.00 0.00 60.65 58.80 1ict s ILE 107 Cb -0.23 -3.02 0.12 0.00 -1.58 0.00 0.00 42.46 37.75 1ict s ILE 107 CO 0.01 -0.55 0.96 0.00 -1.23 0.00 0.00 174.94 174.12 1ict s ALA 108 N -2.99 -2.00 -0.01 9.38 0.00 -0.96 -3.02 121.76 122.16 1ict s ALA 108 Ca 0.61 2.00 0.03 0.00 0.00 0.00 0.00 51.96 54.60 1ict s ALA 108 Cb -0.16 -1.46 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 1ict s ALA 108 CO 0.56 -0.28 -0.10 0.00 0.00 0.00 0.00 175.76 175.94 1ict s ALA 109 N 0.58 0.83 -0.30 0.00 0.00 -0.96 -1.73 121.76 120.17 1ict s ALA 109 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 1ict s ALA 109 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1ict s ALA 109 CO -0.08 0.18 0.12 -1.17 0.00 0.00 0.00 175.76 174.82 1ict s LEU 110 N -0.12 3.96 -0.14 0.00 2.96 0.84 -0.66 118.68 125.53 1ict s LEU 110 Ca 0.02 -0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 1ict s LEU 110 Cb -0.05 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1ict s LEU 110 CO -0.00 -0.18 0.18 -0.76 -1.32 0.00 0.00 176.35 174.27 1ict s LEU 111 N 1.58 4.33 -0.13 -0.68 1.43 -0.00 -1.55 118.68 123.66 1ict s LEU 111 Ca 0.04 0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 53.49 1ict s LEU 111 Cb -0.17 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 43.94 1ict s LEU 111 CO 0.05 0.30 0.32 -0.55 0.23 0.00 0.00 176.35 176.70 1ict s SER 112 N -0.44 -0.35 0.03 2.29 0.15 -0.71 -0.67 113.70 114.00 1ict s SER 112 Ca 0.14 0.66 -0.05 0.00 0.70 0.00 0.00 55.95 57.39 1ict s SER 112 Cb -0.12 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1ict s SER 112 CO 0.03 -0.14 0.28 -2.65 1.20 0.00 0.00 173.24 171.96 1ict n PRO 113 N 3.45 -0.08 0.00 5.44 -0.02 -1.26 -0.93 135.00 141.60 1ict n PRO 113 Ca -0.18 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1ict n PRO 113 Cb 0.56 -0.40 -0.06 0.00 -0.02 0.00 0.00 33.50 33.58 1ict n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ict n TYR 114 N -4.22 0.00 -4.11 6.00 4.02 -1.26 -2.01 117.16 115.57 1ict n TYR 114 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1ict n TYR 114 Cb 0.05 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.21 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 -2.28 0.72 0.12 7.72 0.15 -0.11 -4.90 113.70 115.12 1ict s SER 115 Ca 0.08 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.70 1ict s SER 115 Cb 0.12 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1ict s SER 115 CO 0.56 -0.03 -0.17 -0.72 1.20 0.00 0.00 173.24 174.08 1ict s TYR 116 N 0.65 1.58 -0.01 3.44 -0.85 -1.26 -1.73 117.35 119.17 1ict s TYR 116 Ca -0.08 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.02 1ict s TYR 116 Cb -0.11 -0.84 -0.00 0.00 0.38 0.00 0.00 41.96 41.39 1ict s TYR 116 CO -0.00 0.19 -0.08 0.45 -1.52 0.00 0.00 175.55 174.59 1ict s SER 117 N -2.23 0.99 -0.05 -0.18 0.15 -0.59 -4.97 113.70 106.81 1ict s SER 117 Ca 0.08 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 1ict s SER 117 Cb -0.07 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1ict s SER 117 CO 0.04 0.09 0.03 0.28 1.20 0.00 0.00 173.24 174.88 1ict s THR 118 N -0.08 0.10 0.17 6.45 -1.32 -1.26 -0.11 115.64 119.59 1ict s THR 118 Ca 0.01 0.28 0.06 0.00 -1.21 0.00 0.00 61.69 60.83 1ict s THR 118 Cb -0.05 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 1ict s THR 118 CO -0.00 0.20 0.05 0.28 -2.21 0.00 0.00 174.62 172.94 1ict s THR 119 N 1.93 4.02 -0.05 5.08 -1.32 -0.70 -4.97 115.64 119.63 1ict s THR 119 Ca 0.03 -1.29 0.02 0.00 -1.21 0.00 0.00 61.69 59.24 1ict s THR 119 Cb -0.12 -3.03 0.01 0.00 -1.51 0.00 0.00 72.50 67.85 1ict s THR 119 CO -0.04 -0.11 -0.10 0.00 -2.21 0.00 0.00 174.62 172.16 1ict s ALA 120 N -1.74 1.07 -0.21 11.08 0.00 -1.26 -2.27 121.76 128.44 1ict s ALA 120 Ca 0.29 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1ict s ALA 120 Cb -0.10 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1ict s ALA 120 CO 0.20 0.10 -0.15 0.08 0.00 0.00 0.00 175.76 176.00 1ict s VAL 121 N 0.61 2.01 -0.22 0.00 1.01 -0.98 -4.98 120.40 117.85 1ict s VAL 121 Ca -0.12 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1ict s VAL 121 Cb -0.14 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1ict s VAL 121 CO 0.02 0.27 0.07 -0.69 0.00 0.00 0.00 175.10 174.77 1ict s VAL 122 N 1.25 4.51 0.10 2.92 1.01 -1.26 -1.16 120.40 127.77 1ict s VAL 122 Ca -0.01 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.93 1ict s VAL 122 Cb -0.16 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1ict s VAL 122 CO -0.09 0.39 -0.20 0.42 0.00 0.00 0.00 175.10 175.61 1ict s THR 123 N 1.10 1.68 -0.16 3.92 -4.23 -0.84 -5.01 115.64 112.11 1ict s THR 123 Ca 0.04 -1.54 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 1ict s THR 123 Cb -0.14 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 1ict s THR 123 CO 0.03 -0.08 0.18 0.21 -0.54 0.00 0.00 174.62 174.42 1ict s ASN 124 N -1.92 6.34 0.00 3.99 2.47 -1.26 -1.70 114.94 122.87 1ict s ASN 124 Ca 0.06 0.40 0.18 0.00 0.42 0.00 0.00 52.86 53.92 1ict s ASN 124 Cb -0.10 -2.11 1.05 0.00 -1.45 0.00 0.00 41.25 38.64 1ict s ASN 124 CO 0.04 0.25 1.45 -0.81 -3.72 0.00 0.00 177.10 174.31