#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6h s SER 5 N 0.00 5.81 -0.04 1.09 0.15 -1.26 -5.03 113.70 114.42 3k6h s SER 5 Ca 0.00 2.49 0.04 0.00 0.70 0.00 0.00 55.95 59.18 3k6h s SER 5 Cb 0.00 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 3k6h s SER 5 CO 0.00 -1.18 -0.14 -1.81 1.20 0.00 0.00 173.24 171.31 3k6h s ASP 6 N -1.20 4.03 -0.17 5.45 1.01 -1.26 -5.00 116.67 119.53 3k6h s ASP 6 Ca 0.67 -0.21 -0.08 0.00 0.71 0.00 0.00 52.55 53.64 3k6h s ASP 6 Cb -0.33 -0.84 0.07 0.00 1.01 0.00 0.00 42.92 42.83 3k6h s ASP 6 CO 0.40 0.34 0.38 -0.63 0.21 0.00 0.00 175.17 175.87 3k6h s ILE 7 N -0.76 -0.26 0.63 0.77 1.09 -1.26 -5.14 121.20 116.26 3k6h s ILE 7 Ca 0.12 0.14 -0.18 0.00 -1.10 0.00 0.00 60.65 59.63 3k6h s ILE 7 Cb -0.11 -0.59 -0.02 0.00 -1.06 0.00 0.00 42.46 40.68 3k6h s ILE 7 CO 0.01 0.06 1.23 0.29 -0.10 0.00 0.00 174.94 176.43 3k6h n LYS 8 N 4.73 1.13 -0.19 2.79 4.76 -1.26 -4.90 118.16 125.22 3k6h n LYS 8 Ca -0.17 0.44 -0.08 0.00 -2.87 0.00 0.00 58.31 55.63 3k6h n LYS 8 Cb 0.53 -2.46 0.02 0.00 -1.84 0.00 0.00 35.03 31.28 3k6h n LYS 8 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3k6h h LEU 9 N 0.61 0.71 -0.92 -0.35 5.85 -2.01 -2.83 115.31 116.37 3k6h h LEU 9 Ca -0.50 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.01 3k6h h LEU 9 Cb 1.34 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3k6h h LEU 9 CO 0.53 0.67 0.14 0.25 -0.34 0.00 0.00 178.44 179.68 3k6h h LEU 10 N 0.71 0.87 -1.32 2.25 5.85 -2.00 -1.86 115.31 119.81 3k6h h LEU 10 Ca 0.18 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3k6h h LEU 10 Cb 0.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3k6h h LEU 10 CO -0.02 0.85 -0.28 0.44 -0.34 0.00 0.00 178.44 179.10 3k6h h ASP 11 N 0.89 0.00 0.08 1.25 3.32 -1.92 -3.09 116.42 116.94 3k6h h ASP 11 Ca 0.19 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.00 3k6h h ASP 11 Cb 0.33 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.90 3k6h h ASP 11 CO 0.00 0.28 -1.00 0.22 -1.72 0.00 0.00 179.24 177.02 3k6h h TYR 12 N 0.00 0.86 -0.06 4.55 3.20 -1.11 -3.16 116.97 121.25 3k6h h TYR 12 Ca -0.00 -0.52 -0.05 0.00 3.14 0.00 0.00 58.73 61.30 3k6h h TYR 12 Cb 0.66 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3k6h h TYR 12 CO 0.00 1.37 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.63 3k6h h LEU 13 N 0.11 0.10 0.00 2.82 3.38 -1.39 0.29 115.31 120.62 3k6h h LEU 13 Ca -0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3k6h h LEU 13 Cb 1.70 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3k6h h LEU 13 CO 0.19 0.29 0.00 0.54 0.09 0.00 0.00 178.44 179.55 3k6h n ARG 14 N -4.28 0.70 0.00 1.13 1.74 -1.17 -4.15 116.66 110.64 3k6h n ARG 14 Ca -0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3k6h n ARG 14 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3k6h n ARG 14 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3k6h n VAL 15 N -1.13 0.00 -1.64 1.55 0.31 -0.98 -5.08 118.33 111.36 3k6h n VAL 15 Ca 0.19 0.00 -0.53 0.00 -0.01 0.00 0.00 64.34 63.99 3k6h n VAL 15 Cb 0.16 0.14 -0.06 0.00 -0.91 0.00 0.00 33.84 33.17 3k6h n VAL 15 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3k6h n ARG 16 N 0.00 1.32 -3.69 5.55 0.63 0.97 -4.95 116.66 116.49 3k6h n ARG 16 Ca 0.00 0.48 -0.12 0.00 -0.92 0.00 0.00 57.85 57.29 3k6h n ARG 16 Cb 0.00 -2.16 -0.12 0.00 0.45 0.00 0.00 32.46 30.63 3k6h n ARG 16 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3k6h s ARG 17 N 1.55 0.24 0.65 -0.14 6.06 -1.26 -5.05 118.95 121.01 3k6h s ARG 17 Ca 0.88 0.71 -0.18 0.00 -2.50 0.00 0.00 55.73 54.64 3k6h s ARG 17 Cb -0.94 -0.02 -0.01 0.00 0.06 0.00 0.00 34.95 34.04 3k6h s ARG 17 CO 0.51 -0.21 1.26 -1.12 -2.50 0.00 0.00 175.30 173.25 3k6h s SER 18 N 1.77 4.61 -0.14 -2.12 0.01 -1.26 -4.91 113.70 111.66 3k6h s SER 18 Ca -0.06 2.54 -0.03 0.00 1.31 0.00 0.00 55.95 59.72 3k6h s SER 18 Cb -0.11 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 3k6h s SER 18 CO -0.10 -1.99 -0.06 -0.89 0.41 0.00 0.00 173.24 170.61 3k6h s THR 19 N -1.53 3.74 0.54 1.44 2.01 -1.12 -4.94 115.64 115.78 3k6h s THR 19 Ca 0.80 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.17 3k6h s THR 19 Cb -0.35 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 3k6h s THR 19 CO 0.40 0.51 1.30 -2.84 -0.69 0.00 0.00 174.62 173.29 3k6h s PRO 20 N 0.23 3.22 0.35 4.92 0.02 -1.26 -3.76 135.00 138.72 3k6h s PRO 20 Ca -0.04 2.08 0.09 0.00 0.02 0.00 0.00 61.00 63.15 3k6h s PRO 20 Cb -0.14 -2.23 0.81 0.00 0.02 0.00 0.00 34.50 32.95 3k6h s PRO 20 CO 0.03 -1.08 1.85 0.00 -0.33 0.00 0.00 177.00 177.47 3k6h h ALA 21 N 1.47 1.82 -0.00 -1.55 0.00 -1.95 -1.30 119.26 117.75 3k6h h ALA 21 Ca -0.51 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k6h h ALA 21 Cb 1.29 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3k6h h ALA 21 CO 0.57 -0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.67 3k6h h LEU 22 N 0.71 0.01 0.00 0.00 -0.00 -1.92 -1.99 115.31 112.12 3k6h h LEU 22 Ca 0.48 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 3k6h h LEU 22 Cb 0.78 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 3k6h h LEU 22 CO -0.24 0.08 0.00 0.00 -0.00 0.00 0.00 178.44 178.28 3k6h n GLN 23 N -5.05 0.06 -3.03 1.13 6.02 -0.50 -4.62 117.38 111.38 3k6h n GLN 23 Ca -0.07 0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 3k6h n GLN 23 Cb 0.06 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 3k6h n GLN 23 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3k6h s LEU 24 N -2.19 4.36 0.00 1.08 2.96 -0.75 -4.44 118.68 119.71 3k6h s LEU 24 Ca 0.03 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3k6h s LEU 24 Cb 0.02 -2.85 0.03 0.00 0.50 0.00 0.00 46.19 43.89 3k6h s LEU 24 CO 0.03 -0.84 0.23 -1.20 -1.32 0.00 0.00 176.35 173.25 3k6h n SER 25 N 6.48 0.42 -4.90 3.68 7.64 0.82 -4.35 113.62 123.42 3k6h n SER 25 Ca 0.00 -1.33 -0.27 0.00 1.01 0.00 0.00 58.87 58.28 3k6h n SER 25 Cb 0.48 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 3k6h n SER 25 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3k6h s GLU 26 N -2.89 3.29 0.34 1.43 2.56 -1.26 -2.84 118.70 119.33 3k6h s GLU 26 Ca 0.16 -0.63 -0.15 0.00 0.00 0.00 0.00 54.97 54.35 3k6h s GLU 26 Cb -0.01 -2.90 -0.09 0.00 2.00 0.00 0.00 34.13 33.13 3k6h s GLU 26 CO 0.10 0.53 0.76 -1.25 -0.56 0.00 0.00 175.26 174.85 3k6h s PRO 27 N -3.02 4.01 0.00 4.30 0.04 -1.26 -4.75 135.00 134.32 3k6h s PRO 27 Ca 0.34 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.08 3k6h s PRO 27 Cb -0.11 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3k6h s PRO 27 CO 0.27 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.84 3k6h n GLY 28 N -0.48 -0.62 3.79 0.56 0.00 -1.26 -2.99 105.19 104.18 3k6h n GLY 28 Ca 0.04 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 3k6h n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k6h s PRO 29 N -0.10 2.85 0.59 1.61 0.05 -1.26 -4.94 135.00 133.80 3k6h s PRO 29 Ca 0.00 -0.89 -0.19 0.00 0.05 0.00 0.00 61.00 59.97 3k6h s PRO 29 Cb 0.00 -2.62 -0.04 0.00 0.05 0.00 0.00 34.50 31.90 3k6h s PRO 29 CO 0.00 0.48 1.19 -1.54 0.05 0.00 0.00 177.00 177.18 3k6h s SER 30 N -3.10 5.26 0.60 6.66 1.04 -1.26 -4.73 113.70 118.17 3k6h s SER 30 Ca 0.31 2.32 0.29 0.00 0.48 0.00 0.00 55.95 59.35 3k6h s SER 30 Cb -0.10 -2.59 1.23 0.00 0.10 0.00 0.00 66.02 64.65 3k6h s SER 30 CO 0.23 -1.54 1.59 0.50 0.98 0.00 0.00 173.24 175.00 3k6h h LYS 31 N 0.87 0.00 0.21 4.02 3.64 -1.99 0.24 116.57 123.57 3k6h h LYS 31 Ca -0.50 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.56 3k6h h LYS 31 Cb 1.29 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.13 3k6h h LYS 31 CO 0.55 0.00 -1.48 0.78 -2.27 0.00 0.00 179.45 177.03 3k6h h GLY 32 N 0.00 0.51 1.01 5.01 0.00 -1.99 -1.10 103.07 106.51 3k6h h GLY 32 Ca 0.39 -1.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 3k6h h GLY 32 CO -0.00 1.14 0.44 0.83 0.00 0.00 0.00 176.54 178.94 3k6h h GLU 33 N 0.03 0.99 -0.43 4.80 5.08 -1.21 -2.34 114.58 121.50 3k6h h GLU 33 Ca -0.28 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 3k6h h GLU 33 Cb 2.05 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 3k6h h GLU 33 CO 0.21 0.71 -0.08 0.82 -1.00 0.00 0.00 179.01 179.67 3k6h h ILE 34 N 1.00 1.25 0.00 3.13 2.04 -0.65 -0.94 117.51 123.34 3k6h h ILE 34 Ca 0.26 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 3k6h h ILE 34 Cb -0.03 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3k6h h ILE 34 CO -0.05 0.38 -0.26 -0.33 0.00 0.00 0.00 178.15 177.89 3k6h h GLU 35 N 0.69 0.00 0.09 2.37 5.08 -1.00 -2.50 114.58 119.32 3k6h h GLU 35 Ca 0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 3k6h h GLU 35 Cb 0.54 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.80 3k6h h GLU 35 CO 0.03 0.26 -1.17 1.49 -1.00 0.00 0.00 179.01 178.63 3k6h h GLU 36 N 0.00 0.46 -0.38 2.33 4.57 -0.82 -1.05 114.58 119.68 3k6h h GLU 36 Ca -0.00 -0.62 -0.02 0.00 -1.18 0.00 0.00 59.36 57.54 3k6h h GLU 36 Cb 0.58 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3k6h h GLU 36 CO 0.03 1.26 0.15 0.82 -1.18 0.00 0.00 179.01 180.09 3k6h h ILE 37 N 0.20 1.19 -0.08 2.32 2.04 -0.94 -2.68 117.51 119.56 3k6h h ILE 37 Ca -0.14 -0.58 -0.19 0.00 1.00 0.00 0.00 64.86 64.94 3k6h h ILE 37 Cb 1.84 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3k6h h ILE 37 CO 0.21 0.21 -0.75 -0.07 0.00 0.00 0.00 178.15 177.75 3k6h h LEU 38 N 0.47 0.54 -2.40 1.44 3.38 -1.50 -0.43 115.31 116.81 3k6h h LEU 38 Ca 0.13 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3k6h h LEU 38 Cb 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3k6h h LEU 38 CO -0.01 1.11 0.04 -0.09 0.09 0.00 0.00 178.44 179.59 3k6h h ARG 39 N 0.31 0.00 0.10 1.13 2.43 -1.14 -1.69 114.38 115.52 3k6h h ARG 39 Ca -0.04 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.78 3k6h h ARG 39 Cb 1.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 3k6h h ARG 39 CO 0.13 0.00 -1.95 1.28 -1.51 0.00 0.00 179.97 177.92 3k6h n LEU 40 N -3.86 2.32 -0.08 3.80 4.77 -1.01 -4.35 117.00 118.59 3k6h n LEU 40 Ca -0.02 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.14 3k6h n LEU 40 Cb 0.13 -0.88 0.11 0.00 -2.33 0.00 0.00 43.42 40.45 3k6h n LEU 40 CO 0.28 0.77 0.73 0.00 -1.33 0.00 0.00 177.39 177.84 3k6h h ALA 41 N 0.24 0.93 0.00 -1.18 0.00 -0.47 -2.81 119.26 115.97 3k6h h ALA 41 Ca -0.40 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3k6h h ALA 41 Cb 2.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3k6h h ALA 41 CO 0.09 0.61 0.00 1.33 0.00 0.00 0.00 179.25 181.28 3k6h n VAL 42 N -4.13 0.00 -2.51 0.00 0.24 -0.69 -3.73 118.33 107.52 3k6h n VAL 42 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3k6h n VAL 42 Cb 0.41 -0.25 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 3k6h n VAL 42 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k6h n ARG 43 N -0.55 4.71 -4.31 7.34 1.74 -1.06 -4.98 116.66 119.55 3k6h n ARG 43 Ca 0.01 -4.14 -0.24 0.00 -0.77 0.00 0.00 57.85 52.71 3k6h n ARG 43 Cb 0.01 -2.59 -0.08 0.00 -1.02 0.00 0.00 32.46 28.77 3k6h n ARG 43 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3k6h s VAL 44 N -2.38 3.28 0.23 1.55 -7.23 -1.24 -5.11 120.40 109.49 3k6h s VAL 44 Ca 0.41 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 3k6h s VAL 44 Cb 0.14 -2.72 -0.14 0.00 0.56 0.00 0.00 36.38 34.23 3k6h s VAL 44 CO -0.04 -0.31 1.39 -2.65 -0.31 0.00 0.00 175.10 173.18 3k6h n PRO 45 N -0.61 1.95 -3.21 4.82 -0.02 -1.26 -4.98 135.00 131.70 3k6h n PRO 45 Ca -0.07 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 3k6h n PRO 45 Cb 0.58 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3k6h n PRO 45 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3k6h s ASP 46 N 0.28 -0.90 -0.07 2.55 3.68 -1.26 -4.73 116.67 116.23 3k6h s ASP 46 Ca 0.69 0.05 -0.30 0.00 2.13 0.00 0.00 52.55 55.12 3k6h s ASP 46 Cb -0.67 1.71 -0.04 0.00 -1.45 0.00 0.00 42.92 42.48 3k6h s ASP 46 CO 0.49 -0.32 1.30 -2.28 0.13 0.00 0.00 175.17 174.50 3k6h s HIS 47 N 2.73 2.94 0.00 -5.34 5.65 -1.26 -2.24 115.29 117.76 3k6h s HIS 47 Ca 0.11 0.99 0.00 0.00 0.25 0.00 0.00 55.06 56.41 3k6h s HIS 47 Cb -0.11 -3.54 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 3k6h s HIS 47 CO -0.27 -1.88 0.00 0.41 -0.65 0.00 0.00 174.74 172.35 3k6h n GLY 48 N 3.55 0.52 3.53 1.59 0.00 -1.26 -4.49 105.19 108.63 3k6h n GLY 48 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3k6h n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k6h n LYS 49 N -2.00 -1.57 -0.01 1.61 5.02 -0.95 -4.93 118.16 115.32 3k6h n LYS 49 Ca 0.00 0.60 0.04 0.00 -2.02 0.00 0.00 58.31 56.93 3k6h n LYS 49 Cb 0.00 -4.73 -0.08 0.00 -0.02 0.00 0.00 35.03 30.20 3k6h n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k6h n LEU 50 N -3.85 0.00 -3.67 -0.35 4.77 -1.26 -5.04 117.00 107.60 3k6h n LEU 50 Ca -0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.64 3k6h n LEU 50 Cb 0.60 0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3k6h n LEU 50 CO 0.64 0.03 -0.07 0.00 -1.33 0.00 0.00 177.39 176.66 3k6h n ALA 51 N -1.94 -2.64 -0.53 -1.18 0.00 -1.26 -4.81 120.51 108.15 3k6h n ALA 51 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.13 3k6h n ALA 51 Cb 0.35 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 3k6h n ALA 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k6h n PRO 52 N -3.36 1.06 -3.99 0.00 -0.04 -1.26 -4.80 135.00 122.61 3k6h n PRO 52 Ca -0.16 -0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.13 3k6h n PRO 52 Cb 0.61 -1.08 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 3k6h n PRO 52 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k6h s TRP 53 N 0.10 0.45 -0.02 0.54 1.48 -1.26 -0.93 118.94 119.31 3k6h s TRP 53 Ca 0.05 -0.80 -0.21 0.00 -1.06 0.00 0.00 56.10 54.08 3k6h s TRP 53 Cb 0.02 -0.02 0.04 0.00 -1.16 0.00 0.00 33.47 32.36 3k6h s TRP 53 CO 0.00 -0.81 0.46 -0.98 -4.06 0.00 0.00 176.95 171.56 3k6h s ARG 54 N -4.00 0.85 0.10 3.25 1.70 -0.41 -4.87 118.95 115.56 3k6h s ARG 54 Ca 0.21 -0.06 0.08 0.00 -0.47 0.00 0.00 55.73 55.50 3k6h s ARG 54 Cb 0.02 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 3k6h s ARG 54 CO 0.04 -0.26 -0.18 -0.06 -1.08 0.00 0.00 175.30 173.77 3k6h s PHE 55 N -1.47 2.55 -0.20 5.89 0.40 -1.26 -0.97 117.98 122.92 3k6h s PHE 55 Ca -0.11 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 3k6h s PHE 55 Cb -0.03 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.18 3k6h s PHE 55 CO 0.05 0.35 0.01 0.08 0.70 0.00 0.00 175.22 176.42 3k6h s VAL 56 N -1.09 0.76 -0.24 -0.44 1.01 -0.36 -4.98 120.40 115.06 3k6h s VAL 56 Ca 0.17 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 3k6h s VAL 56 Cb -0.11 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3k6h s VAL 56 CO 0.09 -0.15 0.66 -0.69 0.00 0.00 0.00 175.10 175.01 3k6h s VAL 57 N 1.75 4.97 -0.25 2.92 1.01 -1.26 -1.10 120.40 128.44 3k6h s VAL 57 Ca -0.02 1.20 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 3k6h s VAL 57 Cb -0.17 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 3k6h s VAL 57 CO -0.07 0.02 -0.00 -0.31 0.00 0.00 0.00 175.10 174.74 3k6h s TYR 58 N 2.47 3.04 0.15 5.22 2.02 -0.41 -5.02 117.35 124.82 3k6h s TYR 58 Ca 0.28 -0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 55.87 3k6h s TYR 58 Cb -0.15 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.26 3k6h s TYR 58 CO 0.09 -0.56 0.33 -0.98 -1.57 0.00 0.00 175.55 172.85 3k6h s ARG 59 N 1.47 1.12 2.96 -0.62 1.70 -1.26 -1.82 118.95 122.51 3k6h s ARG 59 Ca 0.04 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.30 3k6h s ARG 59 Cb -0.15 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 3k6h s ARG 59 CO -0.01 -0.42 0.00 0.41 -1.08 0.00 0.00 175.30 174.19 3k6h n GLY 60 N -0.21 -0.45 0.27 3.88 0.00 -1.26 -3.91 105.19 103.51 3k6h n GLY 60 Ca -0.11 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 44.93 3k6h n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k6h h GLU 61 N 0.00 0.00 0.00 1.61 4.57 -2.00 -3.03 114.58 115.73 3k6h h GLU 61 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3k6h h GLU 61 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3k6h h GLU 61 CO 0.00 0.10 -0.07 1.49 -1.18 0.00 0.00 179.01 179.35 3k6h h GLU 62 N 0.00 0.00 -0.18 1.92 4.57 -1.99 -1.20 114.58 117.70 3k6h h GLU 62 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3k6h h GLU 62 Cb 0.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3k6h h GLU 62 CO 0.01 0.07 0.05 0.00 -1.18 0.00 0.00 179.01 177.97 3k6h h ARG 63 N 0.00 0.29 -0.85 1.92 3.08 -1.75 -1.54 114.38 115.53 3k6h h ARG 63 Ca -0.00 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.03 3k6h h ARG 63 Cb 0.37 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3k6h h ARG 63 CO 0.01 0.41 0.55 0.28 -1.07 0.00 0.00 179.97 180.15 3k6h h VAL 64 N 0.12 1.10 -0.26 2.04 2.07 -1.41 -0.66 116.25 119.25 3k6h h VAL 64 Ca 0.06 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 67.06 3k6h h VAL 64 Cb 0.24 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3k6h h VAL 64 CO -0.00 0.18 -0.51 -0.09 0.02 0.00 0.00 177.57 177.17 3k6h h ARG 65 N 1.00 0.76 0.32 1.57 2.43 -1.28 -2.93 114.38 116.24 3k6h h ARG 65 Ca 0.35 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3k6h h ARG 65 Cb 0.11 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3k6h h ARG 65 CO -0.11 1.09 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.21 3k6h h LEU 66 N 0.59 -0.36 -1.35 3.80 3.38 -0.82 -2.18 115.31 118.37 3k6h h LEU 66 Ca 0.02 -0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.03 3k6h h LEU 66 Cb 1.09 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3k6h h LEU 66 CO 0.11 0.04 0.94 0.28 0.09 0.00 0.00 178.44 179.90 3k6h h SER 67 N -0.82 0.00 0.22 -0.43 0.02 -1.19 0.60 113.55 111.94 3k6h h SER 67 Ca -0.04 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.56 3k6h h SER 67 Cb 0.52 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.08 3k6h h SER 67 CO 0.07 0.00 -1.66 -0.33 -1.14 0.00 0.00 176.83 173.78 3k6h h GLU 68 N 0.00 0.46 -0.15 3.45 5.08 -1.30 -1.92 114.58 120.20 3k6h h GLU 68 Ca 0.37 -0.78 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3k6h h GLU 68 Cb 2.24 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 31.77 3k6h h GLU 68 CO -0.00 1.37 0.11 0.00 -1.00 0.00 0.00 179.01 179.49 3k6h h ALA 69 N 0.13 2.14 0.04 3.43 0.00 0.69 0.13 119.26 125.82 3k6h h ALA 69 Ca -0.31 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 3k6h h ALA 69 Cb 2.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 3k6h h ALA 69 CO 0.22 -0.19 -1.18 0.00 0.00 0.00 0.00 179.25 178.10 3k6h h ALA 70 N 1.92 0.34 -0.16 0.00 0.00 -0.77 -2.41 119.26 118.19 3k6h h ALA 70 Ca 0.07 -0.99 -0.07 0.00 0.00 0.00 0.00 54.91 53.92 3k6h h ALA 70 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k6h h ALA 70 CO -0.00 1.23 -0.18 1.25 0.00 0.00 0.00 179.25 181.55 3k6h h LEU 71 N 0.02 0.43 0.04 0.00 7.12 -0.66 -2.21 115.31 120.05 3k6h h LEU 71 Ca -0.09 -0.49 0.00 0.00 0.13 0.00 0.00 57.88 57.43 3k6h h LEU 71 Cb 1.86 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.86 3k6h h LEU 71 CO 0.14 0.84 -0.10 -0.09 -0.13 0.00 0.00 178.44 179.10 3k6h h ARG 72 N 0.03 -0.15 -1.01 1.25 2.43 -0.80 -2.30 114.38 113.82 3k6h h ARG 72 Ca 0.02 0.01 0.29 0.00 -0.81 0.00 0.00 59.98 59.49 3k6h h ARG 72 Cb 0.72 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.18 3k6h h ARG 72 CO 0.04 -0.10 0.60 0.82 -1.51 0.00 0.00 179.97 179.82 3k6h h ILE 73 N -0.16 0.42 -0.59 1.20 1.08 -1.52 -1.62 117.51 116.32 3k6h h ILE 73 Ca -0.00 -0.15 -0.09 0.00 -0.39 0.00 0.00 64.86 64.22 3k6h h ILE 73 Cb 0.15 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.82 3k6h h ILE 73 CO -0.04 0.08 0.01 0.00 -0.69 0.00 0.00 178.15 177.51 3k6h h ALA 74 N 1.77 0.89 0.06 1.87 0.00 -1.03 -0.72 119.26 122.10 3k6h h ALA 74 Ca 0.69 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 3k6h h ALA 74 Cb 1.48 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.06 3k6h h ALA 74 CO -0.52 0.66 -0.58 -0.07 0.00 0.00 0.00 179.25 178.74 3k6h h LEU 75 N 0.95 0.41 -2.27 0.00 3.38 -0.77 -1.05 115.31 115.96 3k6h h LEU 75 Ca 0.17 -0.86 0.04 0.00 0.09 0.00 0.00 57.88 57.33 3k6h h LEU 75 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3k6h h LEU 75 CO 0.03 1.23 0.21 -0.33 0.09 0.00 0.00 178.44 179.67 3k6h h GLU 76 N -0.35 0.00 0.24 1.13 5.08 -1.38 -1.64 114.58 117.65 3k6h h GLU 76 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3k6h h GLU 76 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3k6h h GLU 76 CO 0.11 0.00 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.79 3k6h h LYS 77 N 0.00 -0.31 -4.54 2.33 1.63 -0.99 -3.42 116.57 111.27 3k6h h LYS 77 Ca 0.07 0.02 -0.70 0.00 -0.85 0.00 0.00 60.65 59.19 3k6h h LYS 77 Cb 0.49 0.07 -0.31 0.00 -0.60 0.00 0.00 32.23 31.88 3k6h h LYS 77 CO -0.00 -0.20 -0.55 1.21 -3.45 0.00 0.00 179.45 176.45 3k6h s ASN 78 N -4.04 5.34 0.00 4.20 2.47 -0.41 -5.04 114.94 117.46 3k6h s ASN 78 Ca -0.05 -1.62 0.00 0.00 0.42 0.00 0.00 52.86 51.62 3k6h s ASN 78 Cb 0.00 -1.87 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 3k6h s ASN 78 CO 0.14 -0.47 0.19 -2.65 -3.72 0.00 0.00 177.10 170.58 3k6h n PRO 79 N 4.74 0.00 -3.18 0.43 -0.02 -0.89 -4.32 135.00 131.76 3k6h n PRO 79 Ca -0.08 0.19 0.03 0.00 -2.02 0.00 0.00 63.50 61.62 3k6h n PRO 79 Cb 0.43 -0.32 -0.01 0.00 -0.02 0.00 0.00 33.50 33.57 3k6h n PRO 79 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3k6h s ASP 80 N -1.64 -1.30 0.40 2.55 2.15 -1.26 -4.60 116.67 112.97 3k6h s ASP 80 Ca 0.00 0.88 0.04 0.00 0.43 0.00 0.00 52.55 53.90 3k6h s ASP 80 Cb 0.00 2.13 -0.03 0.00 -0.30 0.00 0.00 42.92 44.72 3k6h s ASP 80 CO 0.00 -0.26 0.13 -0.76 -0.17 0.00 0.00 175.17 174.11 3k6h s LEU 81 N 2.85 1.99 0.00 -1.34 1.43 -1.26 -5.07 118.68 117.28 3k6h s LEU 81 Ca 0.20 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 3k6h s LEU 81 Cb -0.15 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 45.96 3k6h s LEU 81 CO -0.21 -0.92 0.00 0.47 0.23 0.00 0.00 176.35 175.93 3k6h n ASP 82 N -1.27 0.00 0.08 2.29 9.92 -1.26 -4.75 116.55 121.56 3k6h n ASP 82 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 3k6h n ASP 82 Cb 0.65 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.45 3k6h n ASP 82 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 3k6h h LEU 83 N 0.00 0.31 0.44 0.64 -0.00 -1.99 -3.07 115.31 111.64 3k6h h LEU 83 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 3k6h h LEU 83 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 3k6h h LEU 83 CO 0.00 0.51 -0.28 -0.61 -0.00 0.00 0.00 178.44 178.06 3k6h h GLN 84 N 0.30 -0.66 -0.55 0.17 4.15 -2.02 -1.83 115.11 114.67 3k6h h GLN 84 Ca 0.05 0.04 0.16 0.00 0.77 0.00 0.00 58.65 59.68 3k6h h GLN 84 Cb 0.49 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 3k6h h GLN 84 CO 0.03 -0.44 0.41 1.96 -1.93 0.00 0.00 178.83 178.86 3k6h h GLN 85 N -0.68 0.00 0.00 1.69 4.20 -1.88 0.61 115.11 119.05 3k6h h GLN 85 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3k6h h GLN 85 Cb 0.56 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3k6h h GLN 85 CO 0.04 0.00 -0.08 1.96 -0.67 0.00 0.00 178.83 180.09 3k6h h GLN 86 N 0.00 0.00 -0.07 1.46 4.20 -1.24 -2.28 115.11 117.18 3k6h h GLN 86 Ca 0.26 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.75 3k6h h GLN 86 Cb 1.08 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.87 3k6h h GLN 86 CO -0.00 0.08 -0.82 1.49 -0.67 0.00 0.00 178.83 178.90 3k6h h GLU 87 N 0.00 0.68 -0.83 1.46 4.57 -0.71 -2.71 114.58 117.04 3k6h h GLU 87 Ca -0.00 -0.64 0.20 0.00 -1.18 0.00 0.00 59.36 57.74 3k6h h GLU 87 Cb 0.50 0.16 -0.13 0.00 -0.16 0.00 0.00 28.75 29.12 3k6h h GLU 87 CO 0.01 1.24 0.22 0.00 -1.18 0.00 0.00 179.01 179.30 3k6h h ALA 88 N 0.45 1.16 -0.03 2.92 0.00 -1.39 0.75 119.26 123.12 3k6h h ALA 88 Ca -0.08 0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3k6h h ALA 88 Cb 1.48 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3k6h h ALA 88 CO 0.17 -0.40 -0.71 0.93 0.00 0.00 0.00 179.25 179.24 3k6h h GLU 89 N 0.25 0.18 -0.29 0.00 4.39 -1.53 0.86 114.58 118.44 3k6h h GLU 89 Ca 0.50 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.95 3k6h h GLU 89 Cb 0.94 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 3k6h h GLU 89 CO -0.59 0.81 -0.22 -0.09 -1.16 0.00 0.00 179.01 177.76 3k6h h ARG 90 N 0.12 0.55 -0.46 2.33 2.43 -0.83 -3.12 114.38 115.40 3k6h h ARG 90 Ca -0.02 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 58.79 3k6h h ARG 90 Cb 1.26 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.68 3k6h h ARG 90 CO 0.11 0.74 0.09 0.25 -1.51 0.00 0.00 179.97 179.65 3k6h n THR 91 N -4.13 2.61 0.23 0.20 -2.24 0.12 -4.65 114.28 106.41 3k6h n THR 91 Ca -0.00 -2.13 0.11 0.00 -2.27 0.00 0.00 64.05 59.76 3k6h n THR 91 Cb 0.40 -0.32 0.70 0.00 -2.10 0.00 0.00 70.33 69.01 3k6h n THR 91 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3k6h h ARG 92 N 1.65 0.00 0.00 -0.78 2.47 -0.76 -3.16 114.38 113.81 3k6h h ARG 92 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3k6h h ARG 92 Cb 1.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.16 3k6h h ARG 92 CO 0.47 0.00 0.00 1.19 0.56 0.00 0.00 179.97 182.19 3k6h n PHE 93 N -4.37 0.00 0.10 3.04 3.72 -1.26 -4.71 117.46 113.98 3k6h n PHE 93 Ca -0.01 -0.16 0.04 0.00 -0.05 0.00 0.00 57.45 57.27 3k6h n PHE 93 Cb 0.17 -0.02 0.07 0.00 -0.94 0.00 0.00 39.48 38.77 3k6h n PHE 93 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k6h n THR 94 N -0.16 0.50 0.09 4.37 -2.24 -1.19 -4.54 114.28 111.11 3k6h n THR 94 Ca 0.00 -0.75 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 3k6h n THR 94 Cb 0.18 0.83 0.15 0.00 -2.10 0.00 0.00 70.33 69.39 3k6h n THR 94 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3k6h h ARG 95 N 1.54 0.22 -6.23 -0.78 3.08 -1.84 -3.43 114.38 106.94 3k6h h ARG 95 Ca 0.00 -0.14 -0.57 0.00 0.07 0.00 0.00 59.98 59.34 3k6h h ARG 95 Cb 0.51 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.47 3k6h h ARG 95 CO 0.00 0.71 -0.66 0.00 -1.07 0.00 0.00 179.97 178.95 3k6h s ALA 96 N -3.86 3.11 0.28 0.04 0.00 -1.26 -4.56 121.76 115.50 3k6h s ALA 96 Ca -0.04 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.27 3k6h s ALA 96 Cb 0.12 -0.73 0.39 0.00 0.00 0.00 0.00 23.12 22.90 3k6h s ALA 96 CO 0.79 0.30 1.79 -1.35 0.00 0.00 0.00 175.76 177.28 3k6h h PRO 97 N 2.06 0.73 -4.83 0.00 0.11 -1.77 -3.45 132.00 124.85 3k6h h PRO 97 Ca -0.44 -0.19 -0.34 0.00 0.11 0.00 0.00 66.00 65.15 3k6h h PRO 97 Cb 1.24 -0.09 -0.23 0.00 0.11 0.00 0.00 31.00 32.04 3k6h h PRO 97 CO 0.60 0.74 -0.76 0.08 -0.21 0.00 0.00 178.00 178.45 3k6h s VAL 98 N -4.98 0.74 -0.15 3.15 1.01 -1.11 -4.26 120.40 114.81 3k6h s VAL 98 Ca -0.09 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 3k6h s VAL 98 Cb 0.15 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.84 3k6h s VAL 98 CO 0.80 -0.24 0.07 -0.69 0.00 0.00 0.00 175.10 175.04 3k6h s VAL 99 N -1.14 0.08 -0.27 2.92 1.01 -0.76 -0.67 120.40 121.58 3k6h s VAL 99 Ca -0.05 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3k6h s VAL 99 Cb -0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3k6h s VAL 99 CO 0.01 -0.14 0.50 -0.63 0.00 0.00 0.00 175.10 174.84 3k6h s ILE 100 N 2.07 5.07 -0.14 2.22 1.01 -0.28 -1.29 121.20 129.86 3k6h s ILE 100 Ca 0.02 0.83 -0.22 0.00 0.00 0.00 0.00 60.65 61.28 3k6h s ILE 100 Cb -0.15 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3k6h s ILE 100 CO -0.07 0.07 0.65 0.00 0.00 0.00 0.00 174.94 175.59 3k6h s ALA 101 N 2.30 3.46 -0.51 9.38 0.00 -0.26 -0.36 121.76 135.77 3k6h s ALA 101 Ca 0.21 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 3k6h s ALA 101 Cb -0.16 -2.95 0.10 0.00 0.00 0.00 0.00 23.12 20.12 3k6h s ALA 101 CO 0.09 -0.33 0.45 0.08 0.00 0.00 0.00 175.76 176.05 3k6h s VAL 102 N 1.37 5.20 -0.12 0.00 1.01 0.15 -1.22 120.40 126.79 3k6h s VAL 102 Ca 0.32 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 3k6h s VAL 102 Cb -0.16 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3k6h s VAL 102 CO 0.13 -0.73 0.54 -0.63 0.00 0.00 0.00 175.10 174.41 3k6h s ILE 103 N 1.62 5.14 0.21 2.22 1.09 -0.14 -0.13 121.20 131.20 3k6h s ILE 103 Ca 0.04 1.06 -0.30 0.00 -1.10 0.00 0.00 60.65 60.35 3k6h s ILE 103 Cb -0.27 -3.87 -0.08 0.00 -1.06 0.00 0.00 42.46 37.17 3k6h s ILE 103 CO 0.05 0.28 0.99 -0.55 -0.10 0.00 0.00 174.94 175.60 3k6h s SER 104 N 0.76 7.51 -0.28 3.58 0.15 0.12 -1.29 113.70 124.26 3k6h s SER 104 Ca 0.28 1.99 0.14 0.00 0.70 0.00 0.00 55.95 59.06 3k6h s SER 104 Cb -0.16 -2.61 0.48 0.00 -1.71 0.00 0.00 66.02 62.03 3k6h s SER 104 CO 0.12 0.02 1.16 0.35 1.20 0.00 0.00 173.24 176.08 3k6h n THR 105 N 1.80 1.99 -2.46 6.45 -2.24 -0.10 -2.49 114.28 117.23 3k6h n THR 105 Ca -0.00 -3.66 -0.39 0.00 -2.27 0.00 0.00 64.05 57.72 3k6h n THR 105 Cb 0.47 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 3k6h n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k6h s ALA 106 N -3.68 3.33 0.18 6.98 0.00 -1.24 -4.77 121.76 122.56 3k6h s ALA 106 Ca 0.41 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 3k6h s ALA 106 Cb 0.37 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 20.20 3k6h s ALA 106 CO 0.01 -0.22 0.55 -1.59 0.00 0.00 0.00 175.76 174.51 3k6h s LYS 107 N -1.72 1.35 -0.24 0.00 -2.85 -1.26 -4.89 119.74 110.13 3k6h s LYS 107 Ca 0.48 -0.74 -0.43 0.00 -1.00 0.00 0.00 55.97 54.28 3k6h s LYS 107 Cb -0.30 0.54 -0.19 0.00 -2.06 0.00 0.00 37.83 35.82 3k6h s LYS 107 CO 0.39 -0.58 1.42 -2.30 0.10 0.00 0.00 175.35 174.38 3k6h n PRO 108 N -0.35 0.29 -4.30 1.78 -0.02 -1.26 -4.72 135.00 126.41 3k6h n PRO 108 Ca -0.12 0.10 -0.20 0.00 -2.02 0.00 0.00 63.50 61.26 3k6h n PRO 108 Cb 0.63 -1.65 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 3k6h n PRO 108 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3k6h s HIS 109 N 1.81 1.67 -1.03 6.00 2.46 -1.24 -5.04 115.29 119.92 3k6h s HIS 109 Ca 0.97 -0.51 0.20 0.00 0.47 0.00 0.00 55.06 56.19 3k6h s HIS 109 Cb -1.30 -0.84 0.85 0.00 -0.13 0.00 0.00 32.58 31.15 3k6h s HIS 109 CO 0.68 0.27 1.63 1.97 -2.47 0.00 0.00 174.74 176.81 3k6h n PHE 110 N 0.32 0.00 0.00 3.88 1.16 -1.26 -4.06 117.46 117.50 3k6h n PHE 110 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.44 3k6h n PHE 110 Cb 0.57 -0.49 0.00 0.00 -1.61 0.00 0.00 39.48 37.96 3k6h n PHE 110 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 3k6h n LYS 111 N -1.49 2.32 -3.95 3.97 4.81 -1.26 -5.08 118.16 117.49 3k6h n LYS 111 Ca 0.05 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.14 3k6h n LYS 111 Cb 0.22 -0.42 -0.10 0.00 0.02 0.00 0.00 35.03 34.75 3k6h n LYS 111 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k6h s ILE 112 N -0.53 4.70 0.27 3.15 -1.09 -1.26 -5.08 121.20 121.35 3k6h s ILE 112 Ca 0.00 -0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 3k6h s ILE 112 Cb 0.00 -3.14 -0.09 0.00 -1.58 0.00 0.00 42.46 37.65 3k6h s ILE 112 CO 0.00 0.43 1.19 -2.84 -1.23 0.00 0.00 174.94 172.48 3k6h s PRO 113 N 0.68 4.52 0.40 2.79 0.02 -1.26 -3.60 135.00 138.54 3k6h s PRO 113 Ca 0.03 1.94 0.26 0.00 0.02 0.00 0.00 61.00 63.26 3k6h s PRO 113 Cb -0.13 -3.17 1.40 0.00 0.02 0.00 0.00 34.50 32.62 3k6h s PRO 113 CO 0.02 0.01 1.78 0.93 -0.33 0.00 0.00 177.00 179.41 3k6h h GLU 114 N 4.11 0.00 -0.12 5.54 5.08 -1.95 0.11 114.58 127.35 3k6h h GLU 114 Ca -0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 3k6h h GLU 114 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3k6h h GLU 114 CO 0.69 0.00 -0.00 2.35 -1.00 0.00 0.00 179.01 181.05 3k6h h TRP 115 N 0.00 0.24 0.00 4.33 2.91 -1.98 -1.18 115.95 120.27 3k6h h TRP 115 Ca 0.00 -0.04 -0.09 0.00 1.13 0.00 0.00 58.89 59.89 3k6h h TRP 115 Cb 0.06 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 3k6h h TRP 115 CO 0.00 0.46 -0.42 0.93 -1.03 0.00 0.00 178.44 178.38 3k6h h GLU 116 N -0.05 0.00 0.00 2.65 5.08 -1.37 -2.23 114.58 118.66 3k6h h GLU 116 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3k6h h GLU 116 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3k6h h GLU 116 CO 0.01 0.42 -0.20 1.96 -1.00 0.00 0.00 179.01 180.20 3k6h h GLN 117 N 0.00 0.00 -1.36 2.33 4.20 -1.36 -2.85 115.11 116.08 3k6h h GLN 117 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3k6h h GLN 117 Cb 0.84 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.56 3k6h h GLN 117 CO 0.05 0.20 0.15 0.28 -0.67 0.00 0.00 178.83 178.84 3k6h n VAL 118 N -3.20 1.83 0.00 -0.54 0.31 -0.46 -3.33 118.33 112.94 3k6h n VAL 118 Ca 0.02 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 3k6h n VAL 118 Cb 0.54 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3k6h n VAL 118 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3k6h n SER 120 N 0.55 0.00 0.20 4.52 2.88 -1.08 -1.55 113.62 119.14 3k6h n SER 120 Ca 0.12 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.70 3k6h n SER 120 Cb 0.64 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.56 3k6h n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k6h h ALA 121 N 0.00 1.60 -0.32 -1.46 0.00 -1.86 0.41 119.26 117.64 3k6h h ALA 121 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k6h h ALA 121 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k6h h ALA 121 CO 0.00 0.30 0.20 0.78 0.00 0.00 0.00 179.25 180.53 3k6h h GLY 122 N 0.71 0.45 1.58 0.00 0.00 -1.60 -2.60 103.07 101.61 3k6h h GLY 122 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 46.94 3k6h h GLY 122 CO 0.03 0.18 -0.87 0.00 0.00 0.00 0.00 176.54 175.88 3k6h h ALA 123 N 1.09 0.45 0.00 3.60 0.00 -1.49 -3.07 119.26 119.85 3k6h h ALA 123 Ca 0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3k6h h ALA 123 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k6h h ALA 123 CO -0.02 0.81 -0.20 -0.24 0.00 0.00 0.00 179.25 179.60 3k6h h VAL 124 N 0.23 0.65 -0.14 0.00 3.04 -0.19 -1.56 116.25 118.28 3k6h h VAL 124 Ca -0.06 -0.87 -0.16 0.00 -1.01 0.00 0.00 66.70 64.60 3k6h h VAL 124 Cb 1.48 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 32.31 3k6h h VAL 124 CO 0.15 0.19 -0.59 0.00 -1.01 0.00 0.00 177.57 176.31 3k6h h LEU 126 N 0.35 0.60 -2.27 0.00 5.85 -1.47 -3.09 115.31 115.28 3k6h h LEU 126 Ca -0.00 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3k6h h LEU 126 Cb 1.12 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3k6h h LEU 126 CO 0.10 1.25 -0.03 -1.13 -0.34 0.00 0.00 178.44 178.30 3k6h h ASN 127 N 0.28 0.00 -0.02 1.25 -1.24 -1.23 0.36 115.58 114.98 3k6h h ASN 127 Ca -0.08 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.78 3k6h h ASN 127 Cb 1.55 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.61 3k6h h ASN 127 CO 0.16 0.03 -0.60 0.58 -1.29 0.00 0.00 177.43 176.32 3k6h h VAL 128 N 0.00 1.41 -0.53 2.57 2.07 -1.44 -1.25 116.25 119.08 3k6h h VAL 128 Ca -0.00 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 3k6h h VAL 128 Cb 0.08 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3k6h h VAL 128 CO 0.00 0.60 0.20 0.40 0.02 0.00 0.00 177.57 178.79 3k6h h ILE 129 N -0.04 1.22 -0.55 4.57 2.04 -1.24 0.64 117.51 124.15 3k6h h ILE 129 Ca -0.07 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.13 3k6h h ILE 129 Cb 1.29 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3k6h h ILE 129 CO 0.12 0.27 0.29 -0.26 0.00 0.00 0.00 178.15 178.57 3k6h h PHE 130 N 0.72 0.54 -0.09 1.37 0.04 -0.38 -0.97 116.94 118.17 3k6h h PHE 130 Ca 0.17 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.83 3k6h h PHE 130 Cb 0.22 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3k6h h PHE 130 CO 0.01 0.26 -0.56 0.00 -0.60 0.00 0.00 178.31 177.42 3k6h h ALA 131 N 1.29 0.89 -0.08 2.45 0.00 -0.90 -2.09 119.26 120.82 3k6h h ALA 131 Ca 0.24 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3k6h h ALA 131 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k6h h ALA 131 CO -0.16 0.70 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 3k6h h ALA 132 N 1.21 0.11 -0.65 0.00 0.00 -0.63 -1.47 119.26 117.84 3k6h h ALA 132 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3k6h h ALA 132 Cb 1.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3k6h h ALA 132 CO 0.09 -0.11 0.33 -0.91 0.00 0.00 0.00 179.25 178.64 3k6h h ASN 133 N -0.21 0.84 0.56 0.00 2.35 -0.92 0.15 115.58 118.34 3k6h h ASN 133 Ca 0.02 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3k6h h ASN 133 Cb 0.51 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3k6h h ASN 133 CO 0.01 0.72 0.00 0.00 -1.65 0.00 0.00 177.43 176.51 3k6h h ALA 134 N 1.15 1.00 -0.27 -0.83 0.00 -1.33 -2.32 119.26 116.66 3k6h h ALA 134 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3k6h h ALA 134 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k6h h ALA 134 CO -0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.65 3k6h n SER 135 N -2.82 3.27 0.00 0.00 7.64 -0.56 -4.83 113.62 116.32 3k6h n SER 135 Ca -0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 3k6h n SER 135 Cb 0.19 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3k6h n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k6h n GLY 136 N 1.40 0.66 3.61 0.23 0.00 -0.87 -4.93 105.19 105.29 3k6h n GLY 136 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3k6h n GLY 136 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k6h s PHE 137 N -2.00 2.66 0.13 1.61 0.08 0.44 -4.90 117.98 116.00 3k6h s PHE 137 Ca 0.00 -0.22 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 3k6h s PHE 137 Cb 0.00 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 3k6h s PHE 137 CO 0.00 0.59 0.33 0.00 -0.10 0.00 0.00 175.22 176.05 3k6h s ALA 138 N -2.14 3.86 0.02 5.36 0.00 0.63 -2.60 121.76 126.88 3k6h s ALA 138 Ca 0.29 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3k6h s ALA 138 Cb -0.07 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 3k6h s ALA 138 CO 0.18 0.68 -0.03 0.00 0.00 0.00 0.00 175.76 176.59 3k6h s ALA 139 N -1.65 0.14 -0.05 0.00 0.00 -1.26 -1.66 121.76 117.28 3k6h s ALA 139 Ca 0.39 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.91 3k6h s ALA 139 Cb -0.12 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3k6h s ALA 139 CO 0.26 -0.11 -0.18 1.21 0.00 0.00 0.00 175.76 176.94 3k6h s ASN 140 N -1.15 2.29 -0.45 0.00 3.04 -0.59 -2.79 114.94 115.30 3k6h s ASN 140 Ca -0.12 -0.38 -0.10 0.00 0.04 0.00 0.00 52.86 52.31 3k6h s ASN 140 Cb -0.08 -0.69 0.10 0.00 -1.54 0.00 0.00 41.25 39.04 3k6h s ASN 140 CO -0.01 0.16 0.32 0.86 -3.04 0.00 0.00 177.10 175.38 3k6h s TRP 141 N 0.08 3.38 0.39 0.43 -0.11 -1.26 -1.01 118.94 120.84 3k6h s TRP 141 Ca -0.06 -1.68 0.08 0.00 1.22 0.00 0.00 56.10 55.66 3k6h s TRP 141 Cb -0.12 -3.27 -0.03 0.00 -1.50 0.00 0.00 33.47 28.54 3k6h s TRP 141 CO 0.03 -0.93 0.27 -0.51 -4.62 0.00 0.00 176.95 171.19 3k6h s LEU 142 N 1.41 3.30 -0.38 5.86 2.01 0.06 -4.94 118.68 125.99 3k6h s LEU 142 Ca 0.04 -0.83 0.06 0.00 0.01 0.00 0.00 54.13 53.41 3k6h s LEU 142 Cb -0.25 -1.82 0.17 0.00 0.01 0.00 0.00 46.19 44.30 3k6h s LEU 142 CO 0.01 -0.53 0.52 0.42 1.01 0.00 0.00 176.35 177.78 3k6h s THR 143 N -2.49 -0.72 0.00 5.49 -4.23 -1.26 -0.29 115.64 112.14 3k6h s THR 143 Ca 0.43 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 3k6h s THR 143 Cb -0.01 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.47 3k6h s THR 143 CO 0.25 -0.24 0.00 -0.62 -0.54 0.00 0.00 174.62 173.47 3k6h n GLU 144 N 4.45 0.08 -0.03 3.99 4.71 -1.26 -4.77 120.64 127.81 3k6h n GLU 144 Ca 0.10 0.00 0.24 0.00 -0.01 0.00 0.00 57.16 57.49 3k6h n GLU 144 Cb 0.52 0.00 0.72 0.00 -1.01 0.00 0.00 31.44 31.67 3k6h n GLU 144 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 177.13 177.33 3k6h h TRP 145 N -0.92 0.00 -0.05 -0.32 5.08 -2.01 0.89 115.95 118.61 3k6h h TRP 145 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 3k6h h TRP 145 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3k6h h TRP 145 CO 0.00 0.00 0.41 -0.07 -1.28 0.00 0.00 178.44 177.50 3k6h h LEU 146 N 0.00 0.00 -0.32 0.11 3.38 -1.91 0.35 115.31 116.92 3k6h h LEU 146 Ca 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3k6h h LEU 146 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3k6h h LEU 146 CO -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.32 3k6h h ALA 147 N 1.22 0.89 0.00 1.53 0.00 -1.11 -3.39 119.26 118.40 3k6h h ALA 147 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k6h h ALA 147 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3k6h h ALA 147 CO -0.00 0.25 -0.97 1.19 0.00 0.00 0.00 179.25 179.72 3k6h n PHE 148 N -3.19 0.00 -1.60 0.00 3.72 0.93 -4.48 117.46 112.85 3k6h n PHE 148 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 3k6h n PHE 148 Cb 0.56 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.07 3k6h n PHE 148 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3k6h n ASP 149 N -2.04 3.23 0.28 4.37 4.64 0.45 -4.86 116.55 122.62 3k6h n ASP 149 Ca 0.00 0.21 0.15 0.00 -1.38 0.00 0.00 54.79 53.77 3k6h n ASP 149 Cb 0.49 -1.55 0.81 0.00 -1.04 0.00 0.00 41.12 39.83 3k6h n ASP 149 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3k6h h PRO 150 N 15.01 0.00 0.00 -0.67 0.11 -1.93 -0.96 132.00 143.56 3k6h h PRO 150 Ca -0.41 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 3k6h h PRO 150 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3k6h h PRO 150 CO 0.96 0.08 -0.31 0.00 -0.21 0.00 0.00 178.00 178.51 3k6h h ALA 151 N 1.92 0.93 0.10 -0.75 0.00 -1.99 -2.94 119.26 116.53 3k6h h ALA 151 Ca -0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 54.91 54.28 3k6h h ALA 151 Cb 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3k6h h ALA 151 CO 0.01 0.39 -1.95 0.34 0.00 0.00 0.00 179.25 178.04 3k6h n PHE 152 N -3.37 1.18 0.13 0.00 -0.00 -0.43 -3.86 117.46 111.11 3k6h n PHE 152 Ca 0.01 0.28 0.05 0.00 -0.00 0.00 0.00 57.45 57.79 3k6h n PHE 152 Cb 0.52 -1.17 0.50 0.00 -0.00 0.00 0.00 39.48 39.34 3k6h n PHE 152 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3k6h h LEU 153 N 0.06 0.23 -0.59 -2.13 3.38 -1.43 -1.31 115.31 113.52 3k6h h LEU 153 Ca -0.40 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 3k6h h LEU 153 Cb 2.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 3k6h h LEU 153 CO 0.08 0.21 -0.56 0.00 0.09 0.00 0.00 178.44 178.26 3k6h h ALA 154 N 1.83 0.78 0.00 1.53 0.00 -1.68 -2.44 119.26 119.28 3k6h h ALA 154 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3k6h h ALA 154 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3k6h h ALA 154 CO -0.01 0.70 0.00 -1.91 0.00 0.00 0.00 179.25 178.03 3k6h n GLU 155 N -3.93 0.16 0.00 0.00 4.07 -0.51 -3.20 120.64 117.22 3k6h n GLU 155 Ca -0.03 0.32 0.01 0.00 -0.06 0.00 0.00 57.16 57.40 3k6h n GLU 155 Cb 0.60 -1.77 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 3k6h n GLU 155 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 3k6h n ILE 156 N -2.06 0.00 -0.21 6.31 -5.35 -1.08 -5.03 119.36 111.94 3k6h n ILE 156 Ca 0.03 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3k6h n ILE 156 Cb 0.26 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 3k6h n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k6h n GLY 157 N 0.13 0.80 3.67 3.28 0.00 -0.95 -5.05 105.19 107.06 3k6h n GLY 157 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3k6h n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k6h s VAL 158 N -2.14 4.94 0.00 1.61 0.11 -1.03 -5.04 120.40 118.85 3k6h s VAL 158 Ca 0.00 1.45 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 3k6h s VAL 158 Cb 0.00 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 3k6h s VAL 158 CO 0.00 0.07 0.00 -1.54 -3.33 0.00 0.00 175.10 170.30 3k6h n SER 159 N 5.07 -0.02 0.07 3.54 3.41 -1.26 -4.39 113.62 120.03 3k6h n SER 159 Ca 0.02 -0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 3k6h n SER 159 Cb 0.49 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 3k6h n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k6h h ALA 160 N -2.00 0.30 0.00 7.33 0.00 -1.98 -3.30 119.26 119.61 3k6h h ALA 160 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3k6h h ALA 160 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3k6h h ALA 160 CO 0.00 1.19 0.00 -1.91 0.00 0.00 0.00 179.25 178.53 3k6h n GLU 161 N -3.38 0.83 -4.29 0.00 2.13 -1.26 -4.80 120.64 109.86 3k6h n GLU 161 Ca -0.04 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.58 3k6h n GLU 161 Cb 0.97 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 31.06 3k6h n GLU 161 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3k6h s GLU 162 N -2.10 1.15 -0.04 5.31 2.02 -1.24 -4.60 118.70 119.20 3k6h s GLU 162 Ca 0.41 -1.27 0.05 0.00 0.02 0.00 0.00 54.97 54.17 3k6h s GLU 162 Cb 0.20 -1.22 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 3k6h s GLU 162 CO 0.36 0.26 -0.18 0.15 0.02 0.00 0.00 175.26 175.86 3k6h s LYS 163 N -2.46 1.77 0.10 1.61 1.02 -1.04 -4.66 119.74 116.08 3k6h s LYS 163 Ca 0.11 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 3k6h s LYS 163 Cb -0.07 -1.57 -0.06 0.00 -0.52 0.00 0.00 37.83 35.61 3k6h s LYS 163 CO 0.05 0.29 1.14 0.54 -0.92 0.00 0.00 175.35 176.45 3k6h s VAL 164 N -0.09 4.06 -0.01 3.17 0.11 -1.26 0.14 120.40 126.51 3k6h s VAL 164 Ca -0.01 1.57 0.03 0.00 -2.93 0.00 0.00 61.98 60.64 3k6h s VAL 164 Cb -0.11 -4.00 -0.25 0.00 -1.53 0.00 0.00 36.38 30.49 3k6h s VAL 164 CO 0.02 0.17 0.78 0.00 -3.33 0.00 0.00 175.10 172.74 3k6h h ALA 165 N 6.21 0.47 0.00 1.54 0.00 -0.87 -3.46 119.26 123.16 3k6h h ALA 165 Ca -0.42 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.24 3k6h h ALA 165 Cb 1.21 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3k6h h ALA 165 CO 0.77 1.33 0.00 0.41 0.00 0.00 0.00 179.25 181.76 3k6h n GLY 166 N 1.63 0.89 3.54 0.00 0.00 -1.18 -4.91 105.19 105.15 3k6h n GLY 166 Ca -0.16 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3k6h n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k6h s TYR 167 N -2.00 3.19 -0.46 1.61 1.51 0.60 -0.67 117.35 121.13 3k6h s TYR 167 Ca 0.00 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 3k6h s TYR 167 Cb 0.00 -2.36 0.10 0.00 -0.11 0.00 0.00 41.96 39.59 3k6h s TYR 167 CO 0.00 -0.26 0.34 0.42 -1.11 0.00 0.00 175.55 174.94 3k6h s ILE 168 N 1.71 4.46 -0.14 2.71 -1.09 0.51 -0.76 121.20 128.60 3k6h s ILE 168 Ca 0.06 -1.53 -0.28 0.00 -2.23 0.00 0.00 60.65 56.67 3k6h s ILE 168 Cb -0.16 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 3k6h s ILE 168 CO 0.09 -0.67 0.96 -1.00 -1.23 0.00 0.00 174.94 173.09 3k6h s HIS 169 N 1.45 3.47 -0.07 3.97 3.76 -0.18 -1.13 115.29 126.56 3k6h s HIS 169 Ca 0.04 1.49 0.04 0.00 -0.15 0.00 0.00 55.06 56.47 3k6h s HIS 169 Cb -0.25 -3.15 -0.02 0.00 1.11 0.00 0.00 32.58 30.27 3k6h s HIS 169 CO 0.02 -0.25 -0.18 0.42 -0.85 0.00 0.00 174.74 173.89 3k6h s ILE 170 N 2.17 2.67 0.00 0.60 -1.09 0.15 -1.54 121.20 124.16 3k6h s ILE 170 Ca 0.45 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 3k6h s ILE 170 Cb -0.17 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 3k6h s ILE 170 CO 0.15 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 175.03 3k6h n GLY 171 N 2.89 1.83 4.02 6.18 0.00 -0.67 -2.74 105.19 116.71 3k6h n GLY 171 Ca -0.18 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 3k6h n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k6h s SER 172 N 0.20 5.06 -0.09 1.61 0.01 -1.13 -0.27 113.70 119.10 3k6h s SER 172 Ca 0.00 -0.88 -0.30 0.00 1.31 0.00 0.00 55.95 56.07 3k6h s SER 172 Cb 0.00 0.29 0.08 0.00 0.21 0.00 0.00 66.02 66.61 3k6h s SER 172 CO 0.00 -1.30 0.77 0.28 0.41 0.00 0.00 173.24 173.39 3k6h s THR 173 N -2.67 0.00 -0.27 1.44 -1.32 -1.26 -0.13 115.64 111.43 3k6h s THR 173 Ca 0.59 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.23 3k6h s THR 173 Cb -0.05 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.53 3k6h s THR 173 CO 0.37 0.00 1.50 0.35 -2.21 0.00 0.00 174.62 174.63 3k6h n THR 174 N 0.95 2.32 -4.53 5.08 -2.24 -1.26 -4.99 114.28 109.61 3k6h n THR 174 Ca -0.17 -1.70 -0.33 0.00 -2.27 0.00 0.00 64.05 59.58 3k6h n THR 174 Cb 0.57 -0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 68.47 3k6h n THR 174 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3k6h s PHE 175 N -2.69 2.96 0.24 4.78 0.08 -1.26 -5.09 117.98 117.00 3k6h s PHE 175 Ca 0.45 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 3k6h s PHE 175 Cb 0.35 -1.89 -0.10 0.00 -0.57 0.00 0.00 43.02 40.81 3k6h s PHE 175 CO 0.11 -0.03 1.36 -1.25 -0.10 0.00 0.00 175.22 175.32 3k6h s PRO 176 N 0.18 4.34 0.08 0.24 0.04 -1.26 -4.97 135.00 133.66 3k6h s PRO 176 Ca -0.04 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 3k6h s PRO 176 Cb -0.14 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 3k6h s PRO 176 CO 0.03 -0.30 1.12 -2.14 0.04 0.00 0.00 177.00 175.75 3k6h s PRO 177 N -0.49 4.51 -0.05 0.56 0.02 -1.26 -5.04 135.00 133.26 3k6h s PRO 177 Ca 0.56 1.68 0.03 0.00 0.02 0.00 0.00 61.00 63.29 3k6h s PRO 177 Cb -0.39 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 30.75 3k6h s PRO 177 CO 0.42 -0.11 -0.12 0.54 -0.33 0.00 0.00 177.00 177.40 3k6h s VAL 178 N 0.64 3.23 0.36 3.83 0.11 -1.26 -5.12 120.40 122.20 3k6h s VAL 178 Ca 0.54 -0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 58.65 3k6h s VAL 178 Cb -0.28 -2.29 -0.10 0.00 -1.53 0.00 0.00 36.38 32.19 3k6h s VAL 178 CO 0.31 0.57 0.99 -0.70 -3.33 0.00 0.00 175.10 172.94 3k6h s GLU 179 N -0.82 4.38 0.33 1.54 2.56 -1.26 -5.04 118.70 120.39 3k6h s GLU 179 Ca 0.12 1.39 0.08 0.00 0.00 0.00 0.00 54.97 56.56 3k6h s GLU 179 Cb -0.11 -2.63 -0.03 0.00 2.00 0.00 0.00 34.13 33.36 3k6h s GLU 179 CO 0.01 0.07 0.21 -0.98 -0.56 0.00 0.00 175.26 174.02 3k6h s ARG 180 N -2.35 2.57 0.29 4.30 1.70 -1.26 -5.08 118.95 119.12 3k6h s ARG 180 Ca 0.54 -1.39 -0.29 0.00 -0.47 0.00 0.00 55.73 54.12 3k6h s ARG 180 Cb -0.19 -2.35 -0.10 0.00 -0.57 0.00 0.00 34.95 31.74 3k6h s ARG 180 CO 0.24 0.13 1.43 -2.14 -1.08 0.00 0.00 175.30 173.89 3k6h s PRO 181 N -3.91 4.25 0.20 3.89 0.02 -1.26 -5.02 135.00 133.16 3k6h s PRO 181 Ca 0.39 2.35 0.07 0.00 0.02 0.00 0.00 61.00 63.83 3k6h s PRO 181 Cb -0.05 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 3k6h s PRO 181 CO 0.25 -0.41 0.05 1.03 -0.33 0.00 0.00 177.00 177.59 3k6h s ARG 182 N -0.93 2.55 0.43 5.54 1.81 -1.26 -5.12 118.95 121.97 3k6h s ARG 182 Ca 0.57 -1.12 -0.26 0.00 -1.72 0.00 0.00 55.73 53.20 3k6h s ARG 182 Cb -0.43 -2.40 -0.09 0.00 -0.45 0.00 0.00 34.95 31.58 3k6h s ARG 182 CO 0.49 0.43 1.41 -2.14 -0.68 0.00 0.00 175.30 174.81 3k6h s PRO 183 N -3.25 3.80 0.02 3.54 0.02 -1.26 -5.03 135.00 132.83 3k6h s PRO 183 Ca 0.30 2.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.58 3k6h s PRO 183 Cb -0.09 -2.72 -0.06 0.00 0.02 0.00 0.00 34.50 31.66 3k6h s PRO 183 CO 0.21 -0.72 0.38 -1.21 -0.33 0.00 0.00 177.00 175.33 3k6h s GLU 184 N -2.36 3.82 0.49 5.54 0.41 -1.26 -5.00 118.70 120.34 3k6h s GLU 184 Ca 0.59 0.28 0.31 0.00 -0.41 0.00 0.00 54.97 55.74 3k6h s GLU 184 Cb -0.43 -3.14 1.24 0.00 -1.78 0.00 0.00 34.13 30.02 3k6h s GLU 184 CO 0.56 0.65 1.92 -0.07 -0.49 0.00 0.00 175.26 177.83 3k6h h LEU 185 N 4.37 0.00 -1.36 1.80 3.38 -1.96 0.43 115.31 121.98 3k6h h LEU 185 Ca -0.51 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3k6h h LEU 185 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3k6h h LEU 185 CO 0.63 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.97 3k6h h ALA 186 N 2.05 1.09 0.00 1.53 0.00 -1.95 -1.58 119.26 120.40 3k6h h ALA 186 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3k6h h ALA 186 Cb 0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3k6h h ALA 186 CO 0.00 0.24 -1.39 -0.44 0.00 0.00 0.00 179.25 177.66 3k6h h ASP 187 N 0.00 0.00 0.00 0.00 3.32 -1.34 -3.42 116.42 114.98 3k6h h ASP 187 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3k6h h ASP 187 Cb 0.63 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3k6h h ASP 187 CO 0.03 0.93 -1.11 1.33 -1.72 0.00 0.00 179.24 178.69 3k6h n VAL 188 N -3.13 0.08 -3.99 -1.35 0.24 -0.86 -5.02 118.33 104.31 3k6h n VAL 188 Ca -0.10 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.34 61.83 3k6h n VAL 188 Cb 0.98 -0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 3k6h n VAL 188 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k6h s VAL 189 N -2.07 4.99 -0.03 3.34 0.11 -0.60 -5.08 120.40 121.06 3k6h s VAL 189 Ca -0.01 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.51 3k6h s VAL 189 Cb 0.01 -3.40 0.02 0.00 -1.53 0.00 0.00 36.38 31.48 3k6h s VAL 189 CO 0.07 0.17 0.06 0.28 -3.33 0.00 0.00 175.10 172.35 3k6h s THR 190 N -1.41 -0.03 0.15 5.04 -1.32 -1.26 -4.69 115.64 112.11 3k6h s THR 190 Ca 0.31 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.94 3k6h s THR 190 Cb -0.13 -0.11 -0.04 0.00 -1.51 0.00 0.00 72.50 70.72 3k6h s THR 190 CO 0.23 0.04 0.16 0.26 -2.21 0.00 0.00 174.62 173.10 3k6h s TRP 191 N 0.59 3.21 -0.19 9.09 0.52 -1.26 -5.12 118.94 125.78 3k6h s TRP 191 Ca -0.05 0.02 -0.09 0.00 0.02 0.00 0.00 56.10 56.00 3k6h s TRP 191 Cb -0.07 -1.55 0.07 0.00 -1.15 0.00 0.00 33.47 30.77 3k6h s TRP 191 CO -0.02 0.52 0.43 0.14 0.02 0.00 0.00 176.95 178.04 3k6h s VAL 192 N -1.71 -0.25 0.05 4.03 -7.23 -1.26 -5.13 120.40 108.90 3k6h s VAL 192 Ca 0.31 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 3k6h s VAL 192 Cb -0.10 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.18 3k6h s VAL 192 CO 0.24 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 3k6h n GLY 193 N 4.67 -2.80 0.00 2.32 0.00 -1.26 -5.38 105.19 102.74 3k6h n GLY 193 Ca -0.18 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3k6h n GLY 193 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41