#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f s SER 2 N 0.00 -0.83 0.29 1.61 0.01 -1.26 -5.05 113.70 108.48 1x1f s SER 2 Ca 0.00 1.43 0.09 0.00 1.31 0.00 0.00 55.95 58.79 1x1f s SER 2 Cb 0.00 1.37 -0.06 0.00 0.21 0.00 0.00 66.02 67.55 1x1f s SER 2 CO 0.00 -0.24 -0.13 -0.94 0.41 0.00 0.00 173.24 172.34 1x1f s SER 3 N 1.05 3.32 -0.40 2.44 1.04 -1.26 -5.12 113.70 114.78 1x1f s SER 3 Ca -0.05 -1.12 0.06 0.00 0.48 0.00 0.00 55.95 55.32 1x1f s SER 3 Cb -0.05 -0.27 0.18 0.00 0.10 0.00 0.00 66.02 65.98 1x1f s SER 3 CO -0.10 -0.15 0.67 -0.83 0.98 0.00 0.00 173.24 173.81 1x1f s GLY 4 N -3.50 -1.30 -0.11 7.32 0.00 -1.26 -5.15 107.32 103.33 1x1f s GLY 4 Ca 0.30 0.31 -0.33 0.00 0.00 0.00 0.00 44.72 45.00 1x1f s GLY 4 CO 0.14 3.73 1.36 -0.45 0.00 0.00 0.00 173.10 177.88 1x1f s SER 5 N 1.85 -0.03 0.58 1.64 0.15 -1.26 -5.16 113.70 111.47 1x1f s SER 5 Ca 0.16 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.58 1x1f s SER 5 Cb -0.03 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1x1f s SER 5 CO -0.08 -0.13 1.11 -0.44 1.20 0.00 0.00 173.24 174.90 1x1f s SER 6 N -2.78 5.58 -0.27 5.45 0.01 -1.26 -4.48 113.70 115.96 1x1f s SER 6 Ca 0.14 2.08 -0.04 0.00 1.31 0.00 0.00 55.95 59.44 1x1f s SER 6 Cb 0.05 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1x1f s SER 6 CO -0.05 -1.31 0.08 0.61 0.41 0.00 0.00 173.24 172.98 1x1f n GLY 7 N -0.15 -4.54 3.06 3.44 0.00 -1.26 -4.85 105.19 100.90 1x1f n GLY 7 Ca 0.11 0.87 -0.43 0.00 0.00 0.00 0.00 46.02 46.57 1x1f n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x1f n GLN 8 N 1.03 3.56 -3.53 1.61 6.02 -1.26 -4.84 117.38 119.98 1x1f n GLN 8 Ca -0.13 -3.66 -0.00 0.00 -0.01 0.00 0.00 57.00 53.21 1x1f n GLN 8 Cb 0.21 -2.95 -0.05 0.00 1.02 0.00 0.00 30.24 28.46 1x1f n GLN 8 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1x1f s GLU 9 N 0.69 0.30 -0.34 -1.09 -1.05 -1.26 -5.13 118.70 110.81 1x1f s GLU 9 Ca 0.40 0.61 0.03 0.00 -0.15 0.00 0.00 54.97 55.86 1x1f s GLU 9 Cb 0.05 0.22 0.16 0.00 -0.44 0.00 0.00 34.13 34.12 1x1f s GLU 9 CO 0.01 -0.08 0.42 1.03 0.95 0.00 0.00 175.26 177.59 1x1f s ARG 10 N 1.79 0.57 0.30 -4.83 3.00 -1.26 -5.14 118.95 113.38 1x1f s ARG 10 Ca -0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 55.73 55.25 1x1f s ARG 10 Cb -0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 34.95 34.44 1x1f s ARG 10 CO -0.16 -1.13 0.40 -0.48 0.00 0.00 0.00 175.30 173.94 1x1f s LEU 11 N 1.94 0.95 -0.44 2.53 0.05 -1.26 -5.10 118.68 117.35 1x1f s LEU 11 Ca 0.14 -1.38 0.06 0.00 0.05 0.00 0.00 54.13 53.00 1x1f s LEU 11 Cb -0.13 1.28 0.33 0.00 -2.05 0.00 0.00 46.19 45.62 1x1f s LEU 11 CO -0.15 -1.17 1.17 2.29 -0.55 0.00 0.00 176.35 177.94 1x1f n LYS 12 N -0.48 0.97 -1.68 1.48 2.85 -1.26 -5.11 118.16 114.92 1x1f n LYS 12 Ca 0.01 -1.81 -0.62 0.00 -1.05 0.00 0.00 58.31 54.84 1x1f n LYS 12 Cb 0.62 -0.83 -0.09 0.00 -0.65 0.00 0.00 35.03 34.09 1x1f n LYS 12 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1x1f n ILE 13 N 0.24 0.15 -3.55 0.58 2.08 -1.26 -4.90 119.36 112.69 1x1f n ILE 13 Ca 0.04 -0.04 -0.00 0.00 0.56 0.00 0.00 62.75 63.31 1x1f n ILE 13 Cb 0.72 -0.90 -0.04 0.00 -0.75 0.00 0.00 39.64 38.68 1x1f n ILE 13 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1x1f s THR 14 N 3.74 -0.97 0.00 1.39 2.01 -1.26 -5.00 115.64 115.54 1x1f s THR 14 Ca 1.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1x1f s THR 14 Cb -1.27 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1x1f s THR 14 CO 0.72 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.65 1x1f n ALA 15 N 5.42 0.00 -2.38 7.40 0.00 -1.26 -4.67 120.51 125.02 1x1f n ALA 15 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 1x1f n ALA 15 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 1x1f n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1f s LEU 16 N 0.00 2.32 -0.23 0.00 1.43 -1.26 -5.09 118.68 115.85 1x1f s LEU 16 Ca 0.00 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 1x1f s LEU 16 Cb 0.00 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1x1f s LEU 16 CO 0.00 0.28 1.31 -2.16 0.23 0.00 0.00 176.35 176.01 1x1f s PRO 17 N -1.07 4.06 0.40 1.29 0.04 -1.26 -4.88 135.00 133.58 1x1f s PRO 17 Ca 0.12 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1x1f s PRO 17 Cb -0.10 -3.84 -0.09 0.00 0.04 0.00 0.00 34.50 30.51 1x1f s PRO 17 CO 0.02 -0.93 1.35 -1.17 0.04 0.00 0.00 177.00 176.31 1x1f s LEU 18 N 4.00 4.24 -0.03 -3.56 2.96 -1.26 -3.53 118.68 121.50 1x1f s LEU 18 Ca 0.57 2.76 0.01 0.00 -0.22 0.00 0.00 54.13 57.25 1x1f s LEU 18 Cb -0.20 -3.84 -0.02 0.00 0.50 0.00 0.00 46.19 42.63 1x1f s LEU 18 CO 0.19 -0.87 -0.01 -1.22 -1.32 0.00 0.00 176.35 173.12 1x1f n TYR 19 N 0.20 0.00 -3.53 5.38 4.01 -0.62 -4.99 117.16 117.62 1x1f n TYR 19 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 1x1f n TYR 19 Cb 0.42 -0.11 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 1x1f n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1x1f s PHE 20 N -2.06 -0.52 0.00 -0.72 5.36 -1.21 -5.02 117.98 113.82 1x1f s PHE 20 Ca -0.03 0.78 -0.07 0.00 -0.96 0.00 0.00 56.93 56.65 1x1f s PHE 20 Cb 0.01 0.45 -0.00 0.00 -0.34 0.00 0.00 43.02 43.14 1x1f s PHE 20 CO 0.07 -0.54 0.12 -1.83 -1.46 0.00 0.00 175.22 171.58 1x1f s GLU 21 N -1.66 0.47 0.00 10.12 1.03 -1.26 -0.36 118.70 127.03 1x1f s GLU 21 Ca -0.05 -0.42 0.00 0.00 0.03 0.00 0.00 54.97 54.53 1x1f s GLU 21 Cb -0.00 0.19 0.00 0.00 -0.80 0.00 0.00 34.13 33.52 1x1f s GLU 21 CO 0.03 -0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.26 1x1f n GLY 22 N 1.46 3.23 3.44 -3.83 0.00 -0.96 -5.04 105.19 103.49 1x1f n GLY 22 Ca -0.23 -0.09 -0.51 0.00 0.00 0.00 0.00 46.02 45.19 1x1f n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x1f n PHE 23 N -0.56 1.59 -4.19 1.61 3.72 -1.26 -3.59 117.46 114.78 1x1f n PHE 23 Ca 0.00 0.29 -0.30 0.00 -0.05 0.00 0.00 57.45 57.39 1x1f n PHE 23 Cb 0.00 -2.52 -0.09 0.00 -0.94 0.00 0.00 39.48 35.93 1x1f n PHE 23 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1x1f s LEU 24 N 7.25 3.34 -0.20 4.37 2.96 -0.99 -4.90 118.68 130.51 1x1f s LEU 24 Ca 1.10 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.71 1x1f s LEU 24 Cb -0.88 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1x1f s LEU 24 CO 0.50 0.19 0.09 -0.76 -1.32 0.00 0.00 176.35 175.05 1x1f s LEU 25 N -2.18 3.91 -0.09 -0.68 1.43 -1.09 -2.88 118.68 117.10 1x1f s LEU 25 Ca 0.24 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1x1f s LEU 25 Cb -0.11 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1x1f s LEU 25 CO 0.16 0.15 -0.21 -0.63 0.23 0.00 0.00 176.35 176.05 1x1f s ILE 26 N 0.55 2.39 -0.03 -0.59 -1.09 -1.22 -2.46 121.20 118.75 1x1f s ILE 26 Ca 0.05 -0.92 0.10 0.00 -2.23 0.00 0.00 60.65 57.65 1x1f s ILE 26 Cb -0.12 -1.93 -0.15 0.00 -1.58 0.00 0.00 42.46 38.68 1x1f s ILE 26 CO 0.01 0.56 0.18 1.17 -1.23 0.00 0.00 174.94 175.62 1x1f n LYS 27 N 3.28 0.78 -0.07 2.79 4.81 -1.17 -3.54 118.16 125.03 1x1f n LYS 27 Ca -0.18 -0.07 0.01 0.00 -0.87 0.00 0.00 58.31 57.19 1x1f n LYS 27 Cb 0.53 -1.24 -0.00 0.00 0.02 0.00 0.00 35.03 34.33 1x1f n LYS 27 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x1f n ARG 28 N -1.96 -0.14 -0.37 1.64 1.74 -1.25 -1.33 116.66 114.99 1x1f n ARG 28 Ca -0.05 0.09 0.02 0.00 -0.77 0.00 0.00 57.85 57.15 1x1f n ARG 28 Cb 0.38 -0.17 0.09 0.00 -1.02 0.00 0.00 32.46 31.74 1x1f n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1x1f n SER 29 N -3.98 -0.50 -3.39 0.55 3.41 -1.26 -4.31 113.62 104.14 1x1f n SER 29 Ca 0.00 1.70 -0.02 0.00 -0.26 0.00 0.00 58.87 60.29 1x1f n SER 29 Cb 0.03 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 1x1f n SER 29 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x1f s GLY 30 N -3.89 -0.70 -0.03 5.00 0.00 -1.17 -5.01 107.32 101.52 1x1f s GLY 30 Ca -0.14 1.68 0.05 0.00 0.00 0.00 0.00 44.72 46.31 1x1f s GLY 30 CO 0.73 2.99 0.05 -1.72 0.00 0.00 0.00 173.10 175.15 1x1f n TYR 31 N 5.41 0.00 0.00 1.90 4.02 -0.45 -5.01 117.16 123.04 1x1f n TYR 31 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1x1f n TYR 31 Cb 0.50 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1x1f n ARG 32 N -2.01 0.00 -3.54 -0.72 3.00 -1.26 -4.82 116.66 107.31 1x1f n ARG 32 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.77 1x1f n ARG 32 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.89 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1x1f s GLU 33 N 0.00 0.51 -0.24 -0.14 2.02 -1.26 -5.12 118.70 114.47 1x1f s GLU 33 Ca 0.00 1.23 -0.42 0.00 0.02 0.00 0.00 54.97 55.80 1x1f s GLU 33 Cb 0.00 0.62 -0.19 0.00 0.10 0.00 0.00 34.13 34.66 1x1f s GLU 33 CO 0.00 -0.32 1.45 0.66 0.02 0.00 0.00 175.26 177.07 1x1f n TYR 34 N 5.43 1.48 -3.84 1.61 4.01 -1.26 -4.93 117.16 119.65 1x1f n TYR 34 Ca -0.09 0.93 -0.23 0.00 -0.16 0.00 0.00 57.90 58.36 1x1f n TYR 34 Cb 0.50 -2.25 -0.02 0.00 -0.31 0.00 0.00 39.34 37.25 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1x1f s GLU 35 N 1.95 3.45 -0.39 -0.72 2.02 -1.23 -4.94 118.70 118.83 1x1f s GLU 35 Ca 0.97 -0.63 -0.09 0.00 0.02 0.00 0.00 54.97 55.24 1x1f s GLU 35 Cb -1.28 -2.86 0.06 0.00 0.10 0.00 0.00 34.13 30.16 1x1f s GLU 35 CO 0.67 0.39 0.22 -1.01 0.02 0.00 0.00 175.26 175.55 1x1f s HIS 36 N -2.00 3.30 -0.02 1.61 3.76 -1.26 -3.45 115.29 117.24 1x1f s HIS 36 Ca 0.35 -1.39 0.05 0.00 -0.15 0.00 0.00 55.06 53.92 1x1f s HIS 36 Cb -0.10 -2.71 -0.01 0.00 1.11 0.00 0.00 32.58 30.87 1x1f s HIS 36 CO 0.30 -0.78 -0.16 0.71 -0.85 0.00 0.00 174.74 173.96 1x1f s TYR 37 N 1.45 1.49 -0.84 1.40 2.02 -1.14 -4.98 117.35 116.74 1x1f s TYR 37 Ca 0.02 -0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.17 1x1f s TYR 37 Cb -0.21 -0.96 -0.12 0.00 -0.40 0.00 0.00 41.96 40.26 1x1f s TYR 37 CO 0.03 -0.04 2.28 -0.46 -1.57 0.00 0.00 175.55 175.80 1x1f s TRP 38 N -0.35 1.30 -0.17 2.71 -0.11 0.50 -2.35 118.94 120.47 1x1f s TRP 38 Ca 0.05 1.69 -0.27 0.00 1.22 0.00 0.00 56.10 58.79 1x1f s TRP 38 Cb -0.07 -3.57 -0.01 0.00 -1.50 0.00 0.00 33.47 28.32 1x1f s TRP 38 CO -0.00 -1.55 0.93 0.99 -4.62 0.00 0.00 176.95 172.70 1x1f s THR 39 N 13.85 4.80 -0.13 5.86 2.01 -1.24 0.28 115.64 141.08 1x1f s THR 39 Ca 0.86 1.84 0.02 0.00 0.31 0.00 0.00 61.69 64.73 1x1f s THR 39 Cb -0.11 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1x1f s THR 39 CO 0.07 -0.04 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.15 1x1f s GLU 40 N 2.42 3.13 -0.31 4.92 2.02 0.34 -2.26 118.70 128.96 1x1f s GLU 40 Ca 0.42 -0.81 -0.20 0.00 0.02 0.00 0.00 54.97 54.40 1x1f s GLU 40 Cb -0.17 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 1x1f s GLU 40 CO 0.12 0.08 0.59 -1.17 0.02 0.00 0.00 175.26 174.91 1x1f s LEU 41 N 0.60 4.18 -0.05 1.80 0.20 0.51 -1.46 118.68 124.46 1x1f s LEU 41 Ca -0.11 0.33 0.00 0.00 0.69 0.00 0.00 54.13 55.04 1x1f s LEU 41 Cb -0.16 -2.75 0.02 0.00 -0.43 0.00 0.00 46.19 42.87 1x1f s LEU 41 CO 0.03 -0.47 -0.03 -0.13 -0.29 0.00 0.00 176.35 175.46 1x1f s ARG 42 N 2.55 0.76 2.87 1.98 0.52 -1.23 -1.58 118.95 124.81 1x1f s ARG 42 Ca 0.23 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 1x1f s ARG 42 Cb -0.15 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.46 1x1f s ARG 42 CO 0.12 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1x1f n GLY 43 N 4.33 0.53 0.35 -3.53 0.00 -1.23 -0.68 105.19 104.95 1x1f n GLY 43 Ca -0.21 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.00 -4.07 2.61 -2.24 -1.26 -4.88 114.28 104.44 1x1f n THR 44 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1x1f n THR 44 Cb 0.00 0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 68.72 1x1f n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x1f s THR 45 N 0.00 1.88 0.00 4.28 2.01 0.15 -3.23 115.64 120.73 1x1f s THR 45 Ca 0.00 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 1x1f s THR 45 Cb 0.00 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1x1f s THR 45 CO 0.00 0.41 1.27 -0.76 -0.69 0.00 0.00 174.62 174.85 1x1f s LEU 46 N 1.34 4.32 -0.15 4.42 1.43 -0.85 -3.47 118.68 125.73 1x1f s LEU 46 Ca 0.03 1.99 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 1x1f s LEU 46 Cb -0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1x1f s LEU 46 CO -0.11 -0.59 -0.17 -0.36 0.23 0.00 0.00 176.35 175.34 1x1f s PHE 47 N 1.87 2.74 -0.17 0.29 0.08 -0.53 0.19 117.98 122.45 1x1f s PHE 47 Ca 0.59 -1.11 -0.04 0.00 0.12 0.00 0.00 56.93 56.50 1x1f s PHE 47 Cb -0.29 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1x1f s PHE 47 CO 0.26 -0.50 -0.04 -0.06 -0.10 0.00 0.00 175.22 174.78 1x1f s PHE 48 N 0.78 2.99 0.34 0.36 0.08 0.14 0.13 117.98 122.80 1x1f s PHE 48 Ca -0.07 -0.48 0.08 0.00 0.12 0.00 0.00 56.93 56.59 1x1f s PHE 48 Cb -0.16 -2.00 -0.07 0.00 -0.57 0.00 0.00 43.02 40.23 1x1f s PHE 48 CO 0.00 -0.19 -0.05 0.71 -0.10 0.00 0.00 175.22 175.59 1x1f s TYR 49 N 0.70 2.26 -0.10 0.36 2.02 0.14 -1.28 117.35 121.45 1x1f s TYR 49 Ca -0.02 -0.63 -0.25 0.00 -0.37 0.00 0.00 57.07 55.80 1x1f s TYR 49 Cb -0.14 -1.37 -0.21 0.00 -0.40 0.00 0.00 41.96 39.83 1x1f s TYR 49 CO 0.02 0.43 0.82 1.79 -1.57 0.00 0.00 175.55 177.03 1x1f h THR 50 N 2.06 1.45 0.00 -0.71 1.35 -1.93 1.46 112.91 116.59 1x1f h THR 50 Ca -0.42 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1x1f h THR 50 Cb 1.24 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1x1f h THR 50 CO 0.71 0.45 0.00 -0.67 -0.25 0.00 0.00 175.52 175.76 1x1f n ASP 51 N -4.71 -0.10 0.07 5.36 2.03 -1.26 -4.13 116.55 113.82 1x1f n ASP 51 Ca -0.09 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1x1f n ASP 51 Cb 0.37 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1x1f n ASP 51 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1x1f n LYS 52 N -2.73 0.00 -0.47 -0.67 4.81 -1.26 -4.81 118.16 113.04 1x1f n LYS 52 Ca 0.00 0.00 0.40 0.00 -0.87 0.00 0.00 58.31 57.84 1x1f n LYS 52 Cb 0.00 0.00 0.68 0.00 0.02 0.00 0.00 35.03 35.73 1x1f n LYS 52 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1x1f h LYS 53 N 0.00 0.01 -6.09 1.64 1.79 -2.02 -3.39 116.57 108.51 1x1f h LYS 53 Ca 0.00 -0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 57.68 1x1f h LYS 53 Cb 0.00 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1x1f h LYS 53 CO 0.00 0.01 0.85 0.45 -1.08 0.00 0.00 179.45 179.68 1x1f n SER 54 N -4.75 1.94 -0.07 0.86 2.88 -1.26 -4.85 113.62 108.36 1x1f n SER 54 Ca 0.40 1.09 -0.09 0.00 -1.33 0.00 0.00 58.87 58.94 1x1f n SER 54 Cb 1.55 -1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x1f h ILE 55 N 5.24 0.65 -2.55 2.46 5.03 -2.03 -3.42 117.51 122.88 1x1f h ILE 55 Ca -0.44 -1.59 -0.67 0.00 -0.12 0.00 0.00 64.86 62.04 1x1f h ILE 55 Cb 1.34 1.33 -0.17 0.00 -3.03 0.00 0.00 36.82 36.30 1x1f h ILE 55 CO 0.97 0.22 0.64 -0.63 -0.68 0.00 0.00 178.15 178.67 1x1f s ILE 56 N -2.06 4.57 0.10 -0.67 1.09 -1.26 -4.99 121.20 117.98 1x1f s ILE 56 Ca -0.15 -1.01 -0.29 0.00 -1.10 0.00 0.00 60.65 58.10 1x1f s ILE 56 Cb 0.01 -4.71 -0.16 0.00 -1.06 0.00 0.00 42.46 36.54 1x1f s ILE 56 CO 0.35 -1.45 0.67 0.00 -0.10 0.00 0.00 174.94 174.41 1x1f n TYR 57 N 7.01 0.01 -0.21 3.97 0.18 -1.26 -4.74 117.16 122.13 1x1f n TYR 57 Ca 0.09 0.88 0.22 0.00 1.88 0.00 0.00 57.90 60.97 1x1f n TYR 57 Cb 0.47 -1.76 0.59 0.00 -0.38 0.00 0.00 39.34 38.25 1x1f n TYR 57 CO 0.00 0.00 0.00 -0.24 -2.08 0.00 0.00 176.86 174.54 1x1f h VAL 58 N 1.66 0.64 -1.46 -3.48 3.04 -1.53 -3.44 116.25 111.69 1x1f h VAL 58 Ca -0.33 -0.09 0.22 0.00 -1.01 0.00 0.00 66.70 65.49 1x1f h VAL 58 Cb 1.26 0.36 -0.21 0.00 -2.01 0.00 0.00 31.29 30.69 1x1f h VAL 58 CO 0.53 0.05 0.78 -0.62 -1.01 0.00 0.00 177.57 177.30 1x1f s ASP 59 N -5.68 -0.16 0.18 3.17 -1.08 -1.09 -5.06 116.67 106.95 1x1f s ASP 59 Ca -0.07 0.06 0.02 0.00 -0.52 0.00 0.00 52.55 52.05 1x1f s ASP 59 Cb 0.22 0.16 -0.05 0.00 -1.46 0.00 0.00 42.92 41.79 1x1f s ASP 59 CO 0.78 -0.23 -0.01 -1.59 0.52 0.00 0.00 175.17 174.63 1x1f s LYS 60 N -2.01 1.13 0.31 4.34 -2.85 -1.26 0.28 119.74 119.68 1x1f s LYS 60 Ca 0.07 -1.54 0.02 0.00 -1.00 0.00 0.00 55.97 53.52 1x1f s LYS 60 Cb -0.01 -0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 35.38 1x1f s LYS 60 CO -0.05 -0.10 0.08 1.28 0.10 0.00 0.00 175.35 176.67 1x1f n LEU 61 N -0.26 0.00 -3.71 2.77 4.77 0.51 -4.95 117.00 116.13 1x1f n LEU 61 Ca -0.07 -2.23 -0.15 0.00 -0.03 0.00 0.00 56.01 53.53 1x1f n LEU 61 Cb 0.63 0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 42.20 1x1f n LEU 61 CO 0.34 -0.34 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.21 1x1f s ASP 62 N -2.82 0.29 -0.05 -1.43 2.15 -1.26 -2.01 116.67 111.53 1x1f s ASP 62 Ca 0.12 0.33 0.13 0.00 0.43 0.00 0.00 52.55 53.55 1x1f s ASP 62 Cb 0.01 0.24 0.24 0.00 -0.30 0.00 0.00 42.92 43.12 1x1f s ASP 62 CO 0.08 -0.20 1.11 2.30 -0.17 0.00 0.00 175.17 178.30 1x1f n ILE 63 N 4.75 0.67 0.03 4.11 -5.35 -1.20 -4.78 119.36 117.59 1x1f n ILE 63 Ca -0.16 -1.20 -0.16 0.00 -0.27 0.00 0.00 62.75 60.96 1x1f n ILE 63 Cb 0.51 0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 38.76 1x1f n ILE 63 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1x1f h VAL 64 N 4.83 1.33 -0.51 7.28 3.04 -1.81 -3.00 116.25 127.40 1x1f h VAL 64 Ca -0.07 -2.19 0.00 0.00 -1.01 0.00 0.00 66.70 63.43 1x1f h VAL 64 Cb 1.42 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 32.92 1x1f h VAL 64 CO 0.03 0.67 0.00 0.47 -1.01 0.00 0.00 177.57 177.73 1x1f n ASP 65 N -3.85 5.24 -4.47 3.17 8.00 -1.26 -4.87 116.55 118.51 1x1f n ASP 65 Ca -0.08 -2.83 -0.55 0.00 0.71 0.00 0.00 54.79 52.04 1x1f n ASP 65 Cb 0.80 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1x1f n LEU 66 N 0.56 -0.32 0.11 0.64 7.94 -1.13 -4.20 117.00 120.59 1x1f n LEU 66 Ca 0.25 1.15 -0.24 0.00 -1.11 0.00 0.00 56.01 56.06 1x1f n LEU 66 Cb 1.10 -0.94 -0.15 0.00 0.53 0.00 0.00 43.42 43.95 1x1f n LEU 66 CO 0.29 -2.22 -0.39 0.74 -1.11 0.00 0.00 177.39 174.71 1x1f h THR 67 N 2.36 1.11 0.00 1.96 2.02 0.16 -3.48 112.91 117.05 1x1f h THR 67 Ca -0.43 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.14 1x1f h THR 67 Cb 1.43 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.75 1x1f h THR 67 CO 0.63 0.84 0.00 0.00 0.37 0.00 0.00 175.52 177.35 1x1f s LEU 69 N 0.00 1.65 0.07 0.00 0.20 -1.26 -2.59 118.68 116.75 1x1f s LEU 69 Ca 0.00 -0.21 0.06 0.00 0.69 0.00 0.00 54.13 54.67 1x1f s LEU 69 Cb 0.00 -0.61 -0.04 0.00 -0.43 0.00 0.00 46.19 45.12 1x1f s LEU 69 CO 0.00 0.03 -0.09 0.42 -0.29 0.00 0.00 176.35 176.43 1x1f s THR 70 N 0.46 3.47 0.06 3.68 -4.23 -1.19 -4.99 115.64 112.90 1x1f s THR 70 Ca -0.08 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 1x1f s THR 70 Cb -0.12 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1x1f s THR 70 CO 0.01 0.21 -0.04 -1.61 -0.54 0.00 0.00 174.62 172.65 1x1f s GLU 71 N -1.95 2.49 -0.02 3.99 8.01 -1.26 -2.87 118.70 127.09 1x1f s GLU 71 Ca 0.20 -0.82 0.08 0.00 0.01 0.00 0.00 54.97 54.44 1x1f s GLU 71 Cb -0.11 -2.50 -0.02 0.00 -4.31 0.00 0.00 34.13 27.19 1x1f s GLU 71 CO 0.12 0.56 -0.25 -0.65 0.01 0.00 0.00 175.26 175.05 1x1f s GLN 72 N -1.97 2.17 0.03 1.61 1.11 -0.60 -4.99 119.66 117.02 1x1f s GLN 72 Ca 0.22 -0.91 -0.19 0.00 0.01 0.00 0.00 55.36 54.49 1x1f s GLN 72 Cb -0.11 -2.07 -0.06 0.00 -1.01 0.00 0.00 33.01 29.75 1x1f s GLN 72 CO 0.14 0.55 0.54 0.54 0.01 0.00 0.00 175.29 177.07 1x1f s ASN 73 N -0.59 6.98 0.06 5.90 2.20 -1.26 -4.63 114.94 123.60 1x1f s ASN 73 Ca 0.09 1.16 -0.00 0.00 -0.94 0.00 0.00 52.86 53.17 1x1f s ASN 73 Cb -0.10 -2.34 -0.00 0.00 -2.00 0.00 0.00 41.25 36.81 1x1f s ASN 73 CO -0.01 0.24 -0.01 -0.24 -2.94 0.00 0.00 177.10 174.14 1x1f n SER 74 N 2.03 0.76 0.10 3.54 2.88 -1.26 -5.07 113.62 116.60 1x1f n SER 74 Ca -0.10 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x1f n SER 74 Cb 0.51 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1x1f n SER 74 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1x1f n THR 75 N -3.19 0.00 -2.73 2.46 -1.04 -1.26 -5.08 114.28 103.45 1x1f n THR 75 Ca -0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 1x1f n THR 75 Cb 0.01 -0.29 0.02 0.00 -1.82 0.00 0.00 70.33 68.26 1x1f n THR 75 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1x1f s GLU 76 N -1.64 0.41 -0.68 -2.82 2.12 -1.26 -5.02 118.70 109.82 1x1f s GLU 76 Ca 0.00 -0.37 -0.13 0.00 0.36 0.00 0.00 54.97 54.84 1x1f s GLU 76 Cb 0.00 -0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.40 1x1f s GLU 76 CO 0.00 -0.52 0.63 1.17 -0.54 0.00 0.00 175.26 176.00 1x1f n LYS 77 N 2.90 -1.69 0.08 4.30 3.00 -1.26 -4.92 118.16 120.57 1x1f n LYS 77 Ca 0.12 1.12 0.00 0.00 -0.00 0.00 0.00 58.31 59.55 1x1f n LYS 77 Cb 0.62 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.85 1x1f n LYS 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1x1f n ASN 78 N -1.68 0.65 -4.83 3.14 5.15 -1.26 -4.99 115.26 111.45 1x1f n ASN 78 Ca -0.19 0.25 -0.22 0.00 -0.60 0.00 0.00 54.58 53.82 1x1f n ASN 78 Cb 0.66 -0.08 -0.04 0.00 -0.53 0.00 0.00 39.78 39.79 1x1f n ASN 78 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x1f s ALA 80 N -2.27 2.47 -0.11 0.00 0.00 -1.26 -4.78 121.76 115.81 1x1f s ALA 80 Ca 0.38 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1x1f s ALA 80 Cb -0.06 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.65 1x1f s ALA 80 CO 0.25 -0.91 0.02 0.15 0.00 0.00 0.00 175.76 175.28 1x1f s LYS 81 N 1.17 0.50 0.04 0.00 1.02 -1.26 -3.00 119.74 118.22 1x1f s LYS 81 Ca -0.04 -0.02 -0.00 0.00 0.02 0.00 0.00 55.97 55.93 1x1f s LYS 81 Cb -0.18 -1.30 -0.03 0.00 -0.52 0.00 0.00 37.83 35.80 1x1f s LYS 81 CO -0.08 -0.42 -0.03 -0.59 -0.92 0.00 0.00 175.35 173.30 1x1f s PHE 82 N 1.98 0.47 -0.13 3.18 -0.12 -1.26 -1.55 117.98 120.55 1x1f s PHE 82 Ca 0.03 -0.88 -0.05 0.00 -0.05 0.00 0.00 56.93 55.99 1x1f s PHE 82 Cb -0.14 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 1x1f s PHE 82 CO -0.06 -0.30 0.05 0.99 -0.05 0.00 0.00 175.22 175.85 1x1f s THR 83 N -3.06 4.68 -0.75 -4.49 2.01 -1.14 -2.51 115.64 110.39 1x1f s THR 83 Ca -0.00 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 1x1f s THR 83 Cb 0.02 -3.04 0.09 0.00 0.01 0.00 0.00 72.50 69.58 1x1f s THR 83 CO -0.07 0.55 0.99 -0.76 -0.69 0.00 0.00 174.62 174.64 1x1f s LEU 84 N -0.35 4.72 -0.09 4.42 2.01 1.00 -3.19 118.68 127.20 1x1f s LEU 84 Ca 0.08 -1.41 -0.30 0.00 0.01 0.00 0.00 54.13 52.52 1x1f s LEU 84 Cb -0.12 -2.40 -0.03 0.00 0.01 0.00 0.00 46.19 43.65 1x1f s LEU 84 CO 0.02 -1.28 1.20 -0.69 1.01 0.00 0.00 176.35 176.61 1x1f s VAL 85 N 3.44 4.31 0.18 -1.59 1.01 -1.07 -2.14 120.40 124.55 1x1f s VAL 85 Ca 0.25 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.93 1x1f s VAL 85 Cb -0.13 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1x1f s VAL 85 CO 0.03 -0.04 -0.16 -0.76 0.00 0.00 0.00 175.10 174.17 1x1f s LEU 86 N 2.54 2.50 0.00 3.92 1.43 -1.21 0.18 118.68 128.04 1x1f s LEU 86 Ca 0.55 -0.94 0.22 0.00 -1.03 0.00 0.00 54.13 52.92 1x1f s LEU 86 Cb -0.23 -0.72 1.31 0.00 0.03 0.00 0.00 46.19 46.58 1x1f s LEU 86 CO 0.19 -0.12 1.71 -0.81 0.23 0.00 0.00 176.35 177.55 1x1f n PRO 87 N -0.05 0.75 -0.02 1.29 -0.04 -1.26 -3.58 135.00 132.09 1x1f n PRO 87 Ca -0.11 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.30 1x1f n PRO 87 Cb 0.59 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1x1f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x1f n LYS 88 N -0.96 0.19 -3.51 0.54 5.02 -1.26 -5.11 118.16 113.08 1x1f n LYS 88 Ca 0.16 0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 1x1f n LYS 88 Cb 0.08 -0.82 -0.05 0.00 -0.02 0.00 0.00 35.03 34.22 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x1f s GLU 89 N -2.26 1.11 0.14 1.97 2.12 -1.23 -5.16 118.70 115.39 1x1f s GLU 89 Ca -0.11 -0.08 -0.12 0.00 0.36 0.00 0.00 54.97 55.02 1x1f s GLU 89 Cb 0.03 0.52 -0.07 0.00 0.26 0.00 0.00 34.13 34.87 1x1f s GLU 89 CO 0.15 -0.41 0.50 -1.21 -0.54 0.00 0.00 175.26 173.76 1x1f s GLU 90 N -2.26 3.87 0.05 4.30 2.02 -1.26 -3.30 118.70 122.13 1x1f s GLU 90 Ca -0.06 0.34 0.04 0.00 0.02 0.00 0.00 54.97 55.31 1x1f s GLU 90 Cb -0.01 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 1x1f s GLU 90 CO 0.00 0.47 -0.12 0.08 0.02 0.00 0.00 175.26 175.72 1x1f s VAL 91 N -1.52 0.89 -0.06 2.63 1.01 -0.91 -4.48 120.40 117.96 1x1f s VAL 91 Ca 0.38 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1x1f s VAL 91 Cb -0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1x1f s VAL 91 CO 0.19 -0.23 0.09 -1.10 0.00 0.00 0.00 175.10 174.05 1x1f s GLN 92 N -1.54 3.20 0.24 2.72 -0.21 -1.26 -0.00 119.66 122.82 1x1f s GLN 92 Ca -0.04 -0.33 0.08 0.00 0.02 0.00 0.00 55.36 55.08 1x1f s GLN 92 Cb -0.09 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 1x1f s GLN 92 CO 0.01 0.71 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.27 1x1f s LEU 93 N -1.30 2.53 -0.19 2.90 1.02 -1.04 -3.07 118.68 119.52 1x1f s LEU 93 Ca 0.18 -1.09 -0.16 0.00 0.02 0.00 0.00 54.13 53.08 1x1f s LEU 93 Cb -0.12 -0.69 0.05 0.00 0.02 0.00 0.00 46.19 45.45 1x1f s LEU 93 CO 0.08 -0.22 0.51 -0.75 0.02 0.00 0.00 176.35 175.98 1x1f s LYS 94 N -3.67 0.57 0.00 1.70 2.20 -1.03 -4.06 119.74 115.45 1x1f s LYS 94 Ca 0.26 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1x1f s LYS 94 Cb 0.01 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1x1f s LYS 94 CO 0.09 -0.09 0.00 0.25 -0.36 0.00 0.00 175.35 175.24 1x1f n THR 95 N 3.16 0.00 -3.07 3.43 -2.24 -1.16 -2.66 114.28 111.73 1x1f n THR 95 Ca -0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1x1f n THR 95 Cb 0.56 -0.55 0.07 0.00 -2.10 0.00 0.00 70.33 68.31 1x1f n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 96 N -2.34 -4.96 0.00 -0.78 -0.58 -1.25 -4.92 120.64 105.81 1x1f n GLU 96 Ca 0.00 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1x1f n GLU 96 Cb 0.33 -5.00 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 1x1f n GLU 96 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1x1f n ASN 97 N -2.54 0.00 -0.22 1.62 2.85 -1.26 -4.89 115.26 110.81 1x1f n ASN 97 Ca -0.20 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.21 1x1f n ASN 97 Cb 0.62 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.64 1x1f n ASN 97 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1x1f h THR 98 N 0.00 0.14 0.00 -0.44 2.02 -1.80 0.39 112.91 113.21 1x1f h THR 98 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x1f h THR 98 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1x1f h THR 98 CO 0.00 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.27 1x1f n GLU 99 N -5.43 0.00 -0.32 6.66 -0.58 -1.26 0.10 120.64 119.81 1x1f n GLU 99 Ca 0.04 0.63 0.04 0.00 -0.42 0.00 0.00 57.16 57.45 1x1f n GLU 99 Cb 0.36 -1.35 0.12 0.00 -0.57 0.00 0.00 31.44 30.00 1x1f n GLU 99 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1x1f h SER 100 N 0.00 -0.85 0.00 1.62 0.02 -1.86 0.90 113.55 113.38 1x1f h SER 100 Ca 0.00 0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1x1f h SER 100 Cb 0.00 0.56 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1x1f h SER 100 CO 0.00 -0.30 -0.00 1.23 -1.14 0.00 0.00 176.83 176.62 1x1f h GLY 101 N -0.00 -0.75 -0.99 -3.77 0.00 0.41 -1.49 103.07 96.49 1x1f h GLY 101 Ca 0.43 0.32 0.35 0.00 0.00 0.00 0.00 47.33 48.43 1x1f h GLY 101 CO -0.92 -0.28 0.30 1.18 0.00 0.00 0.00 176.54 176.81 1x1f n GLU 102 N -2.29 -0.07 0.01 4.80 -0.58 0.28 0.17 120.64 122.97 1x1f n GLU 102 Ca -0.00 1.42 -0.01 0.00 -0.42 0.00 0.00 57.16 58.15 1x1f n GLU 102 Cb 0.00 -2.41 -0.00 0.00 -0.57 0.00 0.00 31.44 28.46 1x1f n GLU 102 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1x1f h GLU 103 N 0.00 -0.03 0.10 3.49 5.08 -0.37 0.55 114.58 123.40 1x1f h GLU 103 Ca 0.73 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 59.10 1x1f h GLU 103 Cb 1.77 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 1x1f h GLU 103 CO -0.84 -0.02 -0.40 -1.49 -1.00 0.00 0.00 179.01 175.26 1x1f h TRP 104 N -0.03 -1.16 -0.90 4.33 4.06 0.01 1.02 115.95 123.28 1x1f h TRP 104 Ca -0.00 0.03 0.21 0.00 2.06 0.00 0.00 58.89 61.19 1x1f h TRP 104 Cb 0.03 0.49 -0.17 0.00 -1.00 0.00 0.00 29.16 28.51 1x1f h TRP 104 CO -0.10 -0.45 -0.10 -2.13 -3.56 0.00 0.00 178.44 172.09 1x1f n ARG 105 N -4.73 -0.08 0.25 0.49 0.63 0.13 0.15 116.66 113.50 1x1f n ARG 105 Ca -0.06 1.38 -0.10 0.00 -0.92 0.00 0.00 57.85 58.14 1x1f n ARG 105 Cb 0.31 -2.13 -0.05 0.00 0.45 0.00 0.00 32.46 31.04 1x1f n ARG 105 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1x1f h GLY 106 N 0.00 -0.71 -0.32 5.14 0.00 0.16 -0.55 103.07 106.78 1x1f h GLY 106 Ca 0.49 0.26 0.24 0.00 0.00 0.00 0.00 47.33 48.32 1x1f h GLY 106 CO -0.89 -0.26 0.37 0.74 0.00 0.00 0.00 176.54 176.50 1x1f h PHE 107 N -1.10 0.60 0.66 5.60 0.04 0.30 0.11 116.94 123.15 1x1f h PHE 107 Ca -0.07 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1x1f h PHE 107 Cb 0.52 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.56 1x1f h PHE 107 CO 0.01 -0.12 -0.32 0.82 -0.60 0.00 0.00 178.31 178.11 1x1f h ILE 108 N 0.33 0.00 -0.98 -0.55 5.03 0.14 -0.29 117.51 121.18 1x1f h ILE 108 Ca 0.58 -0.24 0.28 0.00 -0.12 0.00 0.00 64.86 65.37 1x1f h ILE 108 Cb 1.16 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.91 1x1f h ILE 108 CO -0.58 0.00 0.98 -0.07 -0.68 0.00 0.00 178.15 177.80 1x1f h LEU 109 N -1.12 0.00 0.23 1.44 3.38 0.03 1.79 115.31 121.06 1x1f h LEU 109 Ca -0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.57 1x1f h LEU 109 Cb 0.68 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.46 1x1f h LEU 109 CO 0.15 0.00 -1.40 0.74 0.09 0.00 0.00 178.44 178.02 1x1f h THR 110 N 0.00 1.29 -0.56 0.22 2.02 -0.37 0.20 112.91 115.71 1x1f h THR 110 Ca 0.47 -2.65 -0.27 0.00 0.77 0.00 0.00 66.41 64.72 1x1f h THR 110 Cb 2.43 3.05 -0.16 0.00 -1.74 0.00 0.00 68.15 71.72 1x1f h THR 110 CO -0.00 0.80 0.34 1.33 0.37 0.00 0.00 175.52 178.36 1x1f n VAL 111 N -3.78 2.22 0.00 3.16 0.24 0.59 -2.59 118.33 118.16 1x1f n VAL 111 Ca -0.17 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1x1f n VAL 111 Cb 1.06 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1x1f n VAL 111 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1f n THR 112 N -0.37 0.00 1.00 3.34 -2.24 0.11 -4.64 114.28 111.48 1x1f n THR 112 Ca 0.33 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 1x1f n THR 112 Cb 1.15 -0.25 0.42 0.00 -2.10 0.00 0.00 70.33 69.54 1x1f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 113 N -2.17 0.01 -1.68 -0.78 1.02 0.70 -4.90 120.64 112.84 1x1f n GLU 113 Ca 0.00 -0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.96 1x1f n GLU 113 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 1x1f n GLU 113 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1f n LEU 114 N -1.49 -1.37 0.00 -4.62 7.99 -1.07 -4.91 117.00 111.52 1x1f n LEU 114 Ca 0.06 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 1x1f n LEU 114 Cb 0.34 -2.47 0.00 0.00 -0.11 0.00 0.00 43.42 41.18 1x1f n LEU 114 CO 0.31 -0.75 0.00 -0.24 -1.51 0.00 0.00 177.39 175.20 1x1f n SER 115 N -0.90 0.00 -3.84 -1.43 2.88 -1.24 -5.03 113.62 104.06 1x1f n SER 115 Ca -0.18 -0.09 -0.23 0.00 -1.33 0.00 0.00 58.87 57.04 1x1f n SER 115 Cb 0.59 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.88 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1f s VAL 116 N -1.27 0.56 -0.17 2.46 1.01 -1.26 -4.11 120.40 117.61 1x1f s VAL 116 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1x1f s VAL 116 Cb 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1x1f s VAL 116 CO 0.00 0.27 1.28 -2.16 0.00 0.00 0.00 175.10 174.49 1x1f s PRO 117 N 1.57 4.20 -0.19 2.72 0.04 -1.26 -4.89 135.00 137.20 1x1f s PRO 117 Ca -0.00 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1x1f s PRO 117 Cb -0.13 -3.78 0.39 0.00 0.04 0.00 0.00 34.50 31.01 1x1f s PRO 117 CO -0.04 -0.75 1.34 1.04 0.04 0.00 0.00 177.00 178.63 1x1f n GLN 118 N 6.69 2.26 -2.01 4.56 6.02 -1.26 -3.92 117.38 129.72 1x1f n GLN 118 Ca 0.14 -1.61 -0.17 0.00 -0.01 0.00 0.00 57.00 55.36 1x1f n GLN 118 Cb 0.45 -1.74 0.04 0.00 1.02 0.00 0.00 30.24 30.01 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x1f n ASN 119 N -0.06 3.98 -4.55 1.08 4.13 -1.26 -5.03 115.26 113.55 1x1f n ASN 119 Ca 0.24 -3.44 -0.34 0.00 1.68 0.00 0.00 54.58 52.73 1x1f n ASN 119 Cb 0.96 -0.38 -0.12 0.00 -1.54 0.00 0.00 39.78 38.70 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1x1f s VAL 120 N -4.24 3.60 -1.55 2.41 -7.23 -1.25 -4.99 120.40 107.15 1x1f s VAL 120 Ca 0.45 -0.51 0.28 0.00 -1.81 0.00 0.00 61.98 60.40 1x1f s VAL 120 Cb 0.39 -2.47 0.39 0.00 0.56 0.00 0.00 36.38 35.25 1x1f s VAL 120 CO 0.01 0.58 1.81 -0.24 -0.31 0.00 0.00 175.10 176.96 1x1f n SER 121 N 2.44 0.47 -4.33 4.85 2.88 -1.26 -4.91 113.62 113.75 1x1f n SER 121 Ca -0.18 -0.48 -0.33 0.00 -1.33 0.00 0.00 58.87 56.55 1x1f n SER 121 Cb 0.53 -0.07 0.12 0.00 -0.75 0.00 0.00 64.21 64.03 1x1f n SER 121 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1x1f n LEU 122 N -1.02 -1.39 -4.57 2.46 7.94 -1.26 -4.93 117.00 114.22 1x1f n LEU 122 Ca 0.13 0.23 -0.28 0.00 -1.11 0.00 0.00 56.01 54.97 1x1f n LEU 122 Cb 0.29 -1.09 0.22 0.00 0.53 0.00 0.00 43.42 43.37 1x1f n LEU 122 CO 0.25 -3.83 0.57 -0.76 -1.11 0.00 0.00 177.39 172.51 1x1f s LEU 123 N 0.28 1.18 0.00 -1.96 2.01 -1.26 -4.80 118.68 114.13 1x1f s LEU 123 Ca 0.54 1.38 0.22 0.00 0.01 0.00 0.00 54.13 56.28 1x1f s LEU 123 Cb -0.18 -3.41 1.04 0.00 0.01 0.00 0.00 46.19 43.64 1x1f s LEU 123 CO 0.69 -3.74 1.72 -0.81 1.01 0.00 0.00 176.35 175.22 1x1f n PRO 124 N -4.60 0.16 -0.08 1.29 -0.04 -1.26 -2.08 135.00 128.39 1x1f n PRO 124 Ca 0.04 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1x1f n PRO 124 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1x1f n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1f n GLY 125 N 0.70 -0.75 0.18 0.55 0.00 -1.26 -4.15 105.19 100.46 1x1f n GLY 125 Ca 0.08 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1x1f n GLY 125 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x1f h GLN 126 N 0.01 0.52 -0.23 1.61 1.08 -1.88 -3.03 115.11 113.20 1x1f h GLN 126 Ca -0.50 -0.50 0.06 0.00 -1.45 0.00 0.00 58.65 56.27 1x1f h GLN 126 Cb 2.08 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 29.62 1x1f h GLN 126 CO 0.01 1.13 0.16 0.28 -0.95 0.00 0.00 178.83 179.46 1x1f h VAL 127 N 0.32 0.90 -0.37 -0.54 2.07 -1.61 -1.02 116.25 116.00 1x1f h VAL 127 Ca -0.07 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1x1f h VAL 127 Cb 1.49 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 1x1f h VAL 127 CO 0.16 0.01 0.05 0.40 0.02 0.00 0.00 177.57 178.20 1x1f h ILE 128 N 0.03 0.78 -0.74 4.57 2.04 -1.69 -1.68 117.51 120.82 1x1f h ILE 128 Ca 0.11 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 66.04 1x1f h ILE 128 Cb 0.39 0.60 -0.14 0.00 -0.74 0.00 0.00 36.82 36.94 1x1f h ILE 128 CO -0.00 0.03 -0.31 0.11 0.00 0.00 0.00 178.15 177.97 1x1f h LYS 129 N 0.16 -0.08 -0.86 2.37 1.79 -1.30 1.12 116.57 119.78 1x1f h LYS 129 Ca 0.18 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.84 1x1f h LYS 129 Cb 0.22 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.78 1x1f h LYS 129 CO -0.26 -0.05 0.39 -0.07 -1.08 0.00 0.00 179.45 178.38 1x1f h LEU 130 N -0.08 0.37 0.13 2.94 3.38 -1.38 1.77 115.31 122.44 1x1f h LEU 130 Ca 0.30 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1x1f h LEU 130 Cb 0.57 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1x1f h LEU 130 CO -0.79 0.08 -0.06 0.45 0.09 0.00 0.00 178.44 178.21 1x1f h HIS 131 N 0.47 -0.16 0.96 1.13 3.86 0.13 -1.47 115.15 120.07 1x1f h HIS 131 Ca 0.50 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.66 1x1f h HIS 131 Cb 0.86 0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.39 1x1f h HIS 131 CO -0.13 0.11 -0.46 0.93 0.86 0.00 0.00 177.93 179.24 1x1f h GLU 132 N -0.42 -1.24 -0.93 2.45 5.08 0.16 -2.25 114.58 117.44 1x1f h GLU 132 Ca -0.02 0.08 0.25 0.00 -1.00 0.00 0.00 59.36 58.68 1x1f h GLU 132 Cb 0.34 0.28 -0.17 0.00 0.50 0.00 0.00 28.75 29.70 1x1f h GLU 132 CO 0.03 -0.83 0.08 0.28 -1.00 0.00 0.00 179.01 177.57 1x1f h VAL 133 N -1.34 0.13 0.03 3.13 2.07 0.25 0.52 116.25 121.04 1x1f h VAL 133 Ca -0.13 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1x1f h VAL 133 Cb 0.99 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1x1f h VAL 133 CO 0.22 0.01 -0.06 0.25 0.02 0.00 0.00 177.57 178.01 1x1f h LEU 134 N 0.06 -0.17 -1.33 2.57 5.85 -0.99 0.24 115.31 121.55 1x1f h LEU 134 Ca 0.57 0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.59 1x1f h LEU 134 Cb 1.15 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 1x1f h LEU 134 CO -0.83 -0.07 0.68 1.05 -0.34 0.00 0.00 178.44 178.94 1x1f h GLU 135 N -0.10 0.36 0.05 1.25 4.11 -0.47 0.86 114.58 120.65 1x1f h GLU 135 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1x1f h GLU 135 Cb 0.09 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x1f h GLU 135 CO -0.02 0.24 -0.04 0.00 0.07 0.00 0.00 179.01 179.26 1x1f h ARG 136 N 0.37 -0.09 0.00 1.06 2.47 0.95 -2.34 114.38 116.80 1x1f h ARG 136 Ca 0.63 0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 59.24 1x1f h ARG 136 Cb 1.60 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.93 1x1f h ARG 136 CO -0.33 -0.06 -0.52 1.05 0.56 0.00 0.00 179.97 180.67 1x1f h GLU 137 N -0.09 0.00 -0.43 0.04 4.11 0.27 -3.18 114.58 115.30 1x1f h GLU 137 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.52 1x1f h GLU 137 Cb 0.08 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1x1f h GLU 137 CO -0.00 0.52 -0.15 0.87 0.07 0.00 0.00 179.01 180.32 1x1f h LYS 138 N 0.00 -0.05 -1.02 1.06 1.57 0.11 0.42 116.57 118.66 1x1f h LYS 138 Ca -0.01 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 1x1f h LYS 138 Cb 1.06 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.27 1x1f h LYS 138 CO 0.07 -0.03 0.63 0.87 -0.57 0.00 0.00 179.45 180.42 1x1f h LYS 139 N -0.05 0.49 0.00 3.15 1.79 -1.46 1.46 116.57 121.95 1x1f h LYS 139 Ca 0.21 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.57 1x1f h LYS 139 Cb 0.37 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1x1f h LYS 139 CO -0.47 0.32 -0.41 0.00 -1.08 0.00 0.00 179.45 177.82 1x1f h ARG 140 N 0.50 0.00 0.00 3.15 3.08 -0.36 -2.34 114.38 118.41 1x1f h ARG 140 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1x1f h ARG 140 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1x1f h ARG 140 CO -0.38 0.41 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1x1f h ARG 141 N 0.00 0.00 0.00 0.04 2.47 0.34 -2.93 114.38 114.30 1x1f h ARG 141 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1x1f h ARG 141 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1x1f h ARG 141 CO 0.05 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.69 1x1f n ILE 142 N -2.47 0.00 0.00 2.04 5.41 -0.88 -4.07 119.36 119.39 1x1f n ILE 142 Ca -0.01 0.92 0.00 0.00 1.00 0.00 0.00 62.75 64.66 1x1f n ILE 142 Cb 0.12 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x1f n GLU 143 N -0.84 0.00 -2.35 0.38 1.02 -1.21 -4.26 120.64 113.37 1x1f n GLU 143 Ca 0.00 0.39 -0.43 0.00 -0.02 0.00 0.00 57.16 57.10 1x1f n GLU 143 Cb 0.00 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1x1f n GLU 143 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x1f s SER 144 N -2.37 6.37 0.37 1.62 0.01 -1.11 -5.00 113.70 113.58 1x1f s SER 144 Ca 0.00 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1x1f s SER 144 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1x1f s SER 144 CO 0.00 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.87 1x1f n GLY 145 N 4.99 -0.72 3.77 3.44 0.00 -1.26 -4.18 105.19 111.22 1x1f n GLY 145 Ca 0.16 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1x1f n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1f s PRO 146 N -1.04 -0.01 0.21 1.61 0.04 -1.26 -5.04 135.00 129.51 1x1f s PRO 146 Ca 0.00 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1x1f s PRO 146 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1x1f s PRO 146 CO 0.00 -2.89 0.00 0.45 0.04 0.00 0.00 177.00 174.60 1x1f n SER 147 N -4.16 0.19 -2.81 6.66 2.88 -1.26 -5.12 113.62 110.00 1x1f n SER 147 Ca 0.13 0.34 -0.03 0.00 -1.33 0.00 0.00 58.87 57.98 1x1f n SER 147 Cb 0.59 0.17 -0.02 0.00 -0.75 0.00 0.00 64.21 64.20 1x1f n SER 147 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x1f n SER 148 N -3.39 -4.00 0.00 -3.46 2.88 -1.26 -5.25 113.62 99.14 1x1f n SER 148 Ca 0.00 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1x1f n SER 148 Cb 0.02 -3.87 0.00 0.00 -0.75 0.00 0.00 64.21 59.61 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42