#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1x n LYS 2 N 0.00 0.00 -1.77 1.97 2.85 -1.26 -4.63 118.16 115.32 3k1x n LYS 2 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 3k1x n LYS 2 Cb 0.00 -0.72 0.06 0.00 -0.65 0.00 0.00 35.03 33.72 3k1x n LYS 2 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3k1x s PRO 3 N -1.43 2.66 0.20 -1.58 0.04 -1.26 -4.71 135.00 128.92 3k1x s PRO 3 Ca 0.27 2.07 0.09 0.00 0.04 0.00 0.00 61.00 63.47 3k1x s PRO 3 Cb -0.04 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3k1x s PRO 3 CO 0.54 -1.51 -0.17 0.15 0.04 0.00 0.00 177.00 176.06 3k1x s LYS 4 N -3.31 1.35 0.31 4.56 1.02 0.31 -1.04 119.74 122.94 3k1x s LYS 4 Ca 0.81 -1.54 0.03 0.00 0.02 0.00 0.00 55.97 55.29 3k1x s LYS 4 Cb -0.37 -1.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 3k1x s LYS 4 CO 0.40 0.24 0.47 -0.51 -0.92 0.00 0.00 175.35 175.03 3k1x s LEU 5 N -3.08 4.11 -0.25 3.17 1.43 -0.55 -1.37 118.68 122.14 3k1x s LEU 5 Ca 0.21 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3k1x s LEU 5 Cb -0.03 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.18 3k1x s LEU 5 CO 0.08 -0.25 -0.02 -0.76 0.23 0.00 0.00 176.35 175.63 3k1x s LEU 6 N -4.19 2.63 -0.19 1.79 1.43 -1.26 -1.54 118.68 117.34 3k1x s LEU 6 Ca 0.39 -1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.15 3k1x s LEU 6 Cb -0.09 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 3k1x s LEU 6 CO 0.33 -0.27 0.03 -0.47 0.23 0.00 0.00 176.35 176.20 3k1x s TYR 7 N 1.41 3.13 -0.39 0.29 5.04 -0.67 -0.79 117.35 125.36 3k1x s TYR 7 Ca -0.03 -0.20 -0.16 0.00 -2.44 0.00 0.00 57.07 54.23 3k1x s TYR 7 Cb -0.19 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.05 3k1x s TYR 7 CO -0.08 -0.07 0.41 0.00 -1.34 0.00 0.00 175.55 174.47 3k1x n SER 9 N 5.50 0.07 0.00 0.00 3.41 -1.24 -0.34 113.62 121.03 3k1x n SER 9 Ca -0.08 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3k1x n SER 9 Cb 0.48 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3k1x n SER 9 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3k1x n ASN 10 N -1.58 0.00 -0.99 4.04 5.15 -1.26 -3.85 115.26 116.78 3k1x n ASN 10 Ca 0.03 0.91 0.10 0.00 -0.60 0.00 0.00 54.58 55.02 3k1x n ASN 10 Cb 0.15 -0.41 0.18 0.00 -0.53 0.00 0.00 39.78 39.17 3k1x n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k1x n GLY 11 N -0.93 1.60 1.81 8.20 0.00 -1.25 -4.87 105.19 109.75 3k1x n GLY 11 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 3k1x n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1x n GLY 12 N 1.24 0.63 3.63 -0.02 0.00 0.54 -4.97 105.19 106.24 3k1x n GLY 12 Ca 0.16 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3k1x n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1x s HIS 13 N -2.66 2.90 -0.05 1.61 3.76 -0.95 -4.50 115.29 115.40 3k1x s HIS 13 Ca 0.03 -0.06 -0.26 0.00 -0.15 0.00 0.00 55.06 54.62 3k1x s HIS 13 Cb -0.01 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 3k1x s HIS 13 CO 0.04 0.44 0.82 -0.06 -0.85 0.00 0.00 174.74 175.12 3k1x s PHE 14 N -1.19 3.60 0.33 1.40 0.08 -0.17 0.06 117.98 122.09 3k1x s PHE 14 Ca 0.22 1.42 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 3k1x s PHE 14 Cb -0.11 -2.94 -0.11 0.00 -0.57 0.00 0.00 43.02 39.28 3k1x s PHE 14 CO 0.14 0.03 1.54 -1.17 -0.10 0.00 0.00 175.22 175.65 3k1x s LEU 15 N 0.98 4.34 -0.00 -0.37 2.96 0.03 -1.18 118.68 125.43 3k1x s LEU 15 Ca 0.43 2.98 0.01 0.00 -0.22 0.00 0.00 54.13 57.33 3k1x s LEU 15 Cb -0.19 -3.65 -0.00 0.00 0.50 0.00 0.00 46.19 42.85 3k1x s LEU 15 CO 0.22 -0.88 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.72 3k1x s ARG 16 N -1.21 0.33 -0.34 1.98 3.52 -0.39 -4.52 118.95 118.32 3k1x s ARG 16 Ca 0.58 -0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 3k1x s ARG 16 Cb -0.47 -0.30 0.08 0.00 -1.56 0.00 0.00 34.95 32.70 3k1x s ARG 16 CO 0.54 0.08 0.06 0.42 -0.81 0.00 0.00 175.30 175.60 3k1x s ILE 17 N -0.16 2.87 0.63 4.11 1.01 -0.97 -2.13 121.20 126.56 3k1x s ILE 17 Ca 0.01 -1.80 -0.16 0.00 0.00 0.00 0.00 60.65 58.69 3k1x s ILE 17 Cb -0.02 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 3k1x s ILE 17 CO -0.00 -0.38 1.12 -0.76 0.00 0.00 0.00 174.94 174.92 3k1x s LEU 18 N 1.14 3.48 0.36 2.97 1.43 -0.02 -4.84 118.68 123.19 3k1x s LEU 18 Ca 0.02 2.05 0.11 0.00 -1.03 0.00 0.00 54.13 55.28 3k1x s LEU 18 Cb -0.21 -4.56 0.90 0.00 0.03 0.00 0.00 46.19 42.35 3k1x s LEU 18 CO -0.04 -1.53 1.81 -0.65 0.23 0.00 0.00 176.35 176.17 3k1x h PRO 19 N 0.33 0.59 0.00 1.29 0.11 -1.98 -1.28 132.00 131.05 3k1x h PRO 19 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3k1x h PRO 19 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3k1x h PRO 19 CO 0.55 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3k1x n ASP 20 N -4.64 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.40 3k1x n ASP 20 Ca 0.22 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 3k1x n ASP 20 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 3k1x n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1x n GLY 21 N 0.46 0.78 3.77 6.12 0.00 -0.48 -4.97 105.19 110.88 3k1x n GLY 21 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3k1x n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1x s THR 22 N -2.94 2.03 -0.08 2.61 2.01 -1.26 -0.90 115.64 117.12 3k1x s THR 22 Ca 0.00 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.07 3k1x s THR 22 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.49 3k1x s THR 22 CO 0.00 0.01 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.05 3k1x s VAL 23 N -1.17 1.70 0.00 3.82 1.01 -1.26 -0.84 120.40 123.65 3k1x s VAL 23 Ca 0.58 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3k1x s VAL 23 Cb -0.45 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3k1x s VAL 23 CO 0.59 0.48 0.00 -0.90 0.00 0.00 0.00 175.10 175.27 3k1x n ASP 24 N 3.57 0.00 -4.28 3.32 5.75 -0.91 -4.03 116.55 119.97 3k1x n ASP 24 Ca -0.20 -0.51 -0.16 0.00 -0.01 0.00 0.00 54.79 53.91 3k1x n ASP 24 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3k1x n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3k1x s GLY 25 N -0.51 1.23 0.01 6.12 0.00 0.26 -1.26 107.32 113.16 3k1x s GLY 25 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.17 3k1x s GLY 25 CO 0.00 -1.64 -0.10 -1.08 0.00 0.00 0.00 173.10 170.29 3k1x s THR 26 N -3.28 0.76 -0.51 0.90 -1.32 -0.32 -4.78 115.64 107.09 3k1x s THR 26 Ca 0.20 -0.58 0.26 0.00 -1.21 0.00 0.00 61.69 60.36 3k1x s THR 26 Cb 0.03 -0.67 0.30 0.00 -1.51 0.00 0.00 72.50 70.65 3k1x s THR 26 CO 0.03 0.09 1.75 0.03 -2.21 0.00 0.00 174.62 174.32 3k1x h ARG 27 N 5.57 0.00 -6.15 7.08 3.08 -1.87 -0.44 114.38 121.65 3k1x h ARG 27 Ca -0.33 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.21 3k1x h ARG 27 Cb 1.18 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 3k1x h ARG 27 CO 0.47 0.00 1.19 0.34 -1.07 0.00 0.00 179.97 180.91 3k1x s ASP 28 N -5.00 5.75 0.07 7.04 2.15 -1.26 -4.81 116.67 120.61 3k1x s ASP 28 Ca 0.07 -0.18 0.06 0.00 0.43 0.00 0.00 52.55 52.94 3k1x s ASP 28 Cb 0.10 -2.55 0.30 0.00 -0.30 0.00 0.00 42.92 40.47 3k1x s ASP 28 CO 0.56 -2.10 1.18 -1.14 -0.17 0.00 0.00 175.17 173.50 3k1x n ARG 29 N 9.25 0.03 0.17 4.34 3.00 -1.26 -1.45 116.66 130.74 3k1x n ARG 29 Ca 0.14 0.51 0.08 0.00 -0.00 0.00 0.00 57.85 58.58 3k1x n ARG 29 Cb 0.50 -1.60 0.09 0.00 0.00 0.00 0.00 32.46 31.45 3k1x n ARG 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3k1x h SER 30 N 0.00 0.00 -1.45 6.15 0.02 -1.99 -3.47 113.55 112.82 3k1x h SER 30 Ca 0.00 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 3k1x h SER 30 Cb 0.02 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.59 3k1x h SER 30 CO 0.00 0.19 0.64 -0.67 -1.14 0.00 0.00 176.83 175.86 3k1x n ASP 31 N -3.09 1.73 0.15 3.07 2.03 -0.53 -4.89 116.55 115.03 3k1x n ASP 31 Ca 0.02 1.11 0.12 0.00 0.52 0.00 0.00 54.79 56.57 3k1x n ASP 31 Cb 0.62 -1.09 0.54 0.00 -0.72 0.00 0.00 41.12 40.46 3k1x n ASP 31 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3k1x h GLN 32 N 5.62 0.00 -0.67 -0.67 1.08 -1.90 -3.25 115.11 115.31 3k1x h GLN 32 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3k1x h GLN 32 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 3k1x h GLN 32 CO 0.87 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 179.47 3k1x n HIS 33 N -2.32 1.12 0.91 2.96 8.25 -1.26 -4.13 115.22 120.75 3k1x n HIS 33 Ca 0.01 -0.50 0.10 0.00 -0.26 0.00 0.00 57.72 57.07 3k1x n HIS 33 Cb 0.18 -0.10 -0.12 0.00 1.12 0.00 0.00 29.99 31.08 3k1x n HIS 33 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3k1x n ILE 34 N 1.32 0.00 -2.39 1.59 -5.35 -1.23 -2.28 119.36 111.02 3k1x n ILE 34 Ca 0.23 -0.04 -0.43 0.00 -0.27 0.00 0.00 62.75 62.24 3k1x n ILE 34 Cb 0.69 0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 39.53 3k1x n ILE 34 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3k1x s GLN 35 N -2.92 3.86 -0.02 6.28 1.11 -1.26 -4.45 119.66 122.27 3k1x s GLN 35 Ca 0.07 1.23 0.03 0.00 0.01 0.00 0.00 55.36 56.70 3k1x s GLN 35 Cb 0.15 -3.91 -0.00 0.00 -1.01 0.00 0.00 33.01 28.24 3k1x s GLN 35 CO 0.83 -1.19 -0.10 -0.51 0.01 0.00 0.00 175.29 174.33 3k1x s LEU 36 N 4.56 1.86 -0.24 2.90 1.43 -0.47 -1.26 118.68 127.46 3k1x s LEU 36 Ca 0.58 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 3k1x s LEU 36 Cb -0.17 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 3k1x s LEU 36 CO 0.25 0.09 0.09 -1.58 0.23 0.00 0.00 176.35 175.43 3k1x s GLN 37 N 0.06 3.79 -0.09 1.70 2.00 0.21 -0.53 119.66 126.80 3k1x s GLN 37 Ca -0.01 -0.41 -0.12 0.00 -2.00 0.00 0.00 55.36 52.82 3k1x s GLN 37 Cb -0.08 -3.37 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 3k1x s GLN 37 CO 0.00 -0.08 0.28 -0.51 -0.50 0.00 0.00 175.29 174.49 3k1x s LEU 38 N 1.34 4.38 0.02 3.68 1.02 -1.26 -1.04 118.68 126.82 3k1x s LEU 38 Ca 0.06 0.66 0.02 0.00 0.02 0.00 0.00 54.13 54.89 3k1x s LEU 38 Cb -0.15 -2.35 -0.01 0.00 0.02 0.00 0.00 46.19 43.70 3k1x s LEU 38 CO 0.05 0.29 -0.07 -0.94 0.02 0.00 0.00 176.35 175.70 3k1x s SER 39 N -0.63 0.81 -0.31 2.29 1.04 -0.74 -4.75 113.70 111.42 3k1x s SER 39 Ca 0.19 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 3k1x s SER 39 Cb -0.14 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 3k1x s SER 39 CO 0.07 -0.04 0.19 0.00 0.98 0.00 0.00 173.24 174.45 3k1x s ALA 40 N -0.68 3.43 0.00 5.32 0.00 -1.26 -0.05 121.76 128.51 3k1x s ALA 40 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3k1x s ALA 40 Cb -0.06 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3k1x s ALA 40 CO 0.00 -0.81 0.00 -1.91 0.00 0.00 0.00 175.76 173.04 3k1x n GLU 41 N 5.05 0.00 -1.79 0.00 4.07 -0.82 -4.93 120.64 122.22 3k1x n GLU 41 Ca -0.14 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.67 3k1x n GLU 41 Cb 0.50 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 32.06 3k1x n GLU 41 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3k1x s SER 42 N -2.08 3.07 0.06 4.31 0.01 -1.26 -4.95 113.70 112.86 3k1x s SER 42 Ca 0.00 0.44 -0.16 0.00 1.31 0.00 0.00 55.95 57.54 3k1x s SER 42 Cb 0.00 -0.61 -0.06 0.00 0.21 0.00 0.00 66.02 65.56 3k1x s SER 42 CO 0.00 -2.77 1.26 0.58 0.41 0.00 0.00 173.24 172.71 3k1x h VAL 43 N -1.67 0.00 -0.46 3.43 2.07 -2.03 -2.23 116.25 115.37 3k1x h VAL 43 Ca -0.45 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 66.88 3k1x h VAL 43 Cb 1.26 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.92 3k1x h VAL 43 CO 0.43 0.00 0.24 0.61 0.02 0.00 0.00 177.57 178.88 3k1x n GLY 44 N -1.19 3.01 3.20 2.17 0.00 -1.26 -4.84 105.19 106.27 3k1x n GLY 44 Ca -0.02 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3k1x n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1x s GLU 45 N -1.81 3.08 0.13 1.61 2.02 -0.84 -0.80 118.70 122.08 3k1x s GLU 45 Ca 0.30 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.53 3k1x s GLU 45 Cb 0.25 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 3k1x s GLU 45 CO 0.07 -0.00 -0.16 0.14 0.02 0.00 0.00 175.26 175.32 3k1x s VAL 46 N 0.81 1.52 0.07 2.63 -7.23 -0.03 -1.94 120.40 116.22 3k1x s VAL 46 Ca -0.07 -1.72 -0.06 0.00 -1.81 0.00 0.00 61.98 58.32 3k1x s VAL 46 Cb -0.15 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 3k1x s VAL 46 CO -0.01 -0.32 0.33 -0.31 -0.31 0.00 0.00 175.10 174.48 3k1x s TYR 47 N -1.90 3.55 -0.22 2.82 2.02 0.92 -1.42 117.35 123.11 3k1x s TYR 47 Ca 0.10 0.60 0.02 0.00 -0.37 0.00 0.00 57.07 57.42 3k1x s TYR 47 Cb -0.06 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.52 3k1x s TYR 47 CO 0.04 0.54 -0.13 0.42 -1.57 0.00 0.00 175.55 174.85 3k1x s ILE 48 N -1.44 1.99 -0.10 2.71 1.01 -1.26 -1.80 121.20 122.31 3k1x s ILE 48 Ca 0.33 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3k1x s ILE 48 Cb -0.13 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.34 3k1x s ILE 48 CO 0.20 0.18 -0.20 -0.75 0.00 0.00 0.00 174.94 174.36 3k1x s LYS 49 N 1.24 2.65 0.09 2.79 2.20 -0.21 0.05 119.74 128.56 3k1x s LYS 49 Ca -0.03 -0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 54.53 3k1x s LYS 49 Cb -0.17 -2.07 -0.08 0.00 -1.51 0.00 0.00 37.83 34.00 3k1x s LYS 49 CO -0.08 0.09 1.45 0.45 -0.36 0.00 0.00 175.35 176.90 3k1x s SER 50 N 0.56 6.77 0.16 1.43 0.15 0.14 0.63 113.70 123.54 3k1x s SER 50 Ca -0.15 2.34 0.24 0.00 0.70 0.00 0.00 55.95 59.09 3k1x s SER 50 Cb -0.17 -2.58 0.43 0.00 -1.71 0.00 0.00 66.02 61.99 3k1x s SER 50 CO 0.05 -0.72 1.42 0.71 1.20 0.00 0.00 173.24 175.91 3k1x h THR 51 N 4.42 0.00 -0.06 6.45 1.35 -1.50 -1.34 112.91 122.22 3k1x h THR 51 Ca -0.41 -0.55 -0.24 0.00 -0.55 0.00 0.00 66.41 64.65 3k1x h THR 51 Cb 1.20 1.25 0.02 0.00 -1.73 0.00 0.00 68.15 68.88 3k1x h THR 51 CO 0.89 0.00 -0.91 -0.08 -0.25 0.00 0.00 175.52 175.17 3k1x h GLU 52 N 0.00 0.73 -0.00 4.72 4.57 -1.78 -3.38 114.58 119.44 3k1x h GLU 52 Ca 0.00 -0.70 0.00 0.00 -1.18 0.00 0.00 59.36 57.48 3k1x h GLU 52 Cb 0.78 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3k1x h GLU 52 CO 0.00 1.29 -0.01 0.25 -1.18 0.00 0.00 179.01 179.36 3k1x n THR 53 N -3.91 0.00 -1.02 0.32 -2.24 -1.25 -5.00 114.28 101.17 3k1x n THR 53 Ca -0.10 -0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 61.18 3k1x n THR 53 Cb 0.82 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 70.05 3k1x n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1x n GLY 54 N 0.62 0.29 3.83 3.38 0.00 -0.50 -5.01 105.19 107.79 3k1x n GLY 54 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3k1x n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1x s GLN 55 N -1.24 3.55 -0.18 1.61 -0.21 -1.25 -4.73 119.66 117.21 3k1x s GLN 55 Ca 0.00 1.01 -0.05 0.00 0.02 0.00 0.00 55.36 56.34 3k1x s GLN 55 Cb 0.00 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 3k1x s GLN 55 CO 0.00 -0.61 0.01 0.71 -2.12 0.00 0.00 175.29 173.28 3k1x s TYR 56 N -2.70 3.12 0.37 0.91 1.51 0.79 0.23 117.35 121.58 3k1x s TYR 56 Ca 0.60 -0.18 -0.26 0.00 -1.01 0.00 0.00 57.07 56.22 3k1x s TYR 56 Cb -0.13 -2.03 -0.12 0.00 -0.11 0.00 0.00 41.96 39.57 3k1x s TYR 56 CO 0.39 -0.00 1.13 -0.11 -1.11 0.00 0.00 175.55 175.86 3k1x n LEU 57 N 3.69 2.93 -3.60 -1.29 7.94 0.11 -0.21 117.00 126.56 3k1x n LEU 57 Ca -0.17 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 55.73 3k1x n LEU 57 Cb 0.52 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 43.02 3k1x n LEU 57 CO 0.34 -1.04 0.23 0.00 -1.11 0.00 0.00 177.39 175.81 3k1x s ALA 58 N -1.16 -1.19 -0.03 1.96 0.00 -0.50 -4.34 121.76 116.50 3k1x s ALA 58 Ca 0.59 0.41 0.04 0.00 0.00 0.00 0.00 51.96 53.00 3k1x s ALA 58 Cb -0.58 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 3k1x s ALA 58 CO 0.59 -0.53 -0.13 1.41 0.00 0.00 0.00 175.76 177.10 3k1x s MET 59 N -2.74 1.28 0.70 0.00 1.75 -0.63 -1.73 119.30 117.93 3k1x s MET 59 Ca -0.04 -0.48 -0.05 0.00 -1.25 0.00 0.00 55.69 53.88 3k1x s MET 59 Cb -0.00 -1.18 0.15 0.00 2.84 0.00 0.00 34.83 36.63 3k1x s MET 59 CO -0.04 0.23 0.95 -0.40 -0.65 0.00 0.00 175.02 175.11 3k1x n ASP 60 N 3.03 0.79 0.12 1.11 5.68 0.10 -4.84 116.55 122.55 3k1x n ASP 60 Ca -0.17 -1.78 0.11 0.00 -0.50 0.00 0.00 54.79 52.45 3k1x n ASP 60 Cb 0.54 -0.66 0.48 0.00 -1.14 0.00 0.00 41.12 40.34 3k1x n ASP 60 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k1x n THR 61 N -2.96 0.93 -0.40 2.12 -2.24 -1.26 -1.11 114.28 109.36 3k1x n THR 61 Ca 0.14 0.34 0.12 0.00 -2.27 0.00 0.00 64.05 62.38 3k1x n THR 61 Cb 0.50 -1.27 0.33 0.00 -2.10 0.00 0.00 70.33 67.78 3k1x n THR 61 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k1x n ASP 62 N -2.15 4.04 0.00 3.42 8.00 -1.26 -4.93 116.55 123.67 3k1x n ASP 62 Ca 0.01 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.47 3k1x n ASP 62 Cb 0.18 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3k1x n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1x n GLY 63 N 1.59 0.72 3.74 0.44 0.00 -0.26 -4.67 105.19 106.75 3k1x n GLY 63 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3k1x n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1x s LEU 64 N 0.00 4.39 0.35 0.99 1.43 -1.26 -1.22 118.68 123.37 3k1x s LEU 64 Ca 0.00 1.28 -0.27 0.00 -1.03 0.00 0.00 54.13 54.11 3k1x s LEU 64 Cb 0.00 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.03 3k1x s LEU 64 CO 0.00 -0.01 1.22 -0.76 0.23 0.00 0.00 176.35 177.03 3k1x s LEU 65 N 0.22 4.35 0.17 1.79 1.43 -1.26 0.01 118.68 125.39 3k1x s LEU 65 Ca 0.36 2.48 -0.20 0.00 -1.03 0.00 0.00 54.13 55.75 3k1x s LEU 65 Cb -0.19 -3.80 0.05 0.00 0.03 0.00 0.00 46.19 42.28 3k1x s LEU 65 CO 0.20 -0.54 0.54 -0.72 0.23 0.00 0.00 176.35 176.06 3k1x s TYR 66 N -1.25 -0.33 -0.22 0.29 -0.85 -0.71 -4.59 117.35 109.68 3k1x s TYR 66 Ca 0.52 0.04 -0.15 0.00 -0.52 0.00 0.00 57.07 56.96 3k1x s TYR 66 Cb -0.35 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 3k1x s TYR 66 CO 0.45 -0.85 0.38 0.20 -1.52 0.00 0.00 175.55 174.21 3k1x s GLY 67 N -2.80 2.01 -0.19 5.49 0.00 -0.07 -1.41 107.32 110.35 3k1x s GLY 67 Ca 0.04 -0.63 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 3k1x s GLY 67 CO -0.09 0.86 0.15 -0.45 0.00 0.00 0.00 173.10 173.57 3k1x s SER 68 N 1.22 6.26 0.47 1.64 0.15 0.70 -4.74 113.70 119.41 3k1x s SER 68 Ca 0.17 0.30 0.26 0.00 0.70 0.00 0.00 55.95 57.38 3k1x s SER 68 Cb -0.15 -2.10 1.11 0.00 -1.71 0.00 0.00 66.02 63.17 3k1x s SER 68 CO 0.08 0.19 1.91 1.56 1.20 0.00 0.00 173.24 178.18 3k1x h GLN 69 N 6.48 0.00 -4.85 5.44 4.20 -1.90 0.22 115.11 124.71 3k1x h GLN 69 Ca -0.43 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 57.98 3k1x h GLN 69 Cb 1.16 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.75 3k1x h GLN 69 CO 0.74 0.18 -0.73 0.95 -0.67 0.00 0.00 178.83 179.30 3k1x s THR 70 N -3.80 0.82 0.34 -0.54 -4.23 -1.26 -4.73 115.64 102.23 3k1x s THR 70 Ca -0.00 -1.49 -0.27 0.00 -1.18 0.00 0.00 61.69 58.75 3k1x s THR 70 Cb 0.11 -1.16 -0.09 0.00 1.34 0.00 0.00 72.50 72.69 3k1x s THR 70 CO 0.61 -0.52 1.04 -2.16 -0.54 0.00 0.00 174.62 173.06 3k1x s PRO 71 N -2.48 4.43 0.19 3.99 0.04 -1.26 -4.83 135.00 135.07 3k1x s PRO 71 Ca 0.01 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 3k1x s PRO 71 Cb -0.04 -2.85 0.03 0.00 0.04 0.00 0.00 34.50 31.68 3k1x s PRO 71 CO -0.00 0.08 0.37 0.27 0.04 0.00 0.00 177.00 177.76 3k1x n ASN 72 N 0.55 -1.06 0.29 6.66 2.04 -1.26 -5.02 115.26 117.45 3k1x n ASN 72 Ca 0.02 -1.77 0.19 0.00 -0.44 0.00 0.00 54.58 52.58 3k1x n ASN 72 Cb 0.48 1.78 0.98 0.00 -2.53 0.00 0.00 39.78 40.49 3k1x n ASN 72 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3k1x h GLU 73 N 0.00 0.00 -0.03 -3.83 4.11 -1.99 -0.69 114.58 112.15 3k1x h GLU 73 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3k1x h GLU 73 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3k1x h GLU 73 CO 0.20 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.67 3k1x n GLU 74 N -2.90 1.32 0.00 1.06 1.02 -1.26 -3.71 120.64 116.18 3k1x n GLU 74 Ca -0.02 -0.48 0.06 0.00 -0.02 0.00 0.00 57.16 56.70 3k1x n GLU 74 Cb 0.11 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.11 3k1x n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k1x s LEU 76 N -1.56 4.12 0.12 0.00 2.96 -1.24 -4.35 118.68 118.73 3k1x s LEU 76 Ca 0.11 0.96 0.08 0.00 -0.22 0.00 0.00 54.13 55.05 3k1x s LEU 76 Cb 0.10 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 3k1x s LEU 76 CO 0.26 -0.39 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.41 3k1x s PHE 77 N 2.32 2.65 -0.29 5.38 0.08 -0.51 -1.77 117.98 125.85 3k1x s PHE 77 Ca 0.32 -0.20 -0.18 0.00 0.12 0.00 0.00 56.93 56.99 3k1x s PHE 77 Cb -0.16 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 3k1x s PHE 77 CO 0.10 0.42 0.52 -0.51 -0.10 0.00 0.00 175.22 175.65 3k1x s LEU 78 N -2.26 4.14 -0.22 -0.37 1.43 0.10 -0.85 118.68 120.65 3k1x s LEU 78 Ca 0.21 0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 53.45 3k1x s LEU 78 Cb -0.11 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 3k1x s LEU 78 CO 0.13 -0.36 0.62 -0.70 0.23 0.00 0.00 176.35 176.27 3k1x s GLU 79 N 2.36 4.17 -0.07 1.70 2.12 0.02 -1.43 118.70 127.57 3k1x s GLU 79 Ca 0.21 0.57 0.02 0.00 0.36 0.00 0.00 54.97 56.13 3k1x s GLU 79 Cb -0.15 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.65 3k1x s GLU 79 CO 0.11 -0.30 -0.11 1.03 -0.54 0.00 0.00 175.26 175.45 3k1x s ARG 80 N 2.11 1.65 0.05 4.30 1.81 0.05 -4.80 118.95 124.12 3k1x s ARG 80 Ca 0.27 -0.38 -0.31 0.00 -1.72 0.00 0.00 55.73 53.60 3k1x s ARG 80 Cb -0.16 -1.43 -0.05 0.00 -0.45 0.00 0.00 34.95 32.86 3k1x s ARG 80 CO 0.10 -0.03 1.21 -1.17 -0.68 0.00 0.00 175.30 174.72 3k1x s LEU 81 N 0.87 4.36 0.30 2.53 1.98 -1.26 -0.96 118.68 126.50 3k1x s LEU 81 Ca -0.11 2.01 0.06 0.00 -2.89 0.00 0.00 54.13 53.21 3k1x s LEU 81 Cb -0.15 -3.58 -0.02 0.00 0.66 0.00 0.00 46.19 43.10 3k1x s LEU 81 CO 0.01 -0.49 0.38 -1.61 -1.89 0.00 0.00 176.35 172.74 3k1x s GLU 82 N 1.21 3.12 0.00 1.98 0.41 0.14 -4.92 118.70 120.65 3k1x s GLU 82 Ca 0.59 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 3k1x s GLU 82 Cb -0.29 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 3k1x s GLU 82 CO 0.28 0.21 0.75 -1.91 -0.49 0.00 0.00 175.26 174.10 3k1x n GLU 83 N -1.48 0.00 -0.04 1.61 4.07 -1.26 -0.19 120.64 123.35 3k1x n GLU 83 Ca -0.04 0.28 -0.16 0.00 -0.06 0.00 0.00 57.16 57.18 3k1x n GLU 83 Cb 0.58 -1.63 -0.07 0.00 -0.06 0.00 0.00 31.44 30.26 3k1x n GLU 83 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3k1x h ASN 84 N 0.00 0.79 0.00 4.31 2.35 -2.01 -3.48 115.58 117.54 3k1x h ASN 84 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 3k1x h ASN 84 Cb 0.26 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3k1x h ASN 84 CO 0.00 1.27 0.00 1.41 -1.65 0.00 0.00 177.43 178.46 3k1x n HIS 85 N -4.10 0.00 -2.02 1.19 8.25 0.73 -5.07 115.22 114.21 3k1x n HIS 85 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.05 3k1x n HIS 85 Cb 0.65 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.78 3k1x n HIS 85 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3k1x s TYR 86 N -3.16 2.72 0.11 4.41 4.12 -1.26 -4.71 117.35 119.58 3k1x s TYR 86 Ca 0.00 1.54 0.04 0.00 0.02 0.00 0.00 57.07 58.67 3k1x s TYR 86 Cb 0.00 -3.18 -0.04 0.00 -1.52 0.00 0.00 41.96 37.23 3k1x s TYR 86 CO 0.00 -1.50 0.10 -0.80 0.02 0.00 0.00 175.55 173.36 3k1x s ASN 87 N -2.32 5.50 0.12 2.29 0.01 0.12 0.29 114.94 120.95 3k1x s ASN 87 Ca 0.68 -0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.83 3k1x s ASN 87 Cb -0.21 -1.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 3k1x s ASN 87 CO 0.35 0.13 -0.02 0.42 -1.51 0.00 0.00 177.10 176.47 3k1x s THR 88 N -1.53 3.80 -0.26 1.60 -4.23 -0.13 -0.33 115.64 114.55 3k1x s THR 88 Ca 0.30 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3k1x s THR 88 Cb -0.11 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 70.96 3k1x s THR 88 CO 0.22 0.03 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.01 3k1x s TYR 89 N -1.45 2.51 -0.14 3.99 1.51 -1.26 -0.77 117.35 121.73 3k1x s TYR 89 Ca 0.26 -1.95 -0.05 0.00 -1.01 0.00 0.00 57.07 54.31 3k1x s TYR 89 Cb -0.11 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3k1x s TYR 89 CO 0.18 -0.82 0.04 -1.50 -1.11 0.00 0.00 175.55 172.33 3k1x s ILE 90 N 1.35 4.58 0.17 2.71 2.07 -0.51 -1.18 121.20 130.39 3k1x s ILE 90 Ca -0.01 -0.12 -0.33 0.00 -1.41 0.00 0.00 60.65 58.77 3k1x s ILE 90 Cb -0.19 -3.01 -0.14 0.00 0.13 0.00 0.00 42.46 39.25 3k1x s ILE 90 CO -0.09 0.52 1.44 -0.24 -1.91 0.00 0.00 174.94 174.66 3k1x n SER 91 N 2.99 2.52 0.02 4.50 2.88 -0.24 0.01 113.62 126.31 3k1x n SER 91 Ca -0.18 1.11 -0.18 0.00 -1.33 0.00 0.00 58.87 58.30 3k1x n SER 91 Cb 0.53 -1.36 -0.12 0.00 -0.75 0.00 0.00 64.21 62.51 3k1x n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3k1x h LYS 92 N 4.87 0.36 0.00 -1.46 3.64 -1.68 -1.04 116.57 121.26 3k1x h LYS 92 Ca -0.45 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 58.47 3k1x h LYS 92 Cb 1.29 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3k1x h LYS 92 CO 0.81 1.14 -0.03 -0.22 -2.27 0.00 0.00 179.45 178.88 3k1x h LYS 93 N -0.22 0.00 -0.11 1.90 3.64 -1.78 -2.59 116.57 117.42 3k1x h LYS 93 Ca -0.10 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 3k1x h LYS 93 Cb 1.41 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.16 3k1x h LYS 93 CO 0.13 0.03 -0.56 0.72 -2.27 0.00 0.00 179.45 177.49 3k1x n HIS 94 N -4.13 0.39 -0.09 1.91 8.25 -1.21 -4.84 115.22 115.50 3k1x n HIS 94 Ca -0.03 -1.57 -0.01 0.00 -0.26 0.00 0.00 57.72 55.85 3k1x n HIS 94 Cb 0.11 -0.26 0.25 0.00 1.12 0.00 0.00 29.99 31.21 3k1x n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1x h ALA 95 N 1.17 1.32 0.00 -1.41 0.00 -0.77 -2.79 119.26 116.78 3k1x h ALA 95 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3k1x h ALA 95 Cb 1.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k1x h ALA 95 CO 0.11 0.49 -0.15 1.05 0.00 0.00 0.00 179.25 180.74 3k1x h GLU 96 N 0.71 0.00 -0.01 0.00 9.09 -1.86 -1.08 114.58 121.43 3k1x h GLU 96 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 3k1x h GLU 96 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3k1x h GLU 96 CO -0.00 0.15 -0.34 1.63 0.05 0.00 0.00 179.01 180.50 3k1x n LYS 97 N -3.83 1.05 -3.15 1.06 5.02 -1.06 -4.97 118.16 112.27 3k1x n LYS 97 Ca -0.02 -0.75 -0.15 0.00 -2.02 0.00 0.00 58.31 55.38 3k1x n LYS 97 Cb 0.25 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 3k1x n LYS 97 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k1x n ASN 98 N -0.32 -4.28 -4.54 4.39 4.05 -0.41 -4.91 115.26 109.24 3k1x n ASN 98 Ca 0.11 -0.36 -0.42 0.00 0.45 0.00 0.00 54.58 54.37 3k1x n ASN 98 Cb 0.40 -3.42 -0.07 0.00 1.23 0.00 0.00 39.78 37.92 3k1x n ASN 98 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 3k1x s TRP 99 N -3.21 3.14 0.18 1.20 0.52 -1.23 -4.63 118.94 114.91 3k1x s TRP 99 Ca 0.30 0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.53 3k1x s TRP 99 Cb -0.13 -3.06 -0.03 0.00 -1.15 0.00 0.00 33.47 29.09 3k1x s TRP 99 CO 0.47 -0.66 0.28 -0.06 0.02 0.00 0.00 176.95 177.00 3k1x s PHE 100 N 2.51 3.42 0.12 -1.98 0.40 -1.26 -1.08 117.98 120.11 3k1x s PHE 100 Ca 0.20 0.06 -0.31 0.00 -0.60 0.00 0.00 56.93 56.28 3k1x s PHE 100 Cb -0.15 -1.62 -0.08 0.00 0.51 0.00 0.00 43.02 41.69 3k1x s PHE 100 CO 0.15 0.50 1.34 0.08 0.70 0.00 0.00 175.22 177.99 3k1x s VAL 101 N -1.81 3.44 0.01 -0.44 1.01 -0.32 -4.48 120.40 117.80 3k1x s VAL 101 Ca 0.34 1.06 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 3k1x s VAL 101 Cb -0.10 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.63 3k1x s VAL 101 CO 0.28 0.09 0.34 -0.83 0.00 0.00 0.00 175.10 174.99 3k1x s GLY 102 N 0.99 -0.19 -0.09 4.51 0.00 -1.26 -4.44 107.32 106.84 3k1x s GLY 102 Ca 0.62 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.68 3k1x s GLY 102 CO 0.31 0.08 -0.17 1.08 0.00 0.00 0.00 173.10 174.39 3k1x s LEU 103 N -1.59 1.84 1.08 0.66 1.43 -0.40 -0.01 118.68 121.69 3k1x s LEU 103 Ca -0.10 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 3k1x s LEU 103 Cb -0.03 -1.10 0.23 0.00 0.03 0.00 0.00 46.19 45.32 3k1x s LEU 103 CO 0.02 0.08 1.07 -0.54 0.23 0.00 0.00 176.35 177.21 3k1x s LYS 104 N 0.59 -0.26 0.37 1.70 1.02 0.12 -4.44 119.74 118.83 3k1x s LYS 104 Ca -0.15 0.50 0.19 0.00 0.02 0.00 0.00 55.97 56.53 3k1x s LYS 104 Cb -0.17 -1.66 0.61 0.00 -0.52 0.00 0.00 37.83 36.10 3k1x s LYS 104 CO 0.05 -3.19 1.70 -0.22 -0.92 0.00 0.00 175.35 172.76 3k1x h LYS 105 N -2.23 0.00 -0.05 1.68 3.64 -1.89 -0.98 116.57 116.75 3k1x h LYS 105 Ca -0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3k1x h LYS 105 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3k1x h LYS 105 CO 0.53 0.38 0.00 0.27 -2.27 0.00 0.00 179.45 178.37 3k1x n ASN 106 N -3.47 0.27 0.00 4.20 0.23 -1.26 -4.48 115.26 110.74 3k1x n ASN 106 Ca 0.00 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.16 3k1x n ASN 106 Cb 0.54 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 3k1x n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k1x n GLY 107 N 0.64 2.71 3.78 4.83 0.00 -0.37 -4.97 105.19 111.80 3k1x n GLY 107 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3k1x n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1x s SER 108 N -3.85 5.80 0.48 1.61 0.01 -1.26 0.89 113.70 117.37 3k1x s SER 108 Ca 0.00 2.14 -0.20 0.00 1.31 0.00 0.00 55.95 59.19 3k1x s SER 108 Cb 0.00 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 3k1x s SER 108 CO 0.00 -1.16 1.04 0.00 0.41 0.00 0.00 173.24 173.53 3k1x s LYS 110 N -3.19 3.84 0.12 0.00 1.02 0.99 -4.69 119.74 117.82 3k1x s LYS 110 Ca 0.67 0.58 -0.23 0.00 0.02 0.00 0.00 55.97 57.01 3k1x s LYS 110 Cb -0.17 -2.35 -0.07 0.00 -0.52 0.00 0.00 37.83 34.72 3k1x s LYS 110 CO 0.20 -0.05 0.71 1.03 -0.92 0.00 0.00 175.35 176.32 3k1x s ARG 111 N -3.76 4.45 0.06 1.68 0.52 -1.26 -4.59 118.95 116.04 3k1x s ARG 111 Ca 0.53 1.01 -0.11 0.00 -0.52 0.00 0.00 55.73 56.64 3k1x s ARG 111 Cb -0.10 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 3k1x s ARG 111 CO 0.29 0.55 0.76 0.41 0.02 0.00 0.00 175.30 177.33 3k1x n GLY 112 N 1.76 -1.58 0.20 -3.53 0.00 -0.36 -1.16 105.19 100.52 3k1x n GLY 112 Ca -0.07 0.54 0.11 0.00 0.00 0.00 0.00 46.02 46.61 3k1x n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k1x h PRO 113 N 0.00 0.00 -0.01 1.61 0.11 -1.84 -1.20 132.00 130.67 3k1x h PRO 113 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3k1x h PRO 113 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3k1x h PRO 113 CO -0.33 0.00 -0.14 0.54 -0.21 0.00 0.00 178.00 177.86 3k1x n ARG 114 N -2.35 1.41 -2.58 1.05 5.12 -0.31 -4.92 116.66 114.08 3k1x n ARG 114 Ca -0.01 -0.97 -0.31 0.00 -1.93 0.00 0.00 57.85 54.62 3k1x n ARG 114 Cb 0.17 -1.21 -0.03 0.00 -1.16 0.00 0.00 32.46 30.24 3k1x n ARG 114 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3k1x s THR 115 N -1.36 4.69 -0.07 0.55 -4.23 -0.45 -4.93 115.64 109.85 3k1x s THR 115 Ca 0.13 0.84 -0.26 0.00 -1.18 0.00 0.00 61.69 61.21 3k1x s THR 115 Cb 0.11 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 70.25 3k1x s THR 115 CO 0.24 -0.67 0.59 -1.38 -0.54 0.00 0.00 174.62 172.87 3k1x s HIS 116 N -2.57 -0.55 0.39 3.99 -3.43 -1.26 -4.85 115.29 107.00 3k1x s HIS 116 Ca 0.54 1.01 -0.24 0.00 -0.80 0.00 0.00 55.06 55.57 3k1x s HIS 116 Cb -0.10 0.32 -0.12 0.00 -1.43 0.00 0.00 32.58 31.24 3k1x s HIS 116 CO 0.34 -0.52 0.78 0.98 -2.00 0.00 0.00 174.74 174.32 3k1x n TYR 117 N 1.24 0.37 0.00 0.38 9.36 -1.26 -2.08 117.16 125.17 3k1x n TYR 117 Ca -0.19 0.63 0.00 0.00 3.32 0.00 0.00 57.90 61.66 3k1x n TYR 117 Cb 0.57 -2.11 0.00 0.00 -0.63 0.00 0.00 39.34 37.16 3k1x n TYR 117 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3k1x n GLY 118 N 1.50 2.97 3.76 2.98 0.00 -1.26 -5.06 105.19 110.09 3k1x n GLY 118 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3k1x n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1x s GLN 119 N -0.22 3.51 0.31 1.61 -0.21 -0.88 -4.93 119.66 118.85 3k1x s GLN 119 Ca 0.00 2.37 0.01 0.00 0.02 0.00 0.00 55.36 57.75 3k1x s GLN 119 Cb 0.00 -2.53 0.53 0.00 1.00 0.00 0.00 33.01 32.01 3k1x s GLN 119 CO 0.00 -0.94 1.94 -0.22 -2.12 0.00 0.00 175.29 173.95 3k1x h LYS 120 N 2.05 0.99 -1.48 2.91 3.64 -1.97 -3.17 116.57 119.54 3k1x h LYS 120 Ca -0.51 -0.06 0.43 0.00 -1.27 0.00 0.00 60.65 59.25 3k1x h LYS 120 Cb 1.28 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 3k1x h LYS 120 CO 0.60 0.65 1.04 0.00 -2.27 0.00 0.00 179.45 179.47 3k1x h ALA 121 N 1.52 3.27 -0.05 5.00 0.00 -1.92 -2.46 119.26 124.62 3k1x h ALA 121 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3k1x h ALA 121 Cb 0.08 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3k1x h ALA 121 CO -0.11 -1.74 0.00 0.44 0.00 0.00 0.00 179.25 177.85 3k1x n ILE 122 N -4.20 0.02 -3.91 0.00 -5.35 -1.20 -1.27 119.36 103.45 3k1x n ILE 122 Ca 0.34 -0.50 -0.35 0.00 -0.27 0.00 0.00 62.75 61.97 3k1x n ILE 122 Cb 1.52 1.42 -0.10 0.00 -1.74 0.00 0.00 39.64 40.74 3k1x n ILE 122 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3k1x s LEU 123 N -1.98 3.81 -0.05 7.28 1.43 -0.92 -4.25 118.68 124.00 3k1x s LEU 123 Ca 0.29 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 3k1x s LEU 123 Cb 0.20 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3k1x s LEU 123 CO 0.30 0.12 -0.08 -0.36 0.23 0.00 0.00 176.35 176.56 3k1x s PHE 124 N 0.68 1.05 -0.25 0.29 0.40 0.55 -3.64 117.98 117.05 3k1x s PHE 124 Ca 0.04 -0.34 -0.18 0.00 -0.60 0.00 0.00 56.93 55.85 3k1x s PHE 124 Cb -0.13 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 3k1x s PHE 124 CO 0.02 -0.21 0.52 -1.17 0.70 0.00 0.00 175.22 175.08 3k1x s LEU 125 N 0.71 4.07 0.16 -0.37 2.96 0.10 0.14 118.68 126.44 3k1x s LEU 125 Ca -0.12 0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 54.05 3k1x s LEU 125 Cb -0.14 -2.68 -0.07 0.00 0.50 0.00 0.00 46.19 43.80 3k1x s LEU 125 CO 0.02 -0.27 0.97 -2.84 -1.32 0.00 0.00 176.35 172.90 3k1x s PRO 126 N 2.20 4.74 -0.39 0.98 0.02 -1.26 -1.67 135.00 139.62 3k1x s PRO 126 Ca 0.22 1.48 0.01 0.00 0.02 0.00 0.00 61.00 62.73 3k1x s PRO 126 Cb -0.16 -3.34 0.14 0.00 0.02 0.00 0.00 34.50 31.16 3k1x s PRO 126 CO 0.09 0.30 0.22 -0.51 -0.33 0.00 0.00 177.00 176.76 3k1x s LEU 127 N -0.39 1.75 -0.42 -5.54 2.01 -0.59 -4.98 118.68 110.52 3k1x s LEU 127 Ca 0.45 -2.33 -0.28 0.00 0.01 0.00 0.00 54.13 51.98 3k1x s LEU 127 Cb -0.25 -0.69 -0.01 0.00 0.01 0.00 0.00 46.19 45.26 3k1x s LEU 127 CO 0.31 -0.30 1.69 -2.84 1.01 0.00 0.00 176.35 176.22 3k1x s PRO 128 N 0.81 3.26 0.23 1.29 0.02 -1.26 -1.48 135.00 137.86 3k1x s PRO 128 Ca 0.17 1.09 -0.30 0.00 0.02 0.00 0.00 61.00 61.98 3k1x s PRO 128 Cb -0.23 -4.19 -0.10 0.00 0.02 0.00 0.00 34.50 30.00 3k1x s PRO 128 CO -0.01 -1.96 1.49 0.14 -0.33 0.00 0.00 177.00 176.33 3k1x s VAL 129 N 6.90 2.61 0.00 3.83 -7.23 -0.20 -4.97 120.40 121.34 3k1x s VAL 129 Ca 0.71 0.49 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 3k1x s VAL 129 Cb -0.18 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.45 3k1x s VAL 129 CO 0.30 0.07 0.00 -1.20 -0.31 0.00 0.00 175.10 173.96