#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3j n THR 15 N 0.00 3.36 -0.08 0.00 -2.24 -1.26 -4.60 114.28 109.46 1k3j n THR 15 Ca 0.00 -2.36 -0.09 0.00 -2.27 0.00 0.00 64.05 59.33 1k3j n THR 15 Cb 0.00 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.37 1k3j n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1k3j h GLN 16 N 1.48 0.38 -0.17 -0.78 4.20 -2.06 -1.29 115.11 116.87 1k3j h GLN 16 Ca 0.60 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 59.13 1k3j h GLN 16 Cb 1.77 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 1k3j h GLN 16 CO 1.31 0.25 -0.55 0.00 -0.67 0.00 0.00 178.83 179.18 1k3j h ARG 17 N 0.39 0.52 -0.94 1.46 -0.00 -2.01 -3.09 114.38 110.71 1k3j h ARG 17 Ca 0.11 -0.32 0.02 0.00 -0.50 0.00 0.00 59.98 59.29 1k3j h ARG 17 Cb -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 29.97 29.91 1k3j h ARG 17 CO -0.02 0.93 0.62 0.35 0.00 0.00 0.00 179.97 181.85 1k3j h PHE 18 N 0.40 1.17 -0.89 3.04 3.04 -1.79 -1.40 116.94 120.50 1k3j h PHE 18 Ca 0.01 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1k3j h PHE 18 Cb 1.08 -0.39 -0.04 0.00 2.56 0.00 0.00 35.95 39.16 1k3j h PHE 18 CO 0.04 0.70 0.55 1.25 -2.02 0.00 0.00 178.31 178.84 1k3j h LEU 19 N 1.23 1.05 -0.66 0.59 6.46 -1.16 -2.37 115.31 120.46 1k3j h LEU 19 Ca 0.36 -0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.93 1k3j h LEU 19 Cb -0.06 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 1k3j h LEU 19 CO -0.10 0.80 -0.48 0.40 -0.62 0.00 0.00 178.44 178.44 1k3j h ILE 20 N 1.22 1.32 -0.84 4.05 1.08 -1.40 -3.01 117.51 119.93 1k3j h ILE 20 Ca 0.32 -1.69 0.07 0.00 -0.39 0.00 0.00 64.86 63.18 1k3j h ILE 20 Cb -0.08 1.70 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 1k3j h ILE 20 CO -0.06 0.52 0.54 -0.08 -0.69 0.00 0.00 178.15 178.38 1k3j h GLU 21 N 0.38 0.86 0.00 2.37 4.81 -0.75 0.17 114.58 122.41 1k3j h GLU 21 Ca 0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1k3j h GLU 21 Cb 0.98 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1k3j h GLU 21 CO 0.09 0.57 -0.14 0.87 -0.73 0.00 0.00 179.01 179.66 1k3j h LYS 22 N 0.88 0.00 -0.39 1.92 1.57 -1.37 -2.72 116.57 116.47 1k3j h LYS 22 Ca 0.37 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.19 1k3j h LYS 22 Cb 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1k3j h LYS 22 CO -0.14 0.14 0.15 0.35 -0.57 0.00 0.00 179.45 179.38 1k3j h PHE 23 N 0.00 0.27 0.01 -1.35 3.04 -0.68 -2.45 116.94 115.78 1k3j h PHE 23 Ca -0.00 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.76 1k3j h PHE 23 Cb 0.47 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1k3j h PHE 23 CO 0.00 0.12 -0.98 1.03 -2.02 0.00 0.00 178.31 176.46 1k3j h SER 24 N 0.32 0.04 -0.93 0.41 0.87 -1.57 -3.32 113.55 109.36 1k3j h SER 24 Ca 0.18 -0.04 -0.54 0.00 -1.23 0.00 0.00 61.79 60.16 1k3j h SER 24 Cb 0.14 -0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 61.94 1k3j h SER 24 CO -0.17 0.99 0.98 1.67 -0.53 0.00 0.00 176.83 179.78 1k3j n GLN 25 N -3.42 3.00 -2.51 2.24 7.27 -0.93 -4.95 117.38 118.08 1k3j n GLN 25 Ca -0.01 -2.50 -0.43 0.00 0.07 0.00 0.00 57.00 54.14 1k3j n GLN 25 Cb 0.91 -2.28 -0.02 0.00 2.41 0.00 0.00 30.24 31.25 1k3j n GLN 25 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1k3j s GLU 26 N -1.12 4.32 0.29 3.69 2.12 -1.19 -4.87 118.70 121.93 1k3j s GLU 26 Ca 0.59 1.59 -0.29 0.00 0.36 0.00 0.00 54.97 57.21 1k3j s GLU 26 Cb 0.32 -3.62 -0.10 0.00 0.26 0.00 0.00 34.13 30.98 1k3j s GLU 26 CO -0.16 -0.52 1.40 -1.14 -0.54 0.00 0.00 175.26 174.30 1k3j s GLN 27 N 2.65 4.29 0.17 4.30 0.74 -1.26 -4.98 119.66 125.56 1k3j s GLN 27 Ca 0.53 2.29 -0.28 0.00 0.05 0.00 0.00 55.36 57.95 1k3j s GLN 27 Cb -0.22 -3.09 -0.08 0.00 1.10 0.00 0.00 33.01 30.73 1k3j s GLN 27 CO 0.17 -0.35 0.86 0.42 -0.55 0.00 0.00 175.29 175.85 1k3j s ILE 28 N -0.48 4.33 0.00 -2.34 -1.09 -1.26 -4.82 121.20 115.55 1k3j s ILE 28 Ca 0.55 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.87 1k3j s ILE 28 Cb -0.41 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 1k3j s ILE 28 CO 0.48 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.26 1k3j n GLY 29 N 1.77 0.00 0.26 6.18 0.00 -1.26 -5.03 105.19 107.11 1k3j n GLY 29 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1k3j n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k3j h GLU 30 N 0.00 0.87 0.00 1.61 4.81 -2.02 -3.41 114.58 116.45 1k3j h GLU 30 Ca 0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1k3j h GLU 30 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1k3j h GLU 30 CO 0.00 0.66 -0.02 0.09 -0.73 0.00 0.00 179.01 179.02 1k3j n ASN 31 N -4.55 -0.08 -4.77 1.04 3.02 -1.26 -5.12 115.26 103.54 1k3j n ASN 31 Ca 0.04 -0.87 -0.39 0.00 -0.03 0.00 0.00 54.58 53.33 1k3j n ASN 31 Cb 0.09 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k3j s ILE 32 N 0.01 3.20 -0.21 2.41 -1.09 -1.26 -1.47 121.20 122.78 1k3j s ILE 32 Ca 0.00 1.11 -0.07 0.00 -2.23 0.00 0.00 60.65 59.46 1k3j s ILE 32 Cb 0.02 -3.66 -0.11 0.00 -1.58 0.00 0.00 42.46 37.13 1k3j s ILE 32 CO -0.01 0.19 -0.25 0.52 -1.23 0.00 0.00 174.94 174.16 1k3j n VAL 33 N 0.58 1.18 -3.58 2.92 0.31 0.27 -4.29 118.33 115.72 1k3j n VAL 33 Ca 0.02 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.86 1k3j n VAL 33 Cb 0.45 -1.61 -0.06 0.00 -0.91 0.00 0.00 33.84 31.70 1k3j n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k3j s ARG 35 N -0.50 2.98 -0.26 0.00 3.52 0.37 -1.45 118.95 123.61 1k3j s ARG 35 Ca -0.04 -0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 54.77 1k3j s ARG 35 Cb -0.02 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 1k3j s ARG 35 CO 0.03 0.41 0.18 0.14 -0.81 0.00 0.00 175.30 175.25 1k3j s VAL 36 N -0.16 5.33 -0.12 7.11 -7.23 -1.12 0.10 120.40 124.32 1k3j s VAL 36 Ca -0.00 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1k3j s VAL 36 Cb -0.13 -3.52 0.02 0.00 0.56 0.00 0.00 36.38 33.31 1k3j s VAL 36 CO 0.03 0.30 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.39 1k3j s ILE 37 N 1.40 1.19 -0.15 -0.62 1.01 0.25 -2.49 121.20 121.79 1k3j s ILE 37 Ca 0.08 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 1k3j s ILE 37 Cb -0.15 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1k3j s ILE 37 CO 0.08 0.39 0.84 0.00 0.00 0.00 0.00 174.94 176.25 1k3j n THR 39 N 4.59 0.90 1.78 0.00 5.66 -1.25 -4.08 114.28 121.88 1k3j n THR 39 Ca 0.04 -0.68 0.15 0.00 -3.05 0.00 0.00 64.05 60.52 1k3j n THR 39 Cb 0.49 -0.45 0.87 0.00 -1.55 0.00 0.00 70.33 69.70 1k3j n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1k3j n THR 40 N -2.67 0.00 -2.59 1.09 -2.24 -1.26 -4.95 114.28 101.66 1k3j n THR 40 Ca -0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1k3j n THR 40 Cb 0.84 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1k3j n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3j n GLY 41 N 1.09 -1.06 0.00 3.38 0.00 -1.26 -4.99 105.19 102.35 1k3j n GLY 41 Ca 0.20 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1k3j n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k3j n GLN 42 N -1.07 0.00 -5.11 1.61 6.02 -1.26 -5.11 117.38 112.46 1k3j n GLN 42 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.74 1k3j n GLN 42 Cb 0.43 -0.37 -0.16 0.00 1.02 0.00 0.00 30.24 31.17 1k3j n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k3j s ILE 43 N -1.00 1.84 0.26 5.09 1.01 -1.26 -4.17 121.20 122.97 1k3j s ILE 43 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 1k3j s ILE 43 Cb 0.00 -1.53 -0.09 0.00 0.01 0.00 0.00 42.46 40.85 1k3j s ILE 43 CO 0.00 0.49 1.13 -2.16 0.00 0.00 0.00 174.94 174.40 1k3j s PRO 44 N -0.63 4.59 0.40 2.79 0.04 -1.26 -4.23 135.00 136.71 1k3j s PRO 44 Ca 0.09 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 62.71 1k3j s PRO 44 Cb -0.09 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 1k3j s PRO 44 CO -0.01 0.13 1.34 -0.89 0.04 0.00 0.00 177.00 177.61 1k3j n ILE 45 N 1.45 2.35 -4.22 0.56 5.41 -1.26 -4.88 119.36 118.76 1k3j n ILE 45 Ca 0.00 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.13 1k3j n ILE 45 Cb 0.45 -1.69 -0.10 0.00 -0.71 0.00 0.00 39.64 37.59 1k3j n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1k3j s ARG 46 N -2.14 1.05 -0.20 0.38 3.52 -1.04 -5.05 118.95 115.48 1k3j s ARG 46 Ca 0.58 -1.50 -0.01 0.00 -0.13 0.00 0.00 55.73 54.67 1k3j s ARG 46 Cb -0.51 -0.16 0.01 0.00 -1.56 0.00 0.00 34.95 32.73 1k3j s ARG 46 CO 0.60 -0.15 -0.12 0.16 -0.81 0.00 0.00 175.30 174.98 1k3j s ASP 47 N -3.14 3.69 -0.12 -2.12 -4.77 -1.26 -2.77 116.67 106.18 1k3j s ASP 47 Ca 0.23 -0.54 -0.09 0.00 -3.30 0.00 0.00 52.55 48.85 1k3j s ASP 47 Cb 0.06 -1.60 -0.05 0.00 -1.09 0.00 0.00 42.92 40.25 1k3j s ASP 47 CO 0.03 -0.01 0.20 -0.76 0.70 0.00 0.00 175.17 175.32 1k3j s LEU 48 N 1.38 4.36 0.07 2.11 1.43 -0.53 -5.03 118.68 122.47 1k3j s LEU 48 Ca 0.05 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1k3j s LEU 48 Cb -0.14 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1k3j s LEU 48 CO -0.08 0.32 0.15 -0.94 0.23 0.00 0.00 176.35 176.03 1k3j s SER 49 N -0.65 0.17 -0.06 2.29 1.04 -1.26 -0.56 113.70 114.67 1k3j s SER 49 Ca 0.15 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 55.87 1k3j s SER 49 Cb -0.13 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1k3j s SER 49 CO 0.05 -0.66 0.18 0.00 0.98 0.00 0.00 173.24 173.78 1k3j s ALA 50 N -3.57 -0.43 0.14 5.32 0.00 -0.54 -4.76 121.76 117.91 1k3j s ALA 50 Ca 0.03 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1k3j s ALA 50 Cb 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1k3j s ALA 50 CO -0.09 -0.11 0.91 -0.51 0.00 0.00 0.00 175.76 175.95 1k3j s ASP 51 N -0.18 7.48 0.12 0.00 1.01 -1.26 -4.69 116.67 119.15 1k3j s ASP 51 Ca -0.03 1.77 -0.16 0.00 0.71 0.00 0.00 52.55 54.84 1k3j s ASP 51 Cb -0.02 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1k3j s ASP 51 CO 0.01 0.04 1.59 0.40 0.21 0.00 0.00 175.17 177.41 1k3j h ILE 52 N 3.74 1.24 -0.70 0.77 5.03 -1.99 -2.47 117.51 123.13 1k3j h ILE 52 Ca -0.44 -0.86 0.02 0.00 -0.12 0.00 0.00 64.86 63.45 1k3j h ILE 52 Cb 1.21 1.10 -0.04 0.00 -3.03 0.00 0.00 36.82 36.06 1k3j h ILE 52 CO 0.70 0.29 0.46 0.28 -0.68 0.00 0.00 178.15 179.20 1k3j h SER 53 N 0.44 0.78 -0.18 1.72 0.02 -1.93 0.19 113.55 114.58 1k3j h SER 53 Ca 0.11 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 1k3j h SER 53 Cb 0.37 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1k3j h SER 53 CO 0.01 0.55 -0.31 0.06 -1.14 0.00 0.00 176.83 176.00 1k3j h GLN 54 N 0.92 0.68 -0.37 3.45 3.07 -1.97 -0.62 115.11 120.27 1k3j h GLN 54 Ca 0.27 -0.31 -0.12 0.00 0.09 0.00 0.00 58.65 58.58 1k3j h GLN 54 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.47 1k3j h GLN 54 CO -0.07 0.91 -0.22 0.28 0.09 0.00 0.00 178.83 179.81 1k3j h VAL 55 N 0.58 1.28 -0.01 1.86 2.07 -0.94 -2.71 116.25 118.38 1k3j h VAL 55 Ca 0.07 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.10 1k3j h VAL 55 Cb 0.82 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1k3j h VAL 55 CO 0.07 0.45 -0.55 -0.07 0.02 0.00 0.00 177.57 177.49 1k3j h LEU 56 N 0.61 0.02 -0.29 2.57 3.38 -0.56 -3.16 115.31 117.88 1k3j h LEU 56 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1k3j h LEU 56 Cb 0.78 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1k3j h LEU 56 CO 0.06 0.57 0.06 0.50 0.09 0.00 0.00 178.44 179.72 1k3j h LYS 57 N 0.01 0.48 -4.11 1.13 3.64 -0.97 -3.38 116.57 113.38 1k3j h LYS 57 Ca -0.01 -0.12 -0.75 0.00 -1.27 0.00 0.00 60.65 58.50 1k3j h LYS 57 Cb 0.98 -0.06 -0.26 0.00 -0.41 0.00 0.00 32.23 32.48 1k3j h LYS 57 CO 0.07 0.57 -0.23 -2.00 -2.27 0.00 0.00 179.45 175.58 1k3j s GLU 58 N -5.25 2.92 -0.49 1.90 2.12 -1.04 -4.91 118.70 113.95 1k3j s GLU 58 Ca -0.13 -1.80 0.02 0.00 0.36 0.00 0.00 54.97 53.41 1k3j s GLU 58 Cb 0.08 -4.22 0.55 0.00 0.26 0.00 0.00 34.13 30.81 1k3j s GLU 58 CO 0.74 -1.29 1.92 1.17 -0.54 0.00 0.00 175.26 177.26 1k3j n LYS 59 N 5.03 2.30 0.07 4.30 0.00 -1.26 -4.59 118.16 124.00 1k3j n LYS 59 Ca -0.10 -2.87 -0.03 0.00 0.00 0.00 0.00 58.31 55.30 1k3j n LYS 59 Cb 0.41 -2.13 -0.02 0.00 0.00 0.00 0.00 35.03 33.29 1k3j n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k3j h ARG 60 N 1.28 -0.21 0.00 1.64 3.08 -1.91 -3.49 114.38 114.77 1k3j h ARG 60 Ca 0.58 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1k3j h ARG 60 Cb 2.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.16 1k3j h ARG 60 CO 1.19 -0.14 0.00 0.43 -1.07 0.00 0.00 179.97 180.38 1k3j n SER 61 N -3.47 0.00 -4.50 7.04 7.64 -1.26 -5.08 113.62 113.99 1k3j n SER 61 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.55 1k3j n SER 61 Cb 0.09 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.17 1k3j n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1k3j s ILE 62 N -0.98 2.95 0.11 0.44 1.10 -1.26 -4.30 121.20 119.26 1k3j s ILE 62 Ca 0.00 -1.36 0.00 0.00 -0.51 0.00 0.00 60.65 58.78 1k3j s ILE 62 Cb 0.00 -2.33 0.00 0.00 0.15 0.00 0.00 42.46 40.28 1k3j s ILE 62 CO 0.00 0.17 0.00 0.29 -2.11 0.00 0.00 174.94 173.29 1k3j n LYS 63 N 1.00 0.00 -3.74 3.50 4.76 -1.08 -4.94 118.16 117.66 1k3j n LYS 63 Ca -0.15 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.16 1k3j n LYS 63 Cb 0.52 -0.20 -0.13 0.00 -1.84 0.00 0.00 35.03 33.38 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1k3j s LYS 64 N -1.62 0.18 -0.02 1.97 2.20 -1.18 -5.01 119.74 116.26 1k3j s LYS 64 Ca 0.00 0.47 0.05 0.00 -0.36 0.00 0.00 55.97 56.13 1k3j s LYS 64 Cb 0.00 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 1k3j s LYS 64 CO 0.00 -0.16 -0.17 0.08 -0.36 0.00 0.00 175.35 174.75 1k3j s VAL 65 N 1.17 1.34 -0.12 4.02 1.01 -1.26 -0.77 120.40 125.79 1k3j s VAL 65 Ca -0.09 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1k3j s VAL 65 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1k3j s VAL 65 CO -0.07 0.38 0.12 0.26 0.00 0.00 0.00 175.10 175.79 1k3j s TRP 66 N -0.31 3.54 -0.16 5.22 0.51 0.53 -4.87 118.94 123.39 1k3j s TRP 66 Ca 0.05 0.48 -0.02 0.00 -2.12 0.00 0.00 56.10 54.48 1k3j s TRP 66 Cb -0.07 -1.93 -0.02 0.00 -0.81 0.00 0.00 33.47 30.64 1k3j s TRP 66 CO -0.00 0.70 -0.07 0.99 -0.51 0.00 0.00 176.95 178.06 1k3j s THR 67 N -0.98 3.48 0.06 2.01 2.01 -1.26 0.12 115.64 121.07 1k3j s THR 67 Ca 0.15 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.75 1k3j s THR 67 Cb -0.12 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1k3j s THR 67 CO 0.04 0.49 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.84 1k3j s PHE 68 N 0.62 2.34 -4.12 4.92 0.40 0.39 0.15 117.98 122.68 1k3j s PHE 68 Ca -0.04 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1k3j s PHE 68 Cb -0.15 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1k3j s PHE 68 CO 0.03 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.52 1k3j n GLY 69 N 1.63 -1.33 0.00 4.36 0.00 -1.05 0.20 105.19 108.99 1k3j n GLY 69 Ca -0.17 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 44.83 1k3j n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k3j n ARG 70 N 0.00 0.93 -2.98 1.61 0.63 0.11 -2.31 116.66 114.65 1k3j n ARG 70 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 1k3j n ARG 70 Cb 0.00 -1.43 -0.05 0.00 0.45 0.00 0.00 32.46 31.43 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1k3j s ASN 71 N -1.87 7.15 0.19 6.15 3.04 0.16 -4.84 114.94 124.91 1k3j s ASN 71 Ca 0.38 1.37 0.19 0.00 0.04 0.00 0.00 52.86 54.85 1k3j s ASN 71 Cb 0.18 -2.46 0.85 0.00 -1.54 0.00 0.00 41.25 38.28 1k3j s ASN 71 CO 0.29 -0.06 1.58 -2.65 -3.04 0.00 0.00 177.10 173.23 1k3j n PRO 72 N 3.26 0.12 0.04 0.43 -0.02 -1.26 -2.09 135.00 135.48 1k3j n PRO 72 Ca -0.01 0.43 -0.21 0.00 -2.02 0.00 0.00 63.50 61.69 1k3j n PRO 72 Cb 0.51 -1.77 -0.14 0.00 -0.02 0.00 0.00 33.50 32.07 1k3j n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k3j h ALA 73 N 2.24 0.03 -1.18 3.55 0.00 -1.93 -3.47 119.26 118.50 1k3j h ALA 73 Ca 0.00 -0.90 -0.64 0.00 0.00 0.00 0.00 54.91 53.37 1k3j h ALA 73 Cb 0.24 0.29 0.12 0.00 0.00 0.00 0.00 17.79 18.44 1k3j h ALA 73 CO 0.00 0.62 -0.64 0.00 0.00 0.00 0.00 179.25 179.23 1k3j h ASP 75 N 0.79 0.00 -3.37 0.00 5.19 0.11 -3.38 116.42 115.75 1k3j h ASP 75 Ca -0.30 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.61 1k3j h ASP 75 Cb 1.42 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.58 1k3j h ASP 75 CO 0.53 0.00 -0.81 -0.47 -3.12 0.00 0.00 179.24 175.37 1k3j s TYR 76 N -4.00 1.37 -0.41 4.55 5.04 -0.49 -4.94 117.35 118.47 1k3j s TYR 76 Ca -0.04 -0.54 -0.13 0.00 -2.44 0.00 0.00 57.07 53.92 1k3j s TYR 76 Cb 0.10 -1.06 0.04 0.00 0.35 0.00 0.00 41.96 41.39 1k3j s TYR 76 CO 0.30 -0.32 0.28 -1.58 -1.34 0.00 0.00 175.55 172.89 1k3j s HIS 77 N 0.94 3.25 0.45 4.97 2.46 -1.26 -2.54 115.29 123.55 1k3j s HIS 77 Ca -0.10 -0.86 -0.06 0.00 0.47 0.00 0.00 55.06 54.51 1k3j s HIS 77 Cb -0.15 -2.67 0.10 0.00 -0.13 0.00 0.00 32.58 29.73 1k3j s HIS 77 CO 0.01 -0.67 0.61 1.28 -2.47 0.00 0.00 174.74 173.49 1k3j n LEU 78 N 5.09 0.00 0.00 8.88 4.77 -0.98 -4.73 117.00 130.03 1k3j n LEU 78 Ca -0.11 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1k3j n LEU 78 Cb 0.46 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1k3j n LEU 78 CO 0.40 -0.91 0.01 0.61 -1.33 0.00 0.00 177.39 176.17 1k3j n GLY 79 N 0.91 -0.72 2.65 -0.72 0.00 -1.26 -4.91 105.19 101.13 1k3j n GLY 79 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1k3j n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k3j n ASN 80 N -0.03 -1.07 -4.44 1.61 6.94 -1.26 -5.03 115.26 111.97 1k3j n ASN 80 Ca 0.00 -1.46 -0.35 0.00 -0.02 0.00 0.00 54.58 52.75 1k3j n ASN 80 Cb 0.00 0.55 -0.13 0.00 -2.36 0.00 0.00 39.78 37.84 1k3j n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1k3j s ILE 81 N 0.13 3.97 0.35 1.53 -1.09 -1.26 -4.99 121.20 119.84 1k3j s ILE 81 Ca 0.25 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.40 1k3j s ILE 81 Cb 0.20 -2.80 0.22 0.00 -1.58 0.00 0.00 42.46 38.49 1k3j s ILE 81 CO -0.06 0.42 1.96 -1.28 -1.23 0.00 0.00 174.94 174.74 1k3j h SER 82 N 7.62 0.60 0.08 3.58 0.87 -2.01 -1.46 113.55 122.83 1k3j h SER 82 Ca -0.37 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1k3j h SER 82 Cb 1.18 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1k3j h SER 82 CO 0.61 0.52 -0.01 0.03 -0.53 0.00 0.00 176.83 177.45 1k3j h ARG 83 N 0.67 0.00 -6.19 2.24 3.08 -1.92 -3.42 114.38 108.85 1k3j h ARG 83 Ca 0.17 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.66 1k3j h ARG 83 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1k3j h ARG 83 CO -0.02 0.01 -0.33 -0.51 -1.07 0.00 0.00 179.97 178.05 1k3j s LEU 84 N -6.74 4.25 0.38 3.04 1.43 -0.55 -4.51 118.68 115.98 1k3j s LEU 84 Ca -0.05 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1k3j s LEU 84 Cb 0.13 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1k3j s LEU 84 CO 0.47 0.01 0.56 -0.94 0.23 0.00 0.00 176.35 176.68 1k3j s SER 85 N -2.77 5.92 0.23 2.29 1.04 -1.26 -4.84 113.70 114.30 1k3j s SER 85 Ca 0.40 0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.70 1k3j s SER 85 Cb -0.12 -1.39 0.24 0.00 0.10 0.00 0.00 66.02 64.85 1k3j s SER 85 CO 0.27 -0.54 1.56 0.78 0.98 0.00 0.00 173.24 176.29 1k3j h ASN 86 N 0.67 -1.31 -3.55 7.02 -0.26 -1.92 -2.04 115.58 114.20 1k3j h ASN 86 Ca -0.46 0.29 -0.63 0.00 -0.56 0.00 0.00 56.30 54.94 1k3j h ASN 86 Cb 1.25 0.70 -0.42 0.00 -1.06 0.00 0.00 38.32 38.80 1k3j h ASN 86 CO 0.55 -0.29 -0.59 -0.54 -1.06 0.00 0.00 177.43 175.50 1k3j s LYS 87 N -5.99 2.31 0.15 0.81 1.02 -1.26 0.37 119.74 117.14 1k3j s LYS 87 Ca -0.14 -3.10 -0.16 0.00 0.02 0.00 0.00 55.97 52.58 1k3j s LYS 87 Cb 0.20 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1k3j s LYS 87 CO 0.72 -1.23 1.79 1.25 -0.92 0.00 0.00 175.35 176.96 1k3j h HIS 88 N 5.78 0.50 -4.08 3.18 2.76 0.26 -3.35 115.15 120.19 1k3j h HIS 88 Ca 0.07 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 1k3j h HIS 88 Cb 0.80 -0.17 -0.14 0.00 1.55 0.00 0.00 27.41 29.45 1k3j h HIS 88 CO 0.63 0.34 -0.50 -0.59 -1.30 0.00 0.00 177.93 176.51 1k3j s PHE 89 N -6.06 0.48 -0.02 5.26 -0.71 -0.04 0.16 117.98 117.04 1k3j s PHE 89 Ca -0.13 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 54.87 1k3j s PHE 89 Cb 0.10 -0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.68 1k3j s PHE 89 CO 0.73 -0.54 -0.04 -0.65 -1.34 0.00 0.00 175.22 173.37 1k3j s GLN 90 N -3.95 0.55 -0.14 1.99 -0.21 0.48 0.15 119.66 118.53 1k3j s GLN 90 Ca 0.13 -0.13 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 1k3j s GLN 90 Cb 0.06 -0.58 -0.02 0.00 1.00 0.00 0.00 33.01 33.48 1k3j s GLN 90 CO -0.05 0.02 -0.11 0.42 -2.12 0.00 0.00 175.29 173.45 1k3j s ILE 91 N 0.38 3.19 0.08 1.08 1.01 0.32 0.19 121.20 127.45 1k3j s ILE 91 Ca -0.04 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1k3j s ILE 91 Cb -0.08 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1k3j s ILE 91 CO -0.00 0.51 -0.13 -1.48 0.00 0.00 0.00 174.94 173.84 1k3j s LEU 92 N 0.44 2.90 -0.13 2.97 2.34 0.60 0.20 118.68 128.00 1k3j s LEU 92 Ca -0.09 -0.39 0.01 0.00 0.06 0.00 0.00 54.13 53.72 1k3j s LEU 92 Cb -0.15 -1.71 0.02 0.00 -0.56 0.00 0.00 46.19 43.79 1k3j s LEU 92 CO 0.04 0.21 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.18 1k3j s LEU 93 N -1.90 1.69 0.00 1.48 2.96 0.05 -0.26 118.68 122.69 1k3j s LEU 93 Ca 0.19 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1k3j s LEU 93 Cb -0.11 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 93 CO 0.10 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 1k3j n GLY 94 N 4.47 3.31 5.41 7.98 0.00 -1.01 -2.64 105.19 122.71 1k3j n GLY 94 Ca -0.18 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 44.70 1k3j n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k3j n GLU 95 N 0.00 -0.80 -1.33 1.61 4.71 -1.26 -2.28 120.64 121.29 1k3j n GLU 95 Ca 0.00 0.53 -0.38 0.00 -0.01 0.00 0.00 57.16 57.30 1k3j n GLU 95 Cb 0.00 -0.98 -0.02 0.00 -1.01 0.00 0.00 31.44 29.43 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1k3j n ASP 96 N -3.40 7.07 0.00 1.62 9.92 -1.26 -4.16 116.55 126.34 1k3j n ASP 96 Ca 0.00 -2.60 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 1k3j n ASP 96 Cb 0.18 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.15 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k3j n GLY 97 N 3.75 2.89 3.66 0.44 0.00 -1.24 -4.77 105.19 109.92 1k3j n GLY 97 Ca 0.68 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.34 1k3j n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k3j n ASN 98 N 0.00 1.17 -4.24 1.61 2.85 -0.97 -4.88 115.26 110.81 1k3j n ASN 98 Ca 0.00 0.76 -0.23 0.00 -0.11 0.00 0.00 54.58 55.00 1k3j n ASN 98 Cb 0.00 -1.46 -0.13 0.00 1.24 0.00 0.00 39.78 39.43 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1k3j s LEU 99 N -3.38 2.24 0.03 1.20 0.20 -1.26 -2.40 118.68 115.30 1k3j s LEU 99 Ca 0.78 -0.59 0.03 0.00 0.69 0.00 0.00 54.13 55.04 1k3j s LEU 99 Cb -0.38 -0.81 -0.02 0.00 -0.43 0.00 0.00 46.19 44.55 1k3j s LEU 99 CO 0.45 0.07 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.71 1k3j s LEU 100 N -1.55 2.16 -0.15 -0.68 2.01 0.63 -2.21 118.68 118.89 1k3j s LEU 100 Ca 0.05 -0.41 -0.02 0.00 0.01 0.00 0.00 54.13 53.76 1k3j s LEU 100 Cb -0.09 -0.41 -0.02 0.00 0.01 0.00 0.00 46.19 45.68 1k3j s LEU 100 CO 0.03 -0.03 -0.10 -0.76 1.01 0.00 0.00 176.35 176.51 1k3j s LEU 101 N -1.05 2.86 -0.22 1.79 1.43 -0.05 -0.29 118.68 123.15 1k3j s LEU 101 Ca -0.02 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1k3j s LEU 101 Cb -0.07 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1k3j s LEU 101 CO 0.01 0.13 -0.15 0.21 0.23 0.00 0.00 176.35 176.78 1k3j s ASN 102 N 0.58 3.75 0.16 2.29 2.47 0.51 -1.93 114.94 122.76 1k3j s ASN 102 Ca -0.06 -0.94 -0.30 0.00 0.42 0.00 0.00 52.86 51.98 1k3j s ASN 102 Cb -0.15 -1.53 -0.07 0.00 -1.45 0.00 0.00 41.25 38.05 1k3j s ASN 102 CO 0.03 -0.08 1.02 1.51 -3.72 0.00 0.00 177.10 175.86 1k3j s ASP 103 N 1.23 7.41 -0.28 -4.21 1.47 -1.25 0.18 116.67 121.22 1k3j s ASP 103 Ca -0.00 1.95 0.21 0.00 1.18 0.00 0.00 52.55 55.89 1k3j s ASP 103 Cb -0.16 -2.60 0.49 0.00 -0.34 0.00 0.00 42.92 40.31 1k3j s ASP 103 CO -0.09 -0.11 1.19 2.30 0.68 0.00 0.00 175.17 179.15 1k3j n ILE 104 N 2.41 1.02 -3.81 2.11 -5.35 -0.64 0.19 119.36 115.29 1k3j n ILE 104 Ca 0.02 -2.55 -0.30 0.00 -0.27 0.00 0.00 62.75 59.64 1k3j n ILE 104 Cb 0.47 1.25 -0.04 0.00 -1.74 0.00 0.00 39.64 39.58 1k3j n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1k3j s SER 105 N -3.29 6.41 0.31 7.28 0.01 0.42 -4.19 113.70 120.65 1k3j s SER 105 Ca 0.24 0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.96 1k3j s SER 105 Cb 0.35 -2.01 0.51 0.00 0.21 0.00 0.00 66.02 65.08 1k3j s SER 105 CO -0.06 0.09 1.73 0.74 0.41 0.00 0.00 173.24 176.15 1k3j h THR 106 N 1.97 1.30 0.00 1.44 2.02 -1.87 -3.15 112.91 114.63 1k3j h THR 106 Ca -0.46 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1k3j h THR 106 Cb 1.17 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1k3j h THR 106 CO 0.73 0.44 -1.83 0.59 0.37 0.00 0.00 175.52 175.82 1k3j n ASN 107 N -4.04 0.15 0.00 4.18 3.02 -1.26 -5.09 115.26 112.21 1k3j n ASN 107 Ca -0.01 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1k3j n ASN 107 Cb 0.46 1.75 0.00 0.00 -0.61 0.00 0.00 39.78 41.38 1k3j n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 108 N 1.26 3.25 3.36 7.41 0.00 -1.19 -4.89 105.19 114.38 1k3j n GLY 108 Ca -0.03 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 1k3j n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k3j s THR 109 N -2.73 2.49 0.10 2.61 2.01 -1.26 -4.40 115.64 114.45 1k3j s THR 109 Ca 0.00 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1k3j s THR 109 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1k3j s THR 109 CO 0.00 0.58 -0.17 0.26 -0.69 0.00 0.00 174.62 174.60 1k3j s TRP 110 N -0.46 2.57 -0.21 4.92 0.51 0.35 -2.48 118.94 124.13 1k3j s TRP 110 Ca 0.05 -0.25 0.01 0.00 -2.12 0.00 0.00 56.10 53.80 1k3j s TRP 110 Cb -0.12 -1.38 0.05 0.00 -0.81 0.00 0.00 33.47 31.21 1k3j s TRP 110 CO 0.01 0.36 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.55 1k3j s LEU 111 N -1.98 2.44 -1.68 2.99 2.96 0.68 0.14 118.68 124.23 1k3j s LEU 111 Ca 0.18 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 52.96 1k3j s LEU 111 Cb -0.11 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 111 CO 0.09 -0.17 0.56 0.59 -1.32 0.00 0.00 176.35 176.10 1k3j n ASN 112 N 4.66 -1.77 0.00 3.68 3.02 -1.16 0.55 115.26 124.24 1k3j n ASN 112 Ca -0.14 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1k3j n ASN 112 Cb 0.46 -2.33 0.00 0.00 -0.61 0.00 0.00 39.78 37.30 1k3j n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 113 N -1.59 2.79 3.49 7.41 0.00 -1.26 -5.01 105.19 111.01 1k3j n GLY 113 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1k3j n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k3j s GLN 114 N -0.49 3.63 0.28 1.61 2.00 0.19 -5.07 119.66 121.82 1k3j s GLN 114 Ca 0.00 -0.52 -0.29 0.00 -2.00 0.00 0.00 55.36 52.55 1k3j s GLN 114 Cb 0.00 -3.51 -0.10 0.00 0.80 0.00 0.00 33.01 30.20 1k3j s GLN 114 CO 0.00 -0.27 1.22 0.21 -0.50 0.00 0.00 175.29 175.96 1k3j s LYS 115 N 1.66 4.47 0.35 1.67 2.20 -1.26 -0.23 119.74 128.60 1k3j s LYS 115 Ca 0.06 2.02 0.07 0.00 -0.36 0.00 0.00 55.97 57.76 1k3j s LYS 115 Cb -0.16 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1k3j s LYS 115 CO 0.07 -0.04 0.32 0.14 -0.36 0.00 0.00 175.35 175.47 1k3j s VAL 116 N -0.90 3.43 0.01 4.02 -7.23 -1.04 -4.89 120.40 113.80 1k3j s VAL 116 Ca 0.49 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.01 1k3j s VAL 116 Cb -0.36 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 1k3j s VAL 116 CO 0.45 -0.15 1.44 -1.61 -0.31 0.00 0.00 175.10 174.93 1k3j s GLU 117 N -4.03 4.27 1.01 4.82 2.02 -1.26 -4.67 118.70 120.86 1k3j s GLU 117 Ca 0.42 2.02 -0.14 0.00 0.02 0.00 0.00 54.97 57.29 1k3j s GLU 117 Cb -0.06 -3.59 0.06 0.00 0.10 0.00 0.00 34.13 30.65 1k3j s GLU 117 CO 0.27 -0.61 0.30 1.17 0.02 0.00 0.00 175.26 176.41 1k3j n LYS 118 N 5.47 -0.73 -2.71 1.61 4.81 -1.26 -2.27 118.16 123.07 1k3j n LYS 118 Ca 0.14 -0.18 -0.15 0.00 -0.87 0.00 0.00 58.31 57.25 1k3j n LYS 118 Cb 0.43 -1.82 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 1k3j n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1k3j n ASN 119 N -1.53 -0.95 -4.56 3.14 3.02 0.51 -4.85 115.26 110.03 1k3j n ASN 119 Ca 0.05 -0.26 -0.32 0.00 -0.03 0.00 0.00 54.58 54.02 1k3j n ASN 119 Cb 0.56 -0.87 -0.11 0.00 -0.61 0.00 0.00 39.78 38.75 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1k3j s SER 120 N -1.94 4.42 -0.09 6.41 0.15 -0.96 -4.91 113.70 116.79 1k3j s SER 120 Ca 0.29 -0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.49 1k3j s SER 120 Cb -0.17 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 1k3j s SER 120 CO 0.35 0.26 0.62 0.20 1.20 0.00 0.00 173.24 175.88 1k3j s ASN 121 N -1.52 6.88 0.07 5.45 -0.87 -1.26 -3.86 114.94 119.83 1k3j s ASN 121 Ca 0.17 1.06 0.06 0.00 -1.57 0.00 0.00 52.86 52.58 1k3j s ASN 121 Cb -0.11 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.72 1k3j s ASN 121 CO 0.08 -0.08 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.27 1k3j s GLN 122 N 0.76 0.94 -0.08 -0.60 -1.52 -0.81 -4.91 119.66 113.43 1k3j s GLN 122 Ca 0.33 -0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 52.51 1k3j s GLN 122 Cb -0.17 -1.00 -0.04 0.00 -0.22 0.00 0.00 33.01 31.58 1k3j s GLN 122 CO 0.15 0.23 1.36 -1.17 -0.25 0.00 0.00 175.29 175.62 1k3j s LEU 123 N -1.56 4.26 0.81 2.90 2.96 -1.26 -0.87 118.68 125.91 1k3j s LEU 123 Ca 0.01 1.92 -0.14 0.00 -0.22 0.00 0.00 54.13 55.71 1k3j s LEU 123 Cb -0.09 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.12 1k3j s LEU 123 CO 0.02 -0.76 1.11 -0.11 -1.32 0.00 0.00 176.35 175.30 1k3j n LEU 124 N 6.18 3.93 -4.32 -0.68 7.94 -0.94 -4.89 117.00 124.22 1k3j n LEU 124 Ca 0.14 0.58 -0.23 0.00 -1.11 0.00 0.00 56.01 55.39 1k3j n LEU 124 Cb 0.44 -1.47 -0.12 0.00 0.53 0.00 0.00 43.42 42.80 1k3j n LEU 124 CO 0.58 -1.90 -0.50 -0.94 -1.11 0.00 0.00 177.39 173.53 1k3j s SER 125 N -2.06 2.68 -0.09 1.96 1.04 -1.26 -4.99 113.70 110.99 1k3j s SER 125 Ca 0.72 -0.80 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 1k3j s SER 125 Cb -0.29 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1k3j s SER 125 CO 0.52 0.00 1.42 -1.10 0.98 0.00 0.00 173.24 175.06 1k3j s GLN 126 N -2.50 4.23 -2.11 4.02 -1.52 -1.26 -2.55 119.66 117.97 1k3j s GLN 126 Ca 0.13 1.90 0.00 0.00 -1.95 0.00 0.00 55.36 55.44 1k3j s GLN 126 Cb -0.07 -3.78 0.00 0.00 -0.22 0.00 0.00 33.01 28.94 1k3j s GLN 126 CO 0.06 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.80 1k3j n GLY 127 N 3.77 1.43 3.24 3.09 0.00 -0.90 -4.95 105.19 110.89 1k3j n GLY 127 Ca 0.15 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1k3j n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k3j n ASP 128 N -1.49 -2.80 -3.78 1.61 2.03 -0.92 -4.45 116.55 106.76 1k3j n ASP 128 Ca -0.22 -0.37 -0.13 0.00 0.52 0.00 0.00 54.79 54.60 1k3j n ASP 128 Cb 0.68 -0.98 -0.13 0.00 -0.72 0.00 0.00 41.12 39.97 1k3j n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1k3j s GLU 129 N -3.99 0.19 -0.15 -0.67 2.02 -1.26 0.10 118.70 114.95 1k3j s GLU 129 Ca 0.57 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.90 1k3j s GLU 129 Cb -0.14 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.07 1k3j s GLU 129 CO 0.57 -0.09 -0.12 0.42 0.02 0.00 0.00 175.26 176.06 1k3j s ILE 130 N 0.62 3.08 -0.11 -1.63 1.01 0.33 -2.99 121.20 121.50 1k3j s ILE 130 Ca -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1k3j s ILE 130 Cb -0.06 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1k3j s ILE 130 CO -0.03 0.51 0.05 -0.89 0.00 0.00 0.00 174.94 174.58 1k3j s THR 131 N 0.54 4.76 0.05 2.92 2.01 0.38 0.42 115.64 126.71 1k3j s THR 131 Ca -0.08 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1k3j s THR 131 Cb -0.16 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1k3j s THR 131 CO 0.04 0.59 -0.02 0.68 -0.69 0.00 0.00 174.62 175.21 1k3j s VAL 132 N -0.72 0.20 0.00 3.82 -7.23 0.26 0.13 120.40 116.86 1k3j s VAL 132 Ca 0.12 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1k3j s VAL 132 Cb -0.12 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1k3j s VAL 132 CO 0.02 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 1k3j n GLY 133 N 0.38 0.87 3.76 2.32 0.00 -1.26 0.33 105.19 111.59 1k3j n GLY 133 Ca -0.16 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1k3j n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3j s VAL 134 N -2.15 3.44 0.00 1.61 1.01 -1.26 -3.62 120.40 119.42 1k3j s VAL 134 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1k3j s VAL 134 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1k3j s VAL 134 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1k3j n GLY 135 N 1.11 2.16 3.15 4.51 0.00 -1.26 -4.99 105.19 109.87 1k3j n GLY 135 Ca -0.01 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1k3j n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3j s VAL 136 N 0.00 1.39 0.27 1.61 1.01 -1.26 -5.04 120.40 118.38 1k3j s VAL 136 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1k3j s VAL 136 Cb 0.00 -1.18 0.25 0.00 0.00 0.00 0.00 36.38 35.45 1k3j s VAL 136 CO 0.00 0.40 1.73 -0.08 0.00 0.00 0.00 175.10 177.15 1k3j h GLU 137 N 6.00 0.50 -0.32 2.72 4.22 -1.99 -0.00 114.58 125.70 1k3j h GLU 137 Ca -0.35 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.06 1k3j h GLU 137 Cb 1.16 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1k3j h GLU 137 CO 0.48 0.33 0.00 0.45 -2.18 0.00 0.00 179.01 178.09 1k3j n SER 138 N -4.96 2.41 -0.78 1.04 2.88 -1.26 -4.17 113.62 108.78 1k3j n SER 138 Ca 0.18 -1.87 0.03 0.00 -1.33 0.00 0.00 58.87 55.87 1k3j n SER 138 Cb 0.50 -0.21 0.20 0.00 -0.75 0.00 0.00 64.21 63.95 1k3j n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k3j n ASP 139 N 0.81 2.37 -4.66 -3.46 -0.08 -0.02 -5.00 116.55 106.51 1k3j n ASP 139 Ca 0.17 -3.63 -0.35 0.00 -1.51 0.00 0.00 54.79 49.47 1k3j n ASP 139 Cb 0.43 -0.56 -0.10 0.00 2.34 0.00 0.00 41.12 43.23 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1k3j s ILE 140 N -3.14 4.22 -0.06 5.18 1.01 -1.21 -4.43 121.20 122.77 1k3j s ILE 140 Ca 0.40 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1k3j s ILE 140 Cb 0.37 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1k3j s ILE 140 CO -0.01 0.60 -0.23 -0.22 0.00 0.00 0.00 174.94 175.08 1k3j s LEU 141 N -0.81 2.03 0.12 2.97 0.20 0.15 -4.98 118.68 118.37 1k3j s LEU 141 Ca 0.12 -0.48 0.07 0.00 0.69 0.00 0.00 54.13 54.53 1k3j s LEU 141 Cb -0.11 -1.29 -0.04 0.00 -0.43 0.00 0.00 46.19 44.32 1k3j s LEU 141 CO 0.02 0.21 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.69 1k3j s SER 142 N -0.03 4.65 0.03 3.68 0.15 -1.26 0.91 113.70 121.83 1k3j s SER 142 Ca -0.06 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.28 1k3j s SER 142 Cb -0.14 -0.97 -0.02 0.00 -1.71 0.00 0.00 66.02 63.18 1k3j s SER 142 CO 0.04 0.16 -0.08 -0.76 1.20 0.00 0.00 173.24 173.80 1k3j s LEU 143 N -2.41 2.19 -0.07 3.45 2.01 0.17 -3.88 118.68 120.13 1k3j s LEU 143 Ca 0.24 -0.44 0.02 0.00 0.01 0.00 0.00 54.13 53.96 1k3j s LEU 143 Cb -0.11 -0.23 -0.02 0.00 0.01 0.00 0.00 46.19 45.84 1k3j s LEU 143 CO 0.16 -0.12 -0.13 -0.69 1.01 0.00 0.00 176.35 176.58 1k3j s VAL 144 N -1.04 3.13 -0.24 -1.59 1.01 0.37 0.12 120.40 122.16 1k3j s VAL 144 Ca -0.06 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1k3j s VAL 144 Cb -0.08 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1k3j s VAL 144 CO 0.00 0.57 0.06 -0.63 0.00 0.00 0.00 175.10 175.11 1k3j s ILE 145 N -0.46 4.29 -0.27 2.22 1.01 0.28 0.84 121.20 129.11 1k3j s ILE 145 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 1k3j s ILE 145 Cb -0.12 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1k3j s ILE 145 CO 0.02 0.35 0.03 -0.36 0.00 0.00 0.00 174.94 174.98 1k3j s PHE 146 N 1.50 3.11 0.02 3.97 0.40 0.29 -2.12 117.98 125.15 1k3j s PHE 146 Ca 0.06 -1.10 -0.25 0.00 -0.60 0.00 0.00 56.93 55.03 1k3j s PHE 146 Cb -0.15 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 1k3j s PHE 146 CO 0.03 -0.60 0.77 0.42 0.70 0.00 0.00 175.22 176.54 1k3j s ILE 147 N 1.46 4.81 -0.50 0.64 1.01 -1.26 0.14 121.20 127.49 1k3j s ILE 147 Ca 0.02 1.63 -0.26 0.00 0.00 0.00 0.00 60.65 62.04 1k3j s ILE 147 Cb -0.17 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1k3j s ILE 147 CO 0.00 0.32 1.01 0.21 0.00 0.00 0.00 174.94 176.49 1k3j s ASN 148 N 0.23 6.48 0.59 3.58 2.47 -1.24 -4.89 114.94 122.15 1k3j s ASN 148 Ca 0.40 0.08 0.28 0.00 0.42 0.00 0.00 52.86 54.04 1k3j s ASN 148 Cb -0.20 -2.48 1.75 0.00 -1.45 0.00 0.00 41.25 38.86 1k3j s ASN 148 CO 0.22 -1.20 2.21 0.44 -3.72 0.00 0.00 177.10 175.06 1k3j h ASP 149 N 9.24 0.00 -0.75 -4.21 5.19 -1.93 -1.84 116.42 122.12 1k3j h ASP 149 Ca -0.24 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.22 1k3j h ASP 149 Cb 1.07 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 1k3j h ASP 149 CO 1.09 0.00 0.45 0.50 -3.12 0.00 0.00 179.24 178.16 1k3j h LYS 150 N 0.00 0.82 -0.62 3.56 1.63 -1.91 -1.85 116.57 118.20 1k3j h LYS 150 Ca 0.02 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1k3j h LYS 150 Cb 0.12 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 1k3j h LYS 150 CO -0.00 0.54 0.40 0.35 -3.45 0.00 0.00 179.45 177.29 1k3j h PHE 151 N 0.85 0.75 -0.36 1.91 3.57 -1.52 -1.66 116.94 120.49 1k3j h PHE 151 Ca 0.32 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1k3j h PHE 151 Cb 0.13 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1k3j h PHE 151 CO -0.05 0.45 0.15 0.87 -2.23 0.00 0.00 178.31 177.50 1k3j h LYS 152 N 0.80 0.51 -0.17 1.11 1.57 -1.43 0.89 116.57 119.85 1k3j h LYS 152 Ca 0.24 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1k3j h LYS 152 Cb -0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1k3j h LYS 152 CO -0.08 0.42 -0.09 1.96 -0.57 0.00 0.00 179.45 181.10 1k3j h GLN 153 N 0.51 0.35 -0.44 3.15 1.08 -0.56 0.10 115.11 119.30 1k3j h GLN 153 Ca 0.13 -0.16 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 1k3j h GLN 153 Cb 0.10 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1k3j h GLN 153 CO -0.01 0.67 -0.18 0.00 -0.95 0.00 0.00 178.83 178.36 1k3j h LEU 155 N 0.74 0.93 -0.23 0.00 -0.00 -0.83 0.95 115.31 116.86 1k3j h LEU 155 Ca 0.10 -0.39 0.01 0.00 -0.00 0.00 0.00 57.88 57.61 1k3j h LEU 155 Cb 0.74 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1k3j h LEU 155 CO 0.06 1.11 0.12 -0.08 -0.00 0.00 0.00 178.44 179.65 1k3j h GLU 156 N 0.74 0.25 0.07 1.13 4.81 -0.73 -2.91 114.58 117.95 1k3j h GLU 156 Ca 0.11 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.07 1k3j h GLU 156 Cb 0.74 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1k3j h GLU 156 CO 0.06 0.17 -1.17 -0.56 -0.73 0.00 0.00 179.01 176.78 1k3j h GLN 157 N 0.26 0.14 -6.16 1.92 -0.00 -1.41 -3.50 115.11 106.37 1k3j h GLN 157 Ca 0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1k3j h GLN 157 Cb 0.01 0.09 -0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1k3j h GLN 157 CO -0.06 1.09 -0.79 0.27 -0.00 0.00 0.00 178.83 179.35 1k3j n ASN 158 N -3.43 -6.74 -4.72 0.06 0.23 0.33 -4.92 115.26 96.06 1k3j n ASN 158 Ca -0.05 0.66 -0.37 0.00 -0.53 0.00 0.00 54.58 54.29 1k3j n ASN 158 Cb 0.99 -2.05 -0.06 0.00 -2.08 0.00 0.00 39.78 36.58 1k3j n ASN 158 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1k3j s LYS 159 N -0.81 4.30 -0.27 -3.83 0.00 -1.26 -5.05 119.74 112.82 1k3j s LYS 159 Ca -0.01 0.28 -0.27 0.00 0.00 0.00 0.00 55.97 55.97 1k3j s LYS 159 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 37.83 34.41 1k3j s LYS 159 CO 0.10 0.20 0.95 0.14 0.00 0.00 0.00 175.35 176.74 1k3j s VAL 160 N 0.54 4.69 -0.13 1.79 -7.23 -1.26 -4.88 120.40 113.92 1k3j s VAL 160 Ca 0.21 1.68 0.10 0.00 -1.81 0.00 0.00 61.98 62.16 1k3j s VAL 160 Cb -0.14 -4.27 -0.15 0.00 0.56 0.00 0.00 36.38 32.39 1k3j s VAL 160 CO 0.07 -0.26 0.02 -0.67 -0.31 0.00 0.00 175.10 173.96 1k3j n ASP 161 N 6.39 2.05 -2.06 4.85 2.03 -1.26 -5.11 116.55 123.43 1k3j n ASP 161 Ca 0.09 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1k3j n ASP 161 Cb 0.47 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 1k3j n ASP 161 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1k3j n ARG 162 N -2.51 -5.05 -2.75 -0.67 0.63 -1.26 -4.93 116.66 100.12 1k3j n ARG 162 Ca -0.21 3.65 -0.40 0.00 -0.92 0.00 0.00 57.85 59.96 1k3j n ARG 162 Cb 0.89 -4.13 -0.06 0.00 0.45 0.00 0.00 32.46 29.62 1k3j n ARG 162 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1k3j s ILE 163 N -0.51 4.20 -2.00 5.15 -4.36 -1.26 -5.27 121.20 117.15 1k3j s ILE 163 Ca 0.00 2.08 0.22 0.00 -0.26 0.00 0.00 60.65 62.68 1k3j s ILE 163 Cb 0.00 -4.32 0.61 0.00 1.25 0.00 0.00 42.46 40.00 1k3j s ILE 163 CO 0.00 0.45 1.67 -1.14 0.24 0.00 0.00 174.94 176.16