#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic1 s THR 2 N 0.00 3.04 0.02 5.09 2.01 -1.26 -3.04 115.64 121.50 1ic1 s THR 2 Ca 0.00 0.76 -0.20 0.00 0.31 0.00 0.00 61.69 62.57 1ic1 s THR 2 Cb 0.00 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 69.17 1ic1 s THR 2 CO 0.00 -0.03 0.44 -0.44 -0.69 0.00 0.00 174.62 173.90 1ic1 s SER 3 N -1.39 -0.33 0.03 3.53 0.01 -0.09 -4.64 113.70 110.82 1ic1 s SER 3 Ca 0.65 0.12 0.01 0.00 1.31 0.00 0.00 55.95 58.05 1ic1 s SER 3 Cb -0.29 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 1ic1 s SER 3 CO 0.34 -0.63 -0.06 0.54 0.41 0.00 0.00 173.24 173.84 1ic1 s VAL 4 N -2.15 0.38 -0.09 3.43 0.11 -1.26 -0.97 120.40 119.85 1ic1 s VAL 4 Ca -0.07 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.04 1ic1 s VAL 4 Cb -0.01 -0.45 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1ic1 s VAL 4 CO 0.00 -0.34 0.21 -0.94 -3.33 0.00 0.00 175.10 170.70 1ic1 s SER 5 N -1.32 -0.21 1.03 3.54 1.04 -0.94 -4.26 113.70 112.59 1ic1 s SER 5 Ca -0.10 0.44 -0.17 0.00 0.48 0.00 0.00 55.95 56.61 1ic1 s SER 5 Cb -0.09 0.34 0.22 0.00 0.10 0.00 0.00 66.02 66.59 1ic1 s SER 5 CO -0.00 -0.15 1.24 -2.16 0.98 0.00 0.00 173.24 173.15 1ic1 s PRO 6 N 1.14 0.16 -0.02 4.02 0.04 -1.26 -1.83 135.00 137.26 1ic1 s PRO 6 Ca -0.09 -0.23 0.14 0.00 0.04 0.00 0.00 61.00 60.86 1ic1 s PRO 6 Cb -0.10 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.45 1ic1 s PRO 6 CO -0.07 -2.76 0.34 0.43 0.04 0.00 0.00 177.00 174.98 1ic1 n SER 7 N -4.05 1.64 -3.92 6.66 7.64 -1.26 -4.73 113.62 115.60 1ic1 n SER 7 Ca 0.14 -0.09 -0.15 0.00 1.01 0.00 0.00 58.87 59.77 1ic1 n SER 7 Cb 0.59 1.57 -0.15 0.00 -1.01 0.00 0.00 64.21 65.22 1ic1 n SER 7 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ic1 s LYS 8 N -2.91 0.32 -0.08 1.43 2.36 -1.26 -0.14 119.74 119.47 1ic1 s LYS 8 Ca -0.04 -0.11 -0.04 0.00 -2.55 0.00 0.00 55.97 53.23 1ic1 s LYS 8 Cb 0.09 -0.32 0.04 0.00 -1.05 0.00 0.00 37.83 36.59 1ic1 s LYS 8 CO 0.59 0.06 0.17 0.08 1.55 0.00 0.00 175.35 177.80 1ic1 s VAL 9 N 0.04 -0.04 -0.21 4.02 1.01 0.16 -4.88 120.40 120.50 1ic1 s VAL 9 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1ic1 s VAL 9 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1ic1 s VAL 9 CO -0.00 0.06 -0.03 -0.51 0.00 0.00 0.00 175.10 174.61 1ic1 s ILE 10 N 1.05 3.54 0.03 2.22 -1.16 -1.26 0.36 121.20 125.99 1ic1 s ILE 10 Ca -0.08 -0.44 -0.12 0.00 -0.51 0.00 0.00 60.65 59.49 1ic1 s ILE 10 Cb -0.10 -2.60 0.01 0.00 0.61 0.00 0.00 42.46 40.38 1ic1 s ILE 10 CO -0.06 0.43 0.27 -1.48 -2.81 0.00 0.00 174.94 171.29 1ic1 s LEU 11 N 1.26 1.04 0.81 8.50 0.05 0.73 -4.98 118.68 126.09 1ic1 s LEU 11 Ca 0.03 -0.20 -0.13 0.00 0.05 0.00 0.00 54.13 53.88 1ic1 s LEU 11 Cb -0.14 1.20 0.08 0.00 -2.05 0.00 0.00 46.19 45.27 1ic1 s LEU 11 CO -0.01 -0.56 1.15 -2.65 -0.55 0.00 0.00 176.35 173.73 1ic1 n PRO 12 N 0.75 0.16 -1.62 1.48 -0.02 -1.26 0.34 135.00 134.83 1ic1 n PRO 12 Ca -0.19 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.04 1ic1 n PRO 12 Cb 0.59 -2.39 0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1ic1 n PRO 12 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1ic1 n ARG 13 N -3.14 0.87 0.00 -0.52 0.63 -1.05 -1.64 116.66 111.80 1ic1 n ARG 13 Ca 0.13 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1ic1 n ARG 13 Cb 0.50 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.22 1ic1 n ARG 13 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ic1 n GLY 14 N 1.27 0.80 3.16 5.14 0.00 0.12 -4.93 105.19 110.75 1ic1 n GLY 14 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1ic1 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ic1 n GLY 15 N 0.00 -3.74 3.67 -0.02 0.00 -0.65 -3.33 105.19 101.12 1ic1 n GLY 15 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1ic1 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ic1 s SER 16 N -1.03 3.95 0.16 1.61 1.04 -1.26 -2.82 113.70 115.34 1ic1 s SER 16 Ca 0.50 -1.49 -0.19 0.00 0.48 0.00 0.00 55.95 55.26 1ic1 s SER 16 Cb -0.35 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1ic1 s SER 16 CO 0.73 -0.62 0.50 -0.69 0.98 0.00 0.00 173.24 174.14 1ic1 s VAL 17 N -2.79 0.04 -0.19 5.02 1.01 -0.61 -4.97 120.40 117.90 1ic1 s VAL 17 Ca 0.23 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1ic1 s VAL 17 Cb 0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1ic1 s VAL 17 CO 0.12 -0.16 0.11 -0.76 0.00 0.00 0.00 175.10 174.41 1ic1 s LEU 18 N -2.80 4.12 -0.03 3.92 1.43 -1.26 0.28 118.68 124.34 1ic1 s LEU 18 Ca 0.04 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1ic1 s LEU 18 Cb 0.00 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1ic1 s LEU 18 CO -0.10 0.18 -0.16 -0.69 0.23 0.00 0.00 176.35 175.81 1ic1 s VAL 19 N 0.33 1.34 -0.10 -1.59 1.01 -0.15 -4.57 120.40 116.67 1ic1 s VAL 19 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1ic1 s VAL 19 Cb -0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1ic1 s VAL 19 CO -0.01 0.38 -0.11 -0.89 0.00 0.00 0.00 175.10 174.47 1ic1 s THR 20 N -0.10 3.33 -0.24 3.92 2.01 -0.76 -1.09 115.64 122.71 1ic1 s THR 20 Ca -0.00 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1ic1 s THR 20 Cb -0.09 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.07 1ic1 s THR 20 CO 0.01 0.55 -0.08 0.00 -0.69 0.00 0.00 174.62 174.41 1ic1 s SER 22 N 1.30 3.08 0.38 0.00 1.04 -0.14 -1.82 113.70 117.54 1ic1 s SER 22 Ca -0.00 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.58 1ic1 s SER 22 Cb -0.17 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1ic1 s SER 22 CO -0.05 0.04 0.11 1.07 0.98 0.00 0.00 173.24 175.38 1ic1 n THR 23 N 0.20 0.00 -0.32 2.02 5.66 -0.52 -0.91 114.28 120.42 1ic1 n THR 23 Ca -0.12 -2.12 0.00 0.00 -3.05 0.00 0.00 64.05 58.76 1ic1 n THR 23 Cb 0.57 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 1ic1 n THR 23 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ic1 n SER 24 N -1.52 0.71 -4.76 1.09 3.41 -1.17 -4.87 113.62 106.51 1ic1 n SER 24 Ca -0.08 -1.03 -0.39 0.00 -0.26 0.00 0.00 58.87 57.11 1ic1 n SER 24 Cb 0.55 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 1ic1 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ic1 h ASP 26 N 3.58 0.39 -3.80 0.00 3.32 -2.01 -3.38 116.42 114.53 1ic1 h ASP 26 Ca -0.47 -0.67 -0.63 0.00 0.02 0.00 0.00 57.03 55.29 1ic1 h ASP 26 Cb 1.21 -0.12 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 1ic1 h ASP 26 CO 0.66 1.00 -0.67 -1.58 -1.72 0.00 0.00 179.24 176.93 1ic1 s GLN 27 N -3.55 1.79 0.50 3.56 0.74 -1.26 -4.91 119.66 116.53 1ic1 s GLN 27 Ca -0.14 -2.52 -0.18 0.00 0.05 0.00 0.00 55.36 52.57 1ic1 s GLN 27 Cb 0.03 -2.94 -0.09 0.00 1.10 0.00 0.00 33.01 31.12 1ic1 s GLN 27 CO 0.78 -1.17 0.98 -2.14 -0.55 0.00 0.00 175.29 173.19 1ic1 s PRO 28 N -0.26 4.00 0.03 1.67 0.02 -1.26 -5.03 135.00 134.17 1ic1 s PRO 28 Ca 0.19 1.01 -0.17 0.00 0.02 0.00 0.00 61.00 62.05 1ic1 s PRO 28 Cb -0.21 -2.14 -0.27 0.00 0.02 0.00 0.00 34.50 31.90 1ic1 s PRO 28 CO -0.03 -0.23 1.09 0.87 -0.33 0.00 0.00 177.00 178.37 1ic1 h LYS 29 N 1.15 0.56 -3.70 5.54 1.57 -1.60 -3.47 116.57 116.61 1ic1 h LYS 29 Ca -0.47 -0.71 -0.13 0.00 -1.87 0.00 0.00 60.65 57.47 1ic1 h LYS 29 Cb 1.18 0.23 -0.19 0.00 0.08 0.00 0.00 32.23 33.53 1ic1 h LYS 29 CO 0.61 1.30 -0.51 -1.17 -0.57 0.00 0.00 179.45 179.11 1ic1 s LEU 30 N -8.01 1.72 -0.26 2.94 0.20 -1.00 -4.97 118.68 109.29 1ic1 s LEU 30 Ca -0.11 -0.41 -0.10 0.00 0.69 0.00 0.00 54.13 54.20 1ic1 s LEU 30 Cb 0.05 0.62 0.10 0.00 -0.43 0.00 0.00 46.19 46.53 1ic1 s LEU 30 CO 0.90 -0.45 0.58 -0.22 -0.29 0.00 0.00 176.35 176.87 1ic1 s LEU 31 N -1.84 -0.90 0.00 -0.68 2.96 -1.26 0.25 118.68 117.21 1ic1 s LEU 31 Ca -0.09 1.37 -0.05 0.00 -0.22 0.00 0.00 54.13 55.14 1ic1 s LEU 31 Cb -0.04 2.02 0.02 0.00 0.50 0.00 0.00 46.19 48.69 1ic1 s LEU 31 CO -0.02 -0.22 0.27 0.61 -1.32 0.00 0.00 176.35 175.66 1ic1 n GLY 32 N 5.12 1.38 3.04 7.98 0.00 -0.02 -5.01 105.19 117.67 1ic1 n GLY 32 Ca -0.14 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 1ic1 n GLY 32 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ic1 s ILE 33 N -2.57 1.17 -0.62 -0.61 2.07 -1.26 -0.50 121.20 118.87 1ic1 s ILE 33 Ca 0.06 -0.51 -0.22 0.00 -1.41 0.00 0.00 60.65 58.57 1ic1 s ILE 33 Cb -0.01 -1.06 0.07 0.00 0.13 0.00 0.00 42.46 41.59 1ic1 s ILE 33 CO 0.03 0.36 0.90 -0.70 -1.91 0.00 0.00 174.94 173.61 1ic1 s GLU 34 N 0.60 3.13 0.03 3.50 2.56 0.34 -4.93 118.70 123.93 1ic1 s GLU 34 Ca -0.14 -0.82 -0.27 0.00 0.00 0.00 0.00 54.97 53.74 1ic1 s GLU 34 Cb -0.15 -4.20 0.08 0.00 2.00 0.00 0.00 34.13 31.86 1ic1 s GLU 34 CO 0.04 -1.68 0.71 -0.08 -0.56 0.00 0.00 175.26 173.68 1ic1 s THR 35 N 3.75 0.00 -0.88 -1.70 -1.32 -1.26 -2.60 115.64 111.62 1ic1 s THR 35 Ca 0.21 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.94 1ic1 s THR 35 Cb -0.17 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1ic1 s THR 35 CO 0.11 0.00 1.31 -2.65 -2.21 0.00 0.00 174.62 171.18 1ic1 n PRO 36 N 0.21 0.09 -1.90 7.08 -0.02 -1.26 -4.94 135.00 134.26 1ic1 n PRO 36 Ca -0.16 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 60.94 1ic1 n PRO 36 Cb 0.61 -1.55 0.01 0.00 -0.02 0.00 0.00 33.50 32.56 1ic1 n PRO 36 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ic1 s LEU 37 N -3.35 4.10 -0.18 2.45 1.43 -1.26 -4.85 118.68 117.02 1ic1 s LEU 37 Ca 0.09 2.77 -0.28 0.00 -1.03 0.00 0.00 54.13 55.68 1ic1 s LEU 37 Cb 0.16 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 1ic1 s LEU 37 CO 0.73 -1.12 2.19 -2.65 0.23 0.00 0.00 176.35 175.72 1ic1 n PRO 38 N -0.24 2.10 -4.00 1.29 -0.02 -1.26 -4.83 135.00 128.04 1ic1 n PRO 38 Ca 0.06 0.61 -0.23 0.00 -2.02 0.00 0.00 63.50 61.92 1ic1 n PRO 38 Cb 0.43 -3.20 -0.06 0.00 -0.02 0.00 0.00 33.50 30.66 1ic1 n PRO 38 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1ic1 s LYS 39 N 6.07 2.35 -0.15 -0.52 -2.85 -1.26 -1.28 119.74 122.09 1ic1 s LYS 39 Ca 0.99 -1.67 -0.11 0.00 -1.00 0.00 0.00 55.97 54.18 1ic1 s LYS 39 Cb -0.36 -2.14 0.05 0.00 -2.06 0.00 0.00 37.83 33.32 1ic1 s LYS 39 CO 0.36 -0.05 0.39 0.21 0.10 0.00 0.00 175.35 176.37 1ic1 s LYS 40 N -3.93 0.42 -0.02 1.78 2.20 -1.13 -4.88 119.74 114.18 1ic1 s LYS 40 Ca 0.41 0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 56.67 1ic1 s LYS 40 Cb 0.00 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1ic1 s LYS 40 CO 0.24 -0.10 0.05 -2.00 -0.36 0.00 0.00 175.35 173.17 1ic1 s GLU 41 N 0.75 2.97 0.24 4.03 2.12 -1.26 -0.75 118.70 126.80 1ic1 s GLU 41 Ca -0.04 -0.51 0.10 0.00 0.36 0.00 0.00 54.97 54.88 1ic1 s GLU 41 Cb -0.05 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1ic1 s GLU 41 CO -0.05 0.65 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.72 1ic1 s LEU 42 N -1.56 2.95 -0.22 2.70 1.43 -0.58 -5.01 118.68 118.39 1ic1 s LEU 42 Ca 0.20 -0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1ic1 s LEU 42 Cb -0.12 -1.52 -0.08 0.00 0.03 0.00 0.00 46.19 44.50 1ic1 s LEU 42 CO 0.11 0.04 1.36 -0.11 0.23 0.00 0.00 176.35 177.98 1ic1 n LEU 43 N -0.51 1.32 -4.71 1.79 7.94 -1.26 -4.56 117.00 117.02 1ic1 n LEU 43 Ca -0.08 -1.54 -0.37 0.00 -1.11 0.00 0.00 56.01 52.91 1ic1 n LEU 43 Cb 0.58 -0.65 -0.07 0.00 0.53 0.00 0.00 43.42 43.81 1ic1 n LEU 43 CO 0.38 -0.97 0.04 -0.22 -1.11 0.00 0.00 177.39 175.51 1ic1 s LEU 44 N 0.08 4.21 1.24 -1.96 2.96 -1.26 -5.07 118.68 118.89 1ic1 s LEU 44 Ca 0.22 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.50 1ic1 s LEU 44 Cb 0.05 -2.46 0.30 0.00 0.50 0.00 0.00 46.19 44.59 1ic1 s LEU 44 CO 0.06 0.03 1.01 -2.16 -1.32 0.00 0.00 176.35 173.97 1ic1 s PRO 45 N 0.78 -1.50 -0.66 0.98 0.05 -1.26 -4.51 135.00 128.88 1ic1 s PRO 45 Ca 0.18 0.43 -0.10 0.00 0.05 0.00 0.00 61.00 61.56 1ic1 s PRO 45 Cb -0.14 -1.52 0.01 0.00 0.05 0.00 0.00 34.50 32.91 1ic1 s PRO 45 CO 0.06 -4.00 0.64 0.41 0.05 0.00 0.00 177.00 174.16 1ic1 n GLY 46 N 0.50 -1.03 3.28 0.56 0.00 -1.26 -4.62 105.19 102.62 1ic1 n GLY 46 Ca 0.07 0.78 -0.38 0.00 0.00 0.00 0.00 46.02 46.50 1ic1 n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ic1 n ASN 47 N -1.50 2.87 0.00 1.61 5.03 -1.26 -2.20 115.26 119.80 1ic1 n ASN 47 Ca -0.10 -2.70 0.00 0.00 0.87 0.00 0.00 54.58 52.65 1ic1 n ASN 47 Cb 0.59 -1.38 0.00 0.00 -1.02 0.00 0.00 39.78 37.97 1ic1 n ASN 47 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1ic1 n ASN 48 N 9.92 0.40 -3.77 6.41 4.05 -1.26 -4.96 115.26 126.04 1ic1 n ASN 48 Ca 0.48 -1.09 -0.17 0.00 0.45 0.00 0.00 54.58 54.25 1ic1 n ASN 48 Cb 0.43 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 41.27 1ic1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1ic1 s ARG 49 N -0.09 0.15 -0.02 1.20 0.52 -0.93 -1.44 118.95 118.35 1ic1 s ARG 49 Ca 0.00 0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.41 1ic1 s ARG 49 Cb 0.00 -0.45 -0.00 0.00 0.52 0.00 0.00 34.95 35.02 1ic1 s ARG 49 CO 0.00 -0.19 -0.12 0.15 0.02 0.00 0.00 175.30 175.16 1ic1 s LYS 50 N 1.30 1.05 -0.17 3.54 -0.14 -0.75 -4.78 119.74 119.78 1ic1 s LYS 50 Ca -0.06 -0.41 0.01 0.00 -1.36 0.00 0.00 55.97 54.15 1ic1 s LYS 50 Cb -0.13 -0.99 0.02 0.00 -1.68 0.00 0.00 37.83 35.05 1ic1 s LYS 50 CO -0.03 0.21 -0.19 0.08 -0.76 0.00 0.00 175.35 174.66 1ic1 s VAL 51 N -0.10 2.14 0.13 3.17 1.01 -1.26 -0.68 120.40 124.80 1ic1 s VAL 51 Ca 0.01 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1ic1 s VAL 51 Cb -0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1ic1 s VAL 51 CO 0.00 0.54 -0.04 -0.31 0.00 0.00 0.00 175.10 175.28 1ic1 s TYR 52 N 1.21 2.82 -0.34 5.22 2.02 -0.25 -1.53 117.35 126.50 1ic1 s TYR 52 Ca 0.03 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1ic1 s TYR 52 Cb -0.14 -1.43 0.09 0.00 -0.40 0.00 0.00 41.96 40.08 1ic1 s TYR 52 CO -0.10 0.48 0.07 -2.00 -1.57 0.00 0.00 175.55 172.42 1ic1 s GLU 53 N -2.52 1.97 0.42 -0.62 2.12 0.07 -0.98 118.70 119.17 1ic1 s GLU 53 Ca 0.25 -1.65 -0.21 0.00 0.36 0.00 0.00 54.97 53.72 1ic1 s GLU 53 Cb -0.10 -3.29 -0.11 0.00 0.26 0.00 0.00 34.13 30.89 1ic1 s GLU 53 CO 0.16 -0.86 0.94 -0.51 -0.54 0.00 0.00 175.26 174.46 1ic1 s LEU 54 N 1.09 3.96 0.00 2.70 1.43 0.14 -2.83 118.68 125.17 1ic1 s LEU 54 Ca 0.04 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1ic1 s LEU 54 Cb -0.21 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.51 1ic1 s LEU 54 CO -0.05 -0.35 0.00 -1.20 0.23 0.00 0.00 176.35 174.99 1ic1 n SER 55 N -0.59 2.82 -3.28 2.29 7.64 -0.40 -1.58 113.62 120.52 1ic1 n SER 55 Ca 0.07 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.67 1ic1 n SER 55 Cb 0.54 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 1ic1 n SER 55 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ic1 n ASN 56 N -2.62 4.17 -4.56 6.43 2.85 -1.26 -4.11 115.26 116.16 1ic1 n ASN 56 Ca 0.00 -3.53 -0.33 0.00 -0.11 0.00 0.00 54.58 50.61 1ic1 n ASN 56 Cb 0.49 -0.66 -0.04 0.00 1.24 0.00 0.00 39.78 40.81 1ic1 n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1ic1 s VAL 57 N -3.20 3.58 -2.42 3.44 1.01 -1.13 -4.66 120.40 117.02 1ic1 s VAL 57 Ca 0.43 -0.36 0.21 0.00 0.00 0.00 0.00 61.98 62.26 1ic1 s VAL 57 Cb 0.19 -4.33 0.29 0.00 0.00 0.00 0.00 36.38 32.53 1ic1 s VAL 57 CO -0.05 -1.25 1.27 0.00 0.00 0.00 0.00 175.10 175.06 1ic1 n GLN 58 N 8.93 2.19 -3.52 2.72 1.13 -1.26 0.12 117.38 127.69 1ic1 n GLN 58 Ca 0.34 -2.00 -0.11 0.00 -1.94 0.00 0.00 57.00 53.29 1ic1 n GLN 58 Cb 0.49 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 29.36 1ic1 n GLN 58 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1ic1 s GLU 59 N -1.56 0.84 -0.02 -1.09 2.12 -1.26 -4.92 118.70 112.81 1ic1 s GLU 59 Ca 0.30 -0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.26 1ic1 s GLU 59 Cb 0.19 0.39 -0.07 0.00 0.26 0.00 0.00 34.13 34.91 1ic1 s GLU 59 CO 0.28 -0.32 1.72 -0.51 -0.54 0.00 0.00 175.26 175.89 1ic1 s ASP 60 N -1.85 6.61 0.09 -1.70 1.11 -1.26 -4.62 116.67 115.06 1ic1 s ASP 60 Ca -0.00 2.36 0.01 0.00 0.18 0.00 0.00 52.55 55.10 1ic1 s ASP 60 Cb -0.01 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1ic1 s ASP 60 CO -0.03 -0.95 -0.06 -0.55 1.18 0.00 0.00 175.17 174.76 1ic1 s SER 61 N 3.47 1.06 -0.51 0.27 0.15 -0.75 -5.01 113.70 112.38 1ic1 s SER 61 Ca 0.77 -1.00 0.03 0.00 0.70 0.00 0.00 55.95 56.45 1ic1 s SER 61 Cb -0.36 0.11 0.15 0.00 -1.71 0.00 0.00 66.02 64.20 1ic1 s SER 61 CO 0.33 -0.48 0.32 -1.10 1.20 0.00 0.00 173.24 173.51 1ic1 s GLN 62 N -3.83 1.58 0.51 5.44 1.11 -1.26 -0.54 119.66 122.68 1ic1 s GLN 62 Ca 0.11 -2.42 -0.23 0.00 0.01 0.00 0.00 55.36 52.83 1ic1 s GLN 62 Cb 0.06 -2.55 -0.06 0.00 -1.01 0.00 0.00 33.01 29.45 1ic1 s GLN 62 CO -0.05 -1.23 1.37 -2.14 0.01 0.00 0.00 175.29 173.25 1ic1 s PRO 63 N -0.22 3.33 -0.12 2.91 0.02 -1.07 -4.67 135.00 135.19 1ic1 s PRO 63 Ca 0.22 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 1ic1 s PRO 63 Cb -0.15 -2.38 0.03 0.00 0.02 0.00 0.00 34.50 32.02 1ic1 s PRO 63 CO -0.07 -1.05 -0.03 1.41 -0.33 0.00 0.00 177.00 176.93 1ic1 s MET 64 N -2.76 1.07 0.29 5.54 1.75 -1.07 -0.09 119.30 124.03 1ic1 s MET 64 Ca 0.68 -0.18 -0.29 0.00 -1.25 0.00 0.00 55.69 54.65 1ic1 s MET 64 Cb -0.41 -1.49 -0.09 0.00 2.84 0.00 0.00 34.83 35.68 1ic1 s MET 64 CO 0.49 -0.35 1.02 0.00 -0.65 0.00 0.00 175.02 175.54 1ic1 s TYR 66 N -1.28 0.49 -0.17 0.00 -0.85 0.34 -0.87 117.35 115.01 1ic1 s TYR 66 Ca 0.46 -0.09 0.01 0.00 -0.52 0.00 0.00 57.07 56.92 1ic1 s TYR 66 Cb -0.27 -0.47 0.03 0.00 0.38 0.00 0.00 41.96 41.63 1ic1 s TYR 66 CO 0.34 -0.12 -0.12 -1.54 -1.52 0.00 0.00 175.55 172.59 1ic1 s SER 67 N 0.72 2.99 -0.54 -0.18 1.04 -0.88 -0.84 113.70 116.01 1ic1 s SER 67 Ca -0.08 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 55.47 1ic1 s SER 67 Cb -0.11 -1.19 0.05 0.00 0.10 0.00 0.00 66.02 64.87 1ic1 s SER 67 CO -0.01 -0.10 0.79 0.21 0.98 0.00 0.00 173.24 175.12 1ic1 s ASN 68 N 1.46 6.27 -0.38 7.02 3.84 0.14 -3.15 114.94 130.14 1ic1 s ASN 68 Ca 0.02 -0.67 -0.01 0.00 0.21 0.00 0.00 52.86 52.42 1ic1 s ASN 68 Cb -0.14 -2.37 0.10 0.00 -0.55 0.00 0.00 41.25 38.29 1ic1 s ASN 68 CO -0.10 -1.08 0.14 0.00 -2.79 0.00 0.00 177.10 173.27 1ic1 n PRO 70 N 4.51 0.00 -3.35 0.00 -0.01 -1.26 -4.07 135.00 130.83 1ic1 n PRO 70 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.05 1ic1 n PRO 70 Cb 0.42 0.00 -0.09 0.00 -0.01 0.00 0.00 33.50 33.82 1ic1 n PRO 70 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 1ic1 s ASP 71 N -3.61 6.19 0.00 2.55 -1.08 -1.26 -4.52 116.67 114.95 1ic1 s ASP 71 Ca 0.00 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 1ic1 s ASP 71 Cb 0.00 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1ic1 s ASP 71 CO 0.00 -0.49 0.00 0.61 0.52 0.00 0.00 175.17 175.81 1ic1 n GLY 72 N 5.04 0.57 0.00 2.66 0.00 -1.26 -5.17 105.19 107.04 1ic1 n GLY 72 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1ic1 n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ic1 n GLN 73 N 0.00 -0.03 -3.61 1.61 7.27 -1.26 -4.81 117.38 116.55 1ic1 n GLN 73 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1ic1 n GLN 73 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1ic1 n GLN 73 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1ic1 s SER 74 N -4.00 -0.19 0.08 1.69 1.04 -1.19 -4.87 113.70 106.27 1ic1 s SER 74 Ca 0.00 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1ic1 s SER 74 Cb 0.00 0.16 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ic1 s SER 74 CO 0.00 -0.20 0.09 0.35 0.98 0.00 0.00 173.24 174.46 1ic1 n THR 75 N 0.51 0.00 -3.22 2.02 -2.24 -1.26 -2.07 114.28 108.03 1ic1 n THR 75 Ca -0.04 -0.55 0.04 0.00 -2.27 0.00 0.00 64.05 61.22 1ic1 n THR 75 Cb 0.58 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1ic1 n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ic1 s ALA 76 N -2.19 -3.19 0.31 6.98 0.00 -0.05 -4.62 121.76 119.00 1ic1 s ALA 76 Ca 0.09 1.65 -0.07 0.00 0.00 0.00 0.00 51.96 53.63 1ic1 s ALA 76 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.72 1ic1 s ALA 76 CO 0.06 -1.26 0.62 0.15 0.00 0.00 0.00 175.76 175.33 1ic1 s LYS 77 N 2.71 3.71 0.06 0.00 1.02 -1.26 -1.40 119.74 124.59 1ic1 s LYS 77 Ca -0.01 0.20 0.09 0.00 0.02 0.00 0.00 55.97 56.27 1ic1 s LYS 77 Cb -0.08 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1ic1 s LYS 77 CO -0.14 0.16 -0.25 -0.08 -0.92 0.00 0.00 175.35 174.12 1ic1 s THR 78 N -2.12 2.05 -0.41 2.17 -1.32 0.88 -4.89 115.64 111.99 1ic1 s THR 78 Ca 0.47 -1.43 -0.13 0.00 -1.21 0.00 0.00 61.69 59.39 1ic1 s THR 78 Cb -0.11 -1.77 0.04 0.00 -1.51 0.00 0.00 72.50 69.15 1ic1 s THR 78 CO 0.28 0.26 0.28 -0.36 -2.21 0.00 0.00 174.62 172.88 1ic1 s PHE 79 N -0.87 3.26 -0.32 9.09 0.08 0.81 -2.59 117.98 127.43 1ic1 s PHE 79 Ca 0.11 -0.93 -0.12 0.00 0.12 0.00 0.00 56.93 56.11 1ic1 s PHE 79 Cb -0.10 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.61 1ic1 s PHE 79 CO 0.03 -0.70 0.22 -0.51 -0.10 0.00 0.00 175.22 174.16 1ic1 s LEU 80 N 1.59 4.35 -0.25 -0.37 1.43 0.30 0.38 118.68 126.11 1ic1 s LEU 80 Ca 0.03 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1ic1 s LEU 80 Cb -0.21 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1ic1 s LEU 80 CO 0.07 -0.18 0.07 -0.89 0.23 0.00 0.00 176.35 175.65 1ic1 s THR 81 N 1.72 4.32 -0.17 5.49 2.01 0.16 -1.82 115.64 127.35 1ic1 s THR 81 Ca 0.06 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 1ic1 s THR 81 Cb -0.17 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1ic1 s THR 81 CO 0.10 0.32 0.33 -0.69 -0.69 0.00 0.00 174.62 173.99 1ic1 s VAL 82 N 1.61 5.27 0.06 3.82 1.01 -1.25 -0.20 120.40 130.72 1ic1 s VAL 82 Ca 0.06 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.69 1ic1 s VAL 82 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1ic1 s VAL 82 CO 0.04 0.35 -0.08 -0.72 0.00 0.00 0.00 175.10 174.68 1ic1 s TYR 83 N 0.73 2.82 -0.30 5.22 1.13 0.15 -3.99 117.35 123.12 1ic1 s TYR 83 Ca 0.17 -0.10 -0.16 0.00 -1.41 0.00 0.00 57.07 55.57 1ic1 s TYR 83 Cb -0.14 -1.52 0.16 0.00 -1.10 0.00 0.00 41.96 39.37 1ic1 s TYR 83 CO 0.05 0.40 1.02 1.67 -2.51 0.00 0.00 175.55 176.18 1ic1 s TRP 84 N -1.12 -0.55 0.14 -3.49 1.48 0.51 -2.54 118.94 113.38 1ic1 s TRP 84 Ca 0.20 1.03 -0.31 0.00 -1.06 0.00 0.00 56.10 55.95 1ic1 s TRP 84 Cb -0.11 0.33 -0.10 0.00 -1.16 0.00 0.00 33.47 32.43 1ic1 s TRP 84 CO 0.11 -0.27 1.62 -0.08 -4.06 0.00 0.00 176.95 174.27 1ic1 s THR 85 N 1.82 2.65 0.09 0.66 -1.32 -1.26 -1.20 115.64 117.07 1ic1 s THR 85 Ca -0.06 0.39 -0.22 0.00 -1.21 0.00 0.00 61.69 60.59 1ic1 s THR 85 Cb -0.04 -3.25 -0.12 0.00 -1.51 0.00 0.00 72.50 67.57 1ic1 s THR 85 CO -0.16 0.02 0.49 -0.81 -2.21 0.00 0.00 174.62 171.95 1ic1 n PRO 86 N 4.45 0.00 -0.06 7.08 -0.04 -1.22 -4.87 135.00 140.35 1ic1 n PRO 86 Ca 0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1ic1 n PRO 86 Cb 0.39 -0.81 0.24 0.00 -0.04 0.00 0.00 33.50 33.28 1ic1 n PRO 86 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ic1 h GLU 87 N 1.17 0.66 -2.48 0.54 4.57 -0.57 -3.44 114.58 115.02 1ic1 h GLU 87 Ca -0.25 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 57.70 1ic1 h GLU 87 Cb 0.99 -0.09 -0.25 0.00 -0.16 0.00 0.00 28.75 29.23 1ic1 h GLU 87 CO 0.41 0.66 -0.22 0.50 -1.18 0.00 0.00 179.01 179.17 1ic1 s ARG 88 N -5.03 0.47 -0.29 1.92 3.52 -1.19 -5.02 118.95 113.34 1ic1 s ARG 88 Ca -0.08 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 1ic1 s ARG 88 Cb 0.15 0.03 0.09 0.00 -1.56 0.00 0.00 34.95 33.66 1ic1 s ARG 88 CO 0.78 -0.16 0.05 0.14 -0.81 0.00 0.00 175.30 175.31 1ic1 s VAL 89 N 1.50 1.21 0.07 7.11 -7.23 -1.26 -1.21 120.40 120.59 1ic1 s VAL 89 Ca -0.09 -1.44 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 1ic1 s VAL 89 Cb -0.08 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.06 1ic1 s VAL 89 CO -0.15 -0.50 0.20 -1.61 -0.31 0.00 0.00 175.10 172.73 1ic1 s GLU 90 N 1.47 0.78 0.25 4.82 8.01 -0.94 -3.45 118.70 129.64 1ic1 s GLU 90 Ca 0.06 -0.80 -0.18 0.00 0.01 0.00 0.00 54.97 54.06 1ic1 s GLU 90 Cb -0.18 0.32 -0.08 0.00 -4.31 0.00 0.00 34.13 29.88 1ic1 s GLU 90 CO -0.17 -0.24 0.72 -0.51 0.01 0.00 0.00 175.26 175.07 1ic1 s LEU 91 N -2.50 4.25 0.47 1.80 1.43 -1.26 -0.36 118.68 122.52 1ic1 s LEU 91 Ca 0.00 1.35 -0.23 0.00 -1.03 0.00 0.00 54.13 54.22 1ic1 s LEU 91 Cb 0.02 -3.72 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 1ic1 s LEU 91 CO -0.08 -0.04 1.17 0.00 0.23 0.00 0.00 176.35 177.63 1ic1 n ALA 92 N 0.38 0.88 -1.75 4.21 0.00 0.04 -4.87 120.51 119.40 1ic1 n ALA 92 Ca -0.01 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 1ic1 n ALA 92 Cb 0.52 -2.21 0.03 0.00 0.00 0.00 0.00 19.45 17.79 1ic1 n ALA 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ic1 n PRO 93 N -0.29 2.03 -3.73 0.00 -0.04 -1.26 -4.89 135.00 126.81 1ic1 n PRO 93 Ca 0.09 0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1ic1 n PRO 93 Cb 0.42 -2.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.18 1ic1 n PRO 93 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ic1 s LEU 94 N -2.97 0.65 -0.03 1.53 2.96 -1.26 -5.13 118.68 114.43 1ic1 s LEU 94 Ca 0.65 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.55 1ic1 s LEU 94 Cb -0.44 1.39 -0.04 0.00 0.50 0.00 0.00 46.19 47.61 1ic1 s LEU 94 CO 0.54 -0.39 1.20 -2.16 -1.32 0.00 0.00 176.35 174.21 1ic1 s PRO 95 N -0.98 4.37 0.31 0.98 0.04 -1.26 -4.89 135.00 133.57 1ic1 s PRO 95 Ca -0.10 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.70 1ic1 s PRO 95 Cb -0.04 -3.51 0.80 0.00 0.04 0.00 0.00 34.50 31.79 1ic1 s PRO 95 CO 0.04 -0.40 1.75 1.03 0.04 0.00 0.00 177.00 179.46 1ic1 h SER 96 N 7.31 0.70 -3.11 6.66 0.87 -1.93 -3.39 113.55 120.65 1ic1 h SER 96 Ca -0.36 0.12 -0.56 0.00 -1.23 0.00 0.00 61.79 59.76 1ic1 h SER 96 Cb 1.17 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.10 1ic1 h SER 96 CO 0.86 0.17 0.71 0.26 -0.53 0.00 0.00 176.83 178.31 1ic1 s TRP 97 N -5.82 3.28 0.00 2.24 0.52 -1.25 0.08 118.94 117.99 1ic1 s TRP 97 Ca -0.11 1.37 -0.00 0.00 0.02 0.00 0.00 56.10 57.38 1ic1 s TRP 97 Cb 0.26 -3.32 -0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1ic1 s TRP 97 CO 0.80 -0.81 -0.01 -0.65 0.02 0.00 0.00 176.95 176.30 1ic1 s GLN 98 N 2.60 0.08 0.24 4.98 -1.52 0.93 -4.93 119.66 122.03 1ic1 s GLN 98 Ca 0.50 -0.15 -0.30 0.00 -1.95 0.00 0.00 55.36 53.46 1ic1 s GLN 98 Cb -0.20 0.03 -0.10 0.00 -0.22 0.00 0.00 33.01 32.53 1ic1 s GLN 98 CO 0.15 -0.01 1.38 -2.14 -0.25 0.00 0.00 175.29 174.42 1ic1 s PRO 99 N -0.36 4.32 0.10 2.91 0.02 -1.26 -2.54 135.00 138.19 1ic1 s PRO 99 Ca -0.04 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 62.87 1ic1 s PRO 99 Cb -0.02 -3.14 -0.09 0.00 0.02 0.00 0.00 34.50 31.27 1ic1 s PRO 99 CO -0.00 -0.34 1.61 0.08 -0.33 0.00 0.00 177.00 178.02 1ic1 s VAL 100 N -0.06 2.94 0.00 3.83 1.01 -0.23 -2.92 120.40 124.98 1ic1 s VAL 100 Ca 0.57 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1ic1 s VAL 100 Cb -0.40 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1ic1 s VAL 100 CO 0.42 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1ic1 n GLY 101 N 3.89 1.68 3.77 4.51 0.00 0.78 -4.96 105.19 114.86 1ic1 n GLY 101 Ca 0.15 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1ic1 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ic1 s LYS 102 N 0.00 3.08 -1.27 1.61 -2.85 -1.15 -4.52 119.74 114.64 1ic1 s LYS 102 Ca 0.00 1.62 -0.09 0.00 -1.00 0.00 0.00 55.97 56.49 1ic1 s LYS 102 Cb 0.00 -1.97 0.17 0.00 -2.06 0.00 0.00 37.83 33.97 1ic1 s LYS 102 CO 0.00 -1.07 1.85 -1.71 0.10 0.00 0.00 175.35 174.53 1ic1 n ASN 103 N -1.69 5.12 -4.48 0.03 4.05 -1.26 -0.75 115.26 116.29 1ic1 n ASN 103 Ca 0.12 -3.12 -0.41 0.00 0.45 0.00 0.00 54.58 51.62 1ic1 n ASN 103 Cb 0.51 -1.47 0.01 0.00 1.23 0.00 0.00 39.78 40.06 1ic1 n ASN 103 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1ic1 n LEU 104 N 3.85 0.58 -3.94 1.20 7.94 0.25 -4.63 117.00 122.25 1ic1 n LEU 104 Ca 0.39 0.89 -0.30 0.00 -1.11 0.00 0.00 56.01 55.89 1ic1 n LEU 104 Cb 0.36 -1.16 -0.16 0.00 0.53 0.00 0.00 43.42 42.99 1ic1 n LEU 104 CO 0.81 -2.69 -0.43 0.28 -1.11 0.00 0.00 177.39 174.24 1ic1 s THR 105 N -1.49 1.39 0.23 1.96 -1.32 -1.26 0.22 115.64 115.36 1ic1 s THR 105 Ca 0.64 -0.91 -0.17 0.00 -1.21 0.00 0.00 61.69 60.04 1ic1 s THR 105 Cb -0.56 -1.56 -0.08 0.00 -1.51 0.00 0.00 72.50 68.79 1ic1 s THR 105 CO 0.57 0.08 0.69 -0.76 -2.21 0.00 0.00 174.62 172.98 1ic1 s LEU 106 N 1.50 4.28 -0.17 9.08 1.43 0.33 -4.91 118.68 130.21 1ic1 s LEU 106 Ca -0.02 1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1ic1 s LEU 106 Cb -0.17 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.50 1ic1 s LEU 106 CO -0.08 -0.00 0.16 -0.60 0.23 0.00 0.00 176.35 176.06 1ic1 s ARG 107 N -2.19 0.11 -0.16 1.70 3.52 -1.26 -1.57 118.95 119.10 1ic1 s ARG 107 Ca 0.44 0.16 -0.16 0.00 -0.13 0.00 0.00 55.73 56.04 1ic1 s ARG 107 Cb -0.15 -1.28 -0.04 0.00 -1.56 0.00 0.00 34.95 31.92 1ic1 s ARG 107 CO 0.20 -0.60 0.37 0.00 -0.81 0.00 0.00 175.30 174.46 1ic1 s GLN 109 N 0.76 3.44 -0.11 0.00 -0.21 0.51 -1.44 119.66 122.61 1ic1 s GLN 109 Ca 0.20 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 54.97 1ic1 s GLN 109 Cb -0.14 -2.96 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 1ic1 s GLN 109 CO 0.07 -0.08 -0.14 0.08 -2.12 0.00 0.00 175.29 173.10 1ic1 s VAL 110 N 1.18 3.01 -0.12 1.09 1.01 0.11 -2.21 120.40 124.48 1ic1 s VAL 110 Ca 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1ic1 s VAL 110 Cb -0.14 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1ic1 s VAL 110 CO -0.01 0.54 -0.16 -1.83 0.00 0.00 0.00 175.10 173.64 1ic1 s GLU 111 N 0.17 2.32 -0.35 2.72 -1.05 -0.35 -0.64 118.70 121.52 1ic1 s GLU 111 Ca -0.08 -0.59 -0.07 0.00 -0.15 0.00 0.00 54.97 54.08 1ic1 s GLU 111 Cb -0.15 -2.00 0.01 0.00 -0.44 0.00 0.00 34.13 31.55 1ic1 s GLU 111 CO 0.05 -0.10 0.26 0.41 0.95 0.00 0.00 175.26 176.82 1ic1 n GLY 112 N 4.34 -2.87 3.25 -3.83 0.00 -1.26 -0.82 105.19 104.00 1ic1 n GLY 112 Ca -0.19 0.79 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 1ic1 n GLY 112 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ic1 s GLY 113 N -2.00 1.12 -0.15 -0.02 0.00 -1.26 -2.33 107.32 102.69 1ic1 s GLY 113 Ca 0.11 -1.19 -0.27 0.00 0.00 0.00 0.00 44.72 43.37 1ic1 s GLY 113 CO 0.76 -1.21 0.66 0.00 0.00 0.00 0.00 173.10 173.31 1ic1 s ALA 114 N -1.33 -1.67 -0.13 3.20 0.00 -0.34 -4.09 121.76 117.39 1ic1 s ALA 114 Ca 0.05 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1ic1 s ALA 114 Cb -0.09 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1ic1 s ALA 114 CO 0.04 -0.34 1.14 -1.25 0.00 0.00 0.00 175.76 175.35 1ic1 s PRO 115 N -0.46 4.32 0.63 0.00 0.04 -1.26 -0.36 135.00 137.91 1ic1 s PRO 115 Ca -0.06 1.54 0.25 0.00 0.04 0.00 0.00 61.00 62.78 1ic1 s PRO 115 Cb -0.03 -3.63 1.31 0.00 0.04 0.00 0.00 34.50 32.20 1ic1 s PRO 115 CO 0.05 -0.53 1.74 0.00 0.04 0.00 0.00 177.00 178.31 1ic1 h ARG 116 N 7.57 0.00 -0.04 4.56 2.47 -1.90 0.10 114.38 127.14 1ic1 h ARG 116 Ca -0.28 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.37 1ic1 h ARG 116 Cb 1.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 1ic1 h ARG 116 CO 0.92 0.00 -0.28 0.00 0.56 0.00 0.00 179.97 181.17 1ic1 h ALA 117 N 1.14 1.47 -0.69 0.04 0.00 -1.95 -2.61 119.26 116.66 1ic1 h ALA 117 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ic1 h ALA 117 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ic1 h ALA 117 CO -0.00 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1ic1 n ASN 118 N -4.19 3.84 -4.59 0.00 4.13 0.35 -4.92 115.26 109.89 1ic1 n ASN 118 Ca -0.02 -2.00 -0.38 0.00 1.68 0.00 0.00 54.58 53.86 1ic1 n ASN 118 Cb 0.34 -0.46 -0.11 0.00 -1.54 0.00 0.00 39.78 38.01 1ic1 n ASN 118 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ic1 s LEU 119 N -1.00 4.02 -0.07 3.41 2.96 -0.98 -2.16 118.68 124.86 1ic1 s LEU 119 Ca 0.46 -0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1ic1 s LEU 119 Cb 0.24 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1ic1 s LEU 119 CO 0.31 -0.05 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.29 1ic1 s THR 120 N 1.75 3.30 -0.12 3.68 2.01 0.03 -1.18 115.64 125.11 1ic1 s THR 120 Ca 0.07 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1ic1 s THR 120 Cb -0.16 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1ic1 s THR 120 CO 0.11 0.59 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.86 1ic1 s VAL 121 N -0.63 3.58 -0.06 3.82 1.01 0.21 -0.08 120.40 128.24 1ic1 s VAL 121 Ca 0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1ic1 s VAL 121 Cb -0.11 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1ic1 s VAL 121 CO 0.01 0.54 0.02 0.54 0.00 0.00 0.00 175.10 176.22 1ic1 s VAL 122 N -0.06 0.20 0.14 2.92 0.11 0.21 -1.16 120.40 122.77 1ic1 s VAL 122 Ca -0.00 0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 58.98 1ic1 s VAL 122 Cb -0.13 -0.41 -0.07 0.00 -1.53 0.00 0.00 36.38 34.23 1ic1 s VAL 122 CO 0.03 0.21 0.87 -0.76 -3.33 0.00 0.00 175.10 172.13 1ic1 s LEU 123 N 2.04 4.55 0.33 2.54 1.43 -0.61 -0.42 118.68 128.55 1ic1 s LEU 123 Ca 0.05 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1ic1 s LEU 123 Cb -0.12 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1ic1 s LEU 123 CO -0.05 0.07 0.16 -0.76 0.23 0.00 0.00 176.35 176.00 1ic1 s LEU 124 N -0.57 1.79 -0.27 1.79 1.43 0.52 -0.02 118.68 123.35 1ic1 s LEU 124 Ca 0.41 -1.60 -0.04 0.00 -1.03 0.00 0.00 54.13 51.88 1ic1 s LEU 124 Cb -0.23 0.12 0.09 0.00 0.03 0.00 0.00 46.19 46.19 1ic1 s LEU 124 CO 0.28 -0.90 0.12 -0.60 0.23 0.00 0.00 176.35 175.48 1ic1 s ARG 125 N -3.76 0.24 6.28 1.70 3.52 0.59 -2.62 118.95 124.90 1ic1 s ARG 125 Ca 0.33 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1ic1 s ARG 125 Cb 0.04 -1.40 0.00 0.00 -1.56 0.00 0.00 34.95 32.03 1ic1 s ARG 125 CO 0.18 -0.94 0.00 0.41 -0.81 0.00 0.00 175.30 174.13 1ic1 n GLY 126 N 5.20 2.75 1.83 8.12 0.00 -0.40 -0.20 105.19 122.50 1ic1 n GLY 126 Ca -0.06 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.60 1ic1 n GLY 126 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ic1 n GLU 127 N 13.69 4.12 -3.71 1.61 4.07 -1.26 -4.76 120.64 134.40 1ic1 n GLU 127 Ca 0.00 -2.84 -0.38 0.00 -0.06 0.00 0.00 57.16 53.88 1ic1 n GLU 127 Cb 0.00 -2.18 -0.12 0.00 -0.06 0.00 0.00 31.44 29.08 1ic1 n GLU 127 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1ic1 s LYS 128 N -2.67 3.33 0.20 5.31 2.20 0.72 -5.07 119.74 123.76 1ic1 s LYS 128 Ca 0.50 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 1ic1 s LYS 128 Cb 0.39 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 1ic1 s LYS 128 CO 0.14 -0.37 1.34 -1.21 -0.36 0.00 0.00 175.35 174.88 1ic1 s GLU 129 N 1.57 4.36 -0.13 4.03 2.02 -1.26 -0.30 118.70 129.00 1ic1 s GLU 129 Ca 0.04 2.10 -0.14 0.00 0.02 0.00 0.00 54.97 57.00 1ic1 s GLU 129 Cb -0.17 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 1ic1 s GLU 129 CO 0.04 -0.29 -0.26 1.28 0.02 0.00 0.00 175.26 176.05 1ic1 n LEU 130 N 2.63 1.56 -4.31 1.80 4.32 0.97 -4.90 117.00 119.05 1ic1 n LEU 130 Ca 0.06 0.26 -0.23 0.00 -0.02 0.00 0.00 56.01 56.09 1ic1 n LEU 130 Cb 0.42 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 41.45 1ic1 n LEU 130 CO 0.58 -0.35 -0.50 -0.75 -1.22 0.00 0.00 177.39 175.15 1ic1 s LYS 131 N -2.53 1.21 -0.33 3.23 2.20 -1.12 -4.99 119.74 117.41 1ic1 s LYS 131 Ca -0.22 -1.30 0.04 0.00 -0.36 0.00 0.00 55.97 54.13 1ic1 s LYS 131 Cb 0.03 -1.37 0.17 0.00 -1.51 0.00 0.00 37.83 35.15 1ic1 s LYS 131 CO 0.32 0.30 0.45 0.50 -0.36 0.00 0.00 175.35 176.56 1ic1 s ARG 132 N -2.39 0.56 0.23 4.03 3.52 -1.26 -1.57 118.95 122.07 1ic1 s ARG 132 Ca 0.12 -0.18 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 1ic1 s ARG 132 Cb -0.08 -0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.96 1ic1 s ARG 132 CO 0.06 -1.11 -0.07 -1.21 -0.81 0.00 0.00 175.30 172.15 1ic1 s GLU 133 N 2.14 1.38 0.61 5.12 2.02 -0.31 -4.94 118.70 124.73 1ic1 s GLU 133 Ca 0.13 -1.67 -0.16 0.00 0.02 0.00 0.00 54.97 53.29 1ic1 s GLU 133 Cb -0.11 -0.96 -0.02 0.00 0.10 0.00 0.00 34.13 33.13 1ic1 s GLU 133 CO -0.19 0.05 1.10 -1.25 0.02 0.00 0.00 175.26 175.00 1ic1 s PRO 134 N -3.74 3.07 -0.15 0.39 0.04 -1.26 0.64 135.00 133.99 1ic1 s PRO 134 Ca 0.26 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1ic1 s PRO 134 Cb 0.03 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1ic1 s PRO 134 CO 0.08 -1.04 1.08 0.00 0.04 0.00 0.00 177.00 177.17 1ic1 s ALA 135 N -2.22 3.56 0.01 8.56 0.00 -0.32 -4.69 121.76 126.66 1ic1 s ALA 135 Ca 0.68 0.35 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1ic1 s ALA 135 Cb -0.20 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 1ic1 s ALA 135 CO 0.36 -0.87 -0.05 0.08 0.00 0.00 0.00 175.76 175.28 1ic1 s VAL 136 N 2.70 0.33 0.00 0.00 1.01 -1.26 -4.83 120.40 118.34 1ic1 s VAL 136 Ca 0.49 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ic1 s VAL 136 Cb -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1ic1 s VAL 136 CO 0.14 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1ic1 n GLY 137 N 2.54 -1.35 3.02 4.51 0.00 -1.26 -3.93 105.19 108.73 1ic1 n GLY 137 Ca -0.16 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1ic1 n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ic1 s GLU 138 N -1.16 0.33 0.36 1.61 2.56 -1.26 -1.96 118.70 119.18 1ic1 s GLU 138 Ca 0.00 0.69 -0.26 0.00 0.00 0.00 0.00 54.97 55.40 1ic1 s GLU 138 Cb 0.00 -0.22 -0.09 0.00 2.00 0.00 0.00 34.13 35.82 1ic1 s GLU 138 CO 0.00 -0.51 1.08 -2.14 -0.56 0.00 0.00 175.26 173.14 1ic1 s PRO 139 N 2.56 4.32 0.32 4.30 0.02 -1.26 -5.10 135.00 140.16 1ic1 s PRO 139 Ca 0.08 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.48 1ic1 s PRO 139 Cb -0.14 -2.80 -0.10 0.00 0.02 0.00 0.00 34.50 31.48 1ic1 s PRO 139 CO -0.14 -0.04 1.17 0.00 -0.33 0.00 0.00 177.00 177.66 1ic1 s ALA 140 N -1.44 3.38 0.31 -1.55 0.00 0.18 -4.81 121.76 117.84 1ic1 s ALA 140 Ca 0.53 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.54 1ic1 s ALA 140 Cb -0.27 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 1ic1 s ALA 140 CO 0.34 -0.38 0.05 -1.21 0.00 0.00 0.00 175.76 174.57 1ic1 s GLU 141 N -1.75 1.60 -0.23 0.00 2.02 -1.25 0.09 118.70 119.18 1ic1 s GLU 141 Ca 0.49 -1.88 -0.17 0.00 0.02 0.00 0.00 54.97 53.43 1ic1 s GLU 141 Cb -0.34 -0.81 0.07 0.00 0.10 0.00 0.00 34.13 33.15 1ic1 s GLU 141 CO 0.44 -0.18 0.59 0.54 0.02 0.00 0.00 175.26 176.67 1ic1 s VAL 142 N -3.33 -0.01 0.13 2.63 0.11 -0.52 -4.81 120.40 114.61 1ic1 s VAL 142 Ca 0.36 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.49 1ic1 s VAL 142 Cb 0.08 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1ic1 s VAL 142 CO 0.15 0.01 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.88 1ic1 s THR 143 N 1.00 1.48 0.04 5.04 2.01 -1.26 -0.89 115.64 123.06 1ic1 s THR 143 Ca -0.05 -1.74 -0.22 0.00 0.31 0.00 0.00 61.69 59.99 1ic1 s THR 143 Cb -0.05 -1.59 0.05 0.00 0.01 0.00 0.00 72.50 70.91 1ic1 s THR 143 CO -0.09 -0.35 0.51 0.28 -0.69 0.00 0.00 174.62 174.28 1ic1 s THR 144 N -2.00 0.03 -0.13 -0.82 -1.32 -0.61 -4.99 115.64 105.80 1ic1 s THR 144 Ca 0.10 -0.26 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 1ic1 s THR 144 Cb -0.06 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 1ic1 s THR 144 CO 0.04 -0.14 -0.16 0.42 -2.21 0.00 0.00 174.62 172.57 1ic1 s THR 145 N -2.42 2.74 -0.18 5.08 -4.23 -1.26 0.12 115.64 115.49 1ic1 s THR 145 Ca -0.05 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.64 1ic1 s THR 145 Cb -0.01 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1ic1 s THR 145 CO -0.02 0.53 0.00 -0.69 -0.54 0.00 0.00 174.62 173.90 1ic1 s VAL 146 N 0.51 4.12 -0.47 2.29 1.01 0.58 -4.90 120.40 123.55 1ic1 s VAL 146 Ca -0.10 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 1ic1 s VAL 146 Cb -0.16 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1ic1 s VAL 146 CO 0.04 0.45 1.08 -0.22 0.00 0.00 0.00 175.10 176.46 1ic1 s LEU 147 N 0.65 3.74 0.27 3.92 2.96 -1.26 0.86 118.68 129.82 1ic1 s LEU 147 Ca -0.00 0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 54.00 1ic1 s LEU 147 Cb -0.14 -3.46 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1ic1 s LEU 147 CO 0.02 -1.19 1.57 -0.69 -1.32 0.00 0.00 176.35 174.74 1ic1 s VAL 148 N 4.26 2.23 0.26 1.68 1.01 0.07 -4.88 120.40 125.03 1ic1 s VAL 148 Ca 0.45 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.73 1ic1 s VAL 148 Cb -0.08 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1ic1 s VAL 148 CO 0.30 0.03 -0.17 -0.13 0.00 0.00 0.00 175.10 175.13 1ic1 s ARG 149 N -0.23 1.56 0.45 2.72 0.52 -1.26 -0.15 118.95 122.56 1ic1 s ARG 149 Ca 0.64 -1.72 0.18 0.00 -0.52 0.00 0.00 55.73 54.31 1ic1 s ARG 149 Cb -0.46 -1.53 1.06 0.00 0.52 0.00 0.00 34.95 34.54 1ic1 s ARG 149 CO 0.44 0.26 1.97 0.00 0.02 0.00 0.00 175.30 177.99 1ic1 h ARG 150 N 2.36 0.00 -0.31 3.54 3.08 -1.96 -0.77 114.38 120.31 1ic1 h ARG 150 Ca -0.39 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.57 1ic1 h ARG 150 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1ic1 h ARG 150 CO 0.61 0.22 -0.16 0.22 -1.07 0.00 0.00 179.97 179.79 1ic1 h ASP 151 N 0.00 0.55 0.06 7.04 1.82 -2.00 -2.88 116.42 121.01 1ic1 h ASP 151 Ca -0.00 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1ic1 h ASP 151 Cb 0.43 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1ic1 h ASP 151 CO 0.03 0.73 0.00 0.45 -1.61 0.00 0.00 179.24 178.84 1ic1 h HIS 152 N 0.51 0.00 -2.06 0.28 3.86 -1.53 -3.44 115.15 112.76 1ic1 h HIS 152 Ca 0.09 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.68 1ic1 h HIS 152 Cb 0.57 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.08 1ic1 h HIS 152 CO 0.02 0.00 0.87 1.58 0.86 0.00 0.00 177.93 181.26 1ic1 n HIS 153 N -2.92 2.18 0.00 2.45 -0.00 -1.09 0.47 115.22 116.31 1ic1 n HIS 153 Ca -0.02 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 1ic1 n HIS 153 Cb 0.08 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.51 1ic1 n HIS 153 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ic1 n GLY 154 N 3.70 3.38 3.77 1.57 0.00 0.27 -4.94 105.19 112.95 1ic1 n GLY 154 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ic1 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ic1 s ALA 155 N -2.75 3.57 -0.03 4.61 0.00 0.18 -4.77 121.76 122.57 1ic1 s ALA 155 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1ic1 s ALA 155 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1ic1 s ALA 155 CO 0.00 -0.85 0.01 0.54 0.00 0.00 0.00 175.76 175.45 1ic1 s ASN 156 N -0.11 0.61 0.30 0.00 6.03 -1.26 0.21 114.94 120.72 1ic1 s ASN 156 Ca 0.54 -0.02 0.04 0.00 -1.03 0.00 0.00 52.86 52.39 1ic1 s ASN 156 Cb -0.43 -0.24 -0.02 0.00 -3.03 0.00 0.00 41.25 37.53 1ic1 s ASN 156 CO 0.55 -0.12 0.45 -0.36 -2.03 0.00 0.00 177.10 175.59 1ic1 s PHE 157 N 1.22 3.34 0.24 1.54 0.40 0.13 -1.28 117.98 123.57 1ic1 s PHE 157 Ca -0.07 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 1ic1 s PHE 157 Cb -0.13 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 1ic1 s PHE 157 CO -0.02 0.18 0.46 -1.54 0.70 0.00 0.00 175.22 174.99 1ic1 s SER 158 N -4.07 -0.08 -0.05 1.36 1.04 -1.08 -0.09 113.70 110.74 1ic1 s SER 158 Ca 0.39 -0.96 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1ic1 s SER 158 Cb -0.09 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 1ic1 s SER 158 CO 0.32 -1.12 -0.24 0.00 0.98 0.00 0.00 173.24 173.18 1ic1 s ARG 160 N -0.16 0.64 0.03 0.00 3.52 0.44 -0.71 118.95 122.71 1ic1 s ARG 160 Ca -0.03 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.03 1ic1 s ARG 160 Cb -0.13 -0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 32.68 1ic1 s ARG 160 CO 0.03 0.13 -0.15 0.95 -0.81 0.00 0.00 175.30 175.45 1ic1 s THR 161 N -0.86 3.01 -0.21 4.11 -4.23 -0.41 0.66 115.64 117.70 1ic1 s THR 161 Ca -0.03 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1ic1 s THR 161 Cb -0.07 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.54 1ic1 s THR 161 CO 0.01 0.35 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.75 1ic1 s GLU 162 N -1.44 1.74 -0.77 3.99 2.02 0.89 -1.66 118.70 123.47 1ic1 s GLU 162 Ca 0.15 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 1ic1 s GLU 162 Cb -0.11 -2.46 0.20 0.00 0.10 0.00 0.00 34.13 31.87 1ic1 s GLU 162 CO 0.06 -0.52 0.67 -1.17 0.02 0.00 0.00 175.26 174.32 1ic1 s LEU 163 N 1.42 6.32 -0.81 1.80 2.96 0.19 -0.79 118.68 129.78 1ic1 s LEU 163 Ca -0.03 -2.74 -0.24 0.00 -0.22 0.00 0.00 54.13 50.90 1ic1 s LEU 163 Cb -0.17 -2.11 0.06 0.00 0.50 0.00 0.00 46.19 44.47 1ic1 s LEU 163 CO -0.07 -0.52 1.21 -0.62 -1.32 0.00 0.00 176.35 175.04 1ic1 s ASP 164 N 1.74 6.31 -0.25 3.68 -1.08 -0.92 0.83 116.67 126.98 1ic1 s ASP 164 Ca 0.18 -1.08 0.13 0.00 -0.52 0.00 0.00 52.55 51.26 1ic1 s ASP 164 Cb -0.13 -2.50 0.63 0.00 -1.46 0.00 0.00 42.92 39.46 1ic1 s ASP 164 CO -0.07 -1.54 1.59 0.18 0.52 0.00 0.00 175.17 175.85 1ic1 n LEU 165 N 8.38 4.85 0.01 -1.34 4.77 0.52 -4.55 117.00 129.65 1ic1 n LEU 165 Ca 0.11 -3.22 -0.13 0.00 -0.03 0.00 0.00 56.01 52.75 1ic1 n LEU 165 Cb 0.48 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1ic1 n LEU 165 CO 0.65 0.82 0.64 0.03 -1.33 0.00 0.00 177.39 178.20 1ic1 h ARG 166 N 2.14 -0.04 0.00 3.23 3.08 -1.61 1.07 114.38 122.24 1ic1 h ARG 166 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1ic1 h ARG 166 Cb 1.84 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1ic1 h ARG 166 CO 0.46 0.37 0.00 -0.35 -1.07 0.00 0.00 179.97 179.38 1ic1 n PRO 167 N -4.91 0.15 -0.40 0.04 -0.04 -1.26 -0.08 135.00 128.49 1ic1 n PRO 167 Ca -0.08 0.57 0.10 0.00 -0.04 0.00 0.00 63.50 64.04 1ic1 n PRO 167 Cb 0.23 -1.91 0.30 0.00 -0.04 0.00 0.00 33.50 32.08 1ic1 n PRO 167 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ic1 n GLN 168 N -2.22 2.82 0.00 0.54 6.02 -1.05 -4.90 117.38 118.59 1ic1 n GLN 168 Ca -0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.56 1ic1 n GLN 168 Cb 0.09 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1ic1 n GLN 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ic1 n GLY 169 N 1.40 2.33 0.00 1.08 0.00 0.88 -4.93 105.19 105.96 1ic1 n GLY 169 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ic1 n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ic1 n LEU 170 N 0.00 0.00 0.00 0.99 4.77 0.37 -4.91 117.00 118.21 1ic1 n LEU 170 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1ic1 n LEU 170 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ic1 n LEU 170 CO 0.00 0.00 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.37 1ic1 n GLU 171 N 0.00 0.92 -3.68 3.23 1.02 -1.20 -4.22 120.64 116.71 1ic1 n GLU 171 Ca 0.00 -1.34 -0.39 0.00 -0.02 0.00 0.00 57.16 55.41 1ic1 n GLU 171 Cb 0.00 0.67 -0.12 0.00 -0.02 0.00 0.00 31.44 31.97 1ic1 n GLU 171 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ic1 s LEU 172 N 0.00 4.34 -0.25 -4.62 2.96 -1.26 0.19 118.68 120.05 1ic1 s LEU 172 Ca 0.07 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 52.98 1ic1 s LEU 172 Cb 0.00 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1ic1 s LEU 172 CO 0.05 -0.30 0.21 -0.36 -1.32 0.00 0.00 176.35 174.63 1ic1 s PHE 173 N 1.52 3.29 0.27 5.38 0.08 0.24 -4.85 117.98 123.91 1ic1 s PHE 173 Ca 0.02 0.25 0.11 0.00 0.12 0.00 0.00 56.93 57.43 1ic1 s PHE 173 Cb -0.18 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.87 1ic1 s PHE 173 CO 0.05 -0.03 -0.16 -1.83 -0.10 0.00 0.00 175.22 173.15 1ic1 s GLU 174 N 1.37 1.81 -0.08 0.44 -1.05 -1.26 0.56 118.70 120.49 1ic1 s GLU 174 Ca 0.09 -1.68 -0.04 0.00 -0.15 0.00 0.00 54.97 53.19 1ic1 s GLU 174 Cb -0.15 -1.86 0.04 0.00 -0.44 0.00 0.00 34.13 31.72 1ic1 s GLU 174 CO 0.07 0.34 0.17 -0.80 0.95 0.00 0.00 175.26 176.00 1ic1 s ASN 175 N -3.50 -0.15 -0.12 0.83 0.02 -0.66 -4.98 114.94 106.38 1ic1 s ASN 175 Ca 0.30 0.36 -0.00 0.00 -1.02 0.00 0.00 52.86 52.50 1ic1 s ASN 175 Cb -0.05 0.25 -0.02 0.00 0.02 0.00 0.00 41.25 41.45 1ic1 s ASN 175 CO 0.16 -0.15 -0.10 -0.89 0.02 0.00 0.00 177.10 176.14 1ic1 s THR 176 N 1.14 3.32 0.93 1.60 2.01 -1.26 -1.29 115.64 122.08 1ic1 s THR 176 Ca -0.09 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 1ic1 s THR 176 Cb -0.11 -2.39 0.15 0.00 0.01 0.00 0.00 72.50 70.17 1ic1 s THR 176 CO -0.06 0.54 1.16 -0.94 -0.69 0.00 0.00 174.62 174.62 1ic1 s SER 177 N 0.04 3.33 0.63 3.53 1.04 0.11 -4.98 113.70 117.41 1ic1 s SER 177 Ca -0.03 0.86 -0.17 0.00 0.48 0.00 0.00 55.95 57.09 1ic1 s SER 177 Cb -0.14 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.62 1ic1 s SER 177 CO 0.04 -2.65 1.14 0.00 0.98 0.00 0.00 173.24 172.75 1ic1 s ALA 178 N -3.34 2.48 0.03 5.32 0.00 -1.26 -4.70 121.76 120.30 1ic1 s ALA 178 Ca 0.65 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 1ic1 s ALA 178 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1ic1 s ALA 178 CO 0.53 -1.23 0.92 -1.25 0.00 0.00 0.00 175.76 174.73 1ic1 s PRO 179 N -3.77 4.58 -0.28 0.00 0.04 -1.26 -4.69 135.00 129.61 1ic1 s PRO 179 Ca 0.71 1.32 -0.24 0.00 0.04 0.00 0.00 61.00 62.83 1ic1 s PRO 179 Cb -0.24 -3.42 -0.00 0.00 0.04 0.00 0.00 34.50 30.88 1ic1 s PRO 179 CO 0.37 0.08 0.80 -0.47 0.04 0.00 0.00 177.00 177.82 1ic1 s TYR 180 N 0.55 3.25 -0.29 0.56 5.04 0.87 -4.92 117.35 122.41 1ic1 s TYR 180 Ca 0.47 0.94 -0.10 0.00 -2.44 0.00 0.00 57.07 55.95 1ic1 s TYR 180 Cb -0.21 -3.14 -0.02 0.00 0.35 0.00 0.00 41.96 38.94 1ic1 s TYR 180 CO 0.27 -0.49 0.16 -0.65 -1.34 0.00 0.00 175.55 173.50 1ic1 s GLN 181 N 2.89 3.58 -0.06 4.97 -0.21 -1.26 0.17 119.66 129.75 1ic1 s GLN 181 Ca 0.33 -0.56 -0.22 0.00 0.02 0.00 0.00 55.36 54.94 1ic1 s GLN 181 Cb -0.15 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.25 1ic1 s GLN 181 CO 0.10 -0.31 0.63 -1.17 -2.12 0.00 0.00 175.29 172.42 1ic1 s LEU 182 N 1.67 4.34 -0.18 2.90 2.96 0.13 -4.41 118.68 126.08 1ic1 s LEU 182 Ca 0.06 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 1ic1 s LEU 182 Cb -0.16 -2.97 0.03 0.00 0.50 0.00 0.00 46.19 43.59 1ic1 s LEU 182 CO 0.07 -0.03 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.82 1ic1 s GLN 183 N 0.49 2.52 0.37 1.98 -0.21 0.11 -0.56 119.66 124.37 1ic1 s GLN 183 Ca 0.33 -0.82 0.07 0.00 0.02 0.00 0.00 55.36 54.97 1ic1 s GLN 183 Cb -0.17 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 1ic1 s GLN 183 CO 0.16 -0.30 0.38 0.95 -2.12 0.00 0.00 175.29 174.37 1ic1 s THR 184 N 1.34 3.26 -0.15 -0.19 -4.23 -1.26 -0.05 115.64 114.37 1ic1 s THR 184 Ca 0.02 -1.25 -0.28 0.00 -1.18 0.00 0.00 61.69 58.99 1ic1 s THR 184 Cb -0.14 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.64 1ic1 s THR 184 CO -0.10 -0.09 0.71 0.72 -0.54 0.00 0.00 174.62 175.31 1ic1 s PHE 185 N -2.35 -0.70 0.13 3.99 -0.12 -1.05 -4.89 117.98 112.99 1ic1 s PHE 185 Ca 0.46 1.44 0.05 0.00 -0.05 0.00 0.00 56.93 58.83 1ic1 s PHE 185 Cb -0.06 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1ic1 s PHE 185 CO 0.29 -0.50 0.09 0.54 -0.05 0.00 0.00 175.22 175.58 1ic1 s VAL 186 N -0.53 4.37 -0.01 -2.49 0.11 -1.26 -1.06 120.40 119.53 1ic1 s VAL 186 Ca -0.06 -1.00 0.06 0.00 -2.93 0.00 0.00 61.98 58.05 1ic1 s VAL 186 Cb -0.02 -3.17 -0.01 0.00 -1.53 0.00 0.00 36.38 31.64 1ic1 s VAL 186 CO 0.06 -0.01 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.42 1ic1 s LEU 187 N -2.76 2.04 0.00 2.54 2.96 -1.26 -4.65 118.68 117.55 1ic1 s LEU 187 Ca 0.29 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1ic1 s LEU 187 Cb -0.11 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.63 1ic1 s LEU 187 CO 0.22 0.23 0.00 -0.81 -1.32 0.00 0.00 176.35 174.66 1ic1 n PRO 188 N 2.60 0.00 0.00 0.98 -0.04 -1.26 -5.15 135.00 132.13 1ic1 n PRO 188 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ic1 n PRO 188 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1ic1 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ic1 n ALA 189 N 0.00 0.00 0.00 0.55 0.00 -1.26 -5.19 120.51 114.61 1ic1 n ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ic1 n ALA 189 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ic1 n ALA 189 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13