#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 0.00 0.11 0.00 -2.24 -1.26 -4.84 114.28 106.05 1k3j n THR 15 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1k3j n THR 15 Cb 0.00 -0.49 0.15 0.00 -2.10 0.00 0.00 70.33 67.89 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 0.00 0.12 -0.54 -0.78 4.20 -2.07 -3.07 115.11 112.97 1k3j h GLN 16 Ca 0.00 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1k3j h GLN 16 Cb 0.00 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1k3j h GLN 16 CO 0.00 0.69 0.21 0.00 -0.67 0.00 0.00 178.83 179.06 1k3j h ARG 17 N 0.09 0.78 -0.96 1.46 -0.00 -2.01 -2.40 114.38 111.34 1k3j h ARG 17 Ca -0.01 -0.12 0.04 0.00 -0.50 0.00 0.00 59.98 59.40 1k3j h ARG 17 Cb 1.09 -0.14 -0.06 0.00 0.00 0.00 0.00 29.97 30.87 1k3j h ARG 17 CO 0.09 0.65 0.63 0.74 0.00 0.00 0.00 179.97 182.07 1k3j h PHE 18 N 0.77 1.17 -0.20 3.04 0.04 -1.86 -0.92 116.94 118.98 1k3j h PHE 18 Ca 0.18 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.99 1k3j h PHE 18 Cb 0.16 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1k3j h PHE 18 CO 0.01 0.66 0.13 1.25 -0.60 0.00 0.00 178.31 179.76 1k3j h LEU 19 N 1.19 0.21 -0.45 1.54 5.85 -1.52 -1.56 115.31 120.56 1k3j h LEU 19 Ca 0.39 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.93 1k3j h LEU 19 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1k3j h LEU 19 CO -0.13 0.15 -0.66 0.40 -0.34 0.00 0.00 178.44 177.86 1k3j h ILE 20 N 0.25 1.36 -0.77 4.05 2.04 -1.18 -3.10 117.51 120.15 1k3j h ILE 20 Ca 0.08 -2.01 0.05 0.00 1.00 0.00 0.00 64.86 63.98 1k3j h ILE 20 Cb 0.01 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1k3j h ILE 20 CO -0.02 0.61 0.47 -0.33 0.00 0.00 0.00 178.15 178.88 1k3j h GLU 21 N 0.32 0.85 0.00 2.37 5.08 -0.94 0.42 114.58 122.68 1k3j h GLU 21 Ca -0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1k3j h GLU 21 Cb 1.23 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1k3j h GLU 21 CO 0.12 0.56 -0.14 0.87 -1.00 0.00 0.00 179.01 179.42 1k3j h LYS 22 N 0.87 0.00 -0.38 2.33 6.56 -1.50 -3.00 116.57 121.46 1k3j h LYS 22 Ca 0.33 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.97 1k3j h LYS 22 Cb 0.14 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 1k3j h LYS 22 CO -0.16 0.14 0.13 0.35 -2.06 0.00 0.00 179.45 177.85 1k3j h PHE 23 N 0.00 0.23 -0.46 -1.35 3.04 -0.83 0.21 116.94 117.77 1k3j h PHE 23 Ca -0.00 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 1k3j h PHE 23 Cb 0.46 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1k3j h PHE 23 CO 0.00 0.09 -0.20 0.77 -2.02 0.00 0.00 178.31 176.95 1k3j h SER 24 N 0.28 0.93 -0.60 0.41 0.02 -1.52 -3.43 113.55 109.65 1k3j h SER 24 Ca 0.17 -0.34 0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1k3j h SER 24 Cb 0.16 -0.26 -0.20 0.00 0.14 0.00 0.00 62.40 62.24 1k3j h SER 24 CO -0.18 1.10 -0.19 -1.58 -1.14 0.00 0.00 176.83 174.84 1k3j s GLN 25 N -4.68 0.34 0.01 3.45 0.74 -0.90 -5.14 119.66 113.49 1k3j s GLN 25 Ca -0.11 0.31 -0.30 0.00 0.05 0.00 0.00 55.36 55.31 1k3j s GLN 25 Cb 0.13 0.15 -0.05 0.00 1.10 0.00 0.00 33.01 34.33 1k3j s GLN 25 CO 0.86 -0.64 1.26 -1.83 -0.55 0.00 0.00 175.29 174.39 1k3j s GLU 26 N 2.85 4.36 -0.37 1.67 1.03 0.01 -4.55 118.70 123.71 1k3j s GLU 26 Ca 0.19 1.80 -0.27 0.00 0.03 0.00 0.00 54.97 56.72 1k3j s GLU 26 Cb -0.05 -3.46 0.02 0.00 -0.80 0.00 0.00 34.13 29.83 1k3j s GLU 26 CO -0.24 -0.40 1.01 1.14 -1.33 0.00 0.00 175.26 175.44 1k3j s GLN 27 N 1.75 3.90 0.16 -4.83 -2.07 -1.26 -5.02 119.66 112.30 1k3j s GLN 27 Ca 0.59 0.75 -0.27 0.00 -1.82 0.00 0.00 55.36 54.61 1k3j s GLN 27 Cb -0.29 -3.80 -0.08 0.00 -1.09 0.00 0.00 33.01 27.76 1k3j s GLN 27 CO 0.26 -1.00 0.85 0.42 -1.32 0.00 0.00 175.29 174.51 1k3j s ILE 28 N 3.69 4.35 -0.32 3.63 -1.09 -1.26 -4.98 121.20 125.22 1k3j s ILE 28 Ca 0.42 1.87 0.18 0.00 -2.23 0.00 0.00 60.65 60.89 1k3j s ILE 28 Cb -0.11 -4.22 0.46 0.00 -1.58 0.00 0.00 42.46 37.01 1k3j s ILE 28 CO 0.19 0.46 0.96 0.61 -1.23 0.00 0.00 174.94 175.94 1k3j n GLY 29 N 1.78 1.53 0.33 6.18 0.00 -1.26 -4.82 105.19 108.92 1k3j n GLY 29 Ca -0.03 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 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 2.98 1.15 0.00 1.61 4.81 -2.02 -3.40 114.58 119.70 1k3j h GLU 30 Ca -0.10 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1k3j h GLU 30 Cb 1.19 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1k3j h GLU 30 CO 0.48 0.96 -0.03 0.09 -0.73 0.00 0.00 179.01 179.78 1k3j n ASN 31 N -4.28 -0.13 -4.74 1.04 4.13 -1.26 -5.08 115.26 104.93 1k3j n ASN 31 Ca 0.06 -0.85 -0.41 0.00 1.68 0.00 0.00 54.58 55.07 1k3j n ASN 31 Cb 0.21 0.06 -0.04 0.00 -1.54 0.00 0.00 39.78 38.46 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1k3j s ILE 32 N 0.01 4.02 -0.15 2.41 -1.09 -1.26 -1.14 121.20 124.00 1k3j s ILE 32 Ca 0.01 1.75 -0.11 0.00 -2.23 0.00 0.00 60.65 60.07 1k3j s ILE 32 Cb 0.03 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1k3j s ILE 32 CO -0.01 0.30 -0.14 0.52 -1.23 0.00 0.00 174.94 174.38 1k3j n VAL 33 N 2.40 1.43 -3.77 2.92 0.31 0.20 -4.54 118.33 117.29 1k3j n VAL 33 Ca 0.02 0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.45 1k3j n VAL 33 Cb 0.47 -2.36 -0.06 0.00 -0.91 0.00 0.00 33.84 30.98 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 -3.85 2.18 -0.23 0.00 3.52 0.31 -0.09 118.95 120.80 1k3j s ARG 35 Ca 0.06 -0.89 -0.06 0.00 -0.13 0.00 0.00 55.73 54.71 1k3j s ARG 35 Cb 0.03 -2.01 -0.03 0.00 -1.56 0.00 0.00 34.95 31.38 1k3j s ARG 35 CO -0.09 0.48 0.04 0.14 -0.81 0.00 0.00 175.30 175.06 1k3j s VAL 36 N -0.42 4.21 -0.08 7.11 -7.23 -0.89 0.17 120.40 123.27 1k3j s VAL 36 Ca 0.05 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1k3j s VAL 36 Cb -0.11 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1k3j s VAL 36 CO 0.01 0.38 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.44 1k3j s ILE 37 N 1.29 1.14 -0.70 -0.62 1.01 0.26 -1.84 121.20 121.73 1k3j s ILE 37 Ca 0.04 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 1k3j s ILE 37 Cb -0.15 -1.07 0.04 0.00 0.01 0.00 0.00 42.46 41.30 1k3j s ILE 37 CO 0.03 0.37 1.16 0.00 0.00 0.00 0.00 174.94 176.49 1k3j h THR 39 N 6.02 1.10 -0.00 0.00 1.03 -1.92 -2.56 112.91 116.57 1k3j h THR 39 Ca -0.28 -1.42 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 1k3j h THR 39 Cb 1.06 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.94 1k3j h THR 39 CO 1.24 0.38 -0.00 0.35 -0.01 0.00 0.00 175.52 177.48 1k3j n THR 40 N -3.82 0.00 -2.50 0.00 -2.24 -1.25 -4.96 114.28 99.51 1k3j n THR 40 Ca -0.01 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1k3j n THR 40 Cb 0.46 -0.49 0.01 0.00 -2.10 0.00 0.00 70.33 68.20 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 1.14 -1.15 0.00 3.38 0.00 -0.97 -5.01 105.19 102.58 1k3j n GLY 41 Ca 0.19 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 -0.37 0.00 -4.85 1.61 6.02 -1.26 -5.12 117.38 113.41 1k3j n GLN 42 Ca 0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.81 1k3j n GLN 42 Cb 0.34 -0.32 -0.15 0.00 1.02 0.00 0.00 30.24 31.14 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 1.71 0.46 5.09 1.01 -1.26 -4.65 121.20 122.56 1k3j s ILE 43 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.34 1k3j s ILE 43 Cb 0.00 -1.45 -0.07 0.00 0.01 0.00 0.00 42.46 40.95 1k3j s ILE 43 CO 0.00 0.34 1.19 -2.16 0.00 0.00 0.00 174.94 174.31 1k3j s PRO 44 N -0.87 3.73 0.58 2.79 0.04 -1.26 -4.12 135.00 135.89 1k3j s PRO 44 Ca 0.08 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 1k3j s PRO 44 Cb -0.09 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1k3j s PRO 44 CO 0.01 -0.59 1.18 -0.89 0.04 0.00 0.00 177.00 176.74 1k3j n ILE 45 N -0.47 3.94 -4.14 0.56 5.41 -1.26 -4.84 119.36 118.57 1k3j n ILE 45 Ca 0.07 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.23 1k3j n ILE 45 Cb 0.47 -1.40 -0.10 0.00 -0.71 0.00 0.00 39.64 37.90 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 -2.88 0.85 -0.15 0.38 3.52 -0.77 -5.04 118.95 114.87 1k3j s ARG 46 Ca 0.75 -1.39 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1k3j s ARG 46 Cb -0.42 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.22 1k3j s ARG 46 CO 0.47 -0.22 -0.14 0.16 -0.81 0.00 0.00 175.30 174.76 1k3j s ASP 47 N -3.02 2.70 -0.17 -2.12 1.47 -1.26 -2.09 116.67 112.19 1k3j s ASP 47 Ca 0.20 -0.50 -0.19 0.00 1.18 0.00 0.00 52.55 53.24 1k3j s ASP 47 Cb 0.08 -1.18 -0.03 0.00 -0.34 0.00 0.00 42.92 41.45 1k3j s ASP 47 CO -0.01 -0.06 0.55 -0.76 0.68 0.00 0.00 175.17 175.56 1k3j s LEU 48 N 1.49 4.19 0.08 2.11 1.02 0.87 -5.00 118.68 123.45 1k3j s LEU 48 Ca 0.05 0.78 0.02 0.00 0.02 0.00 0.00 54.13 55.00 1k3j s LEU 48 Cb -0.13 -2.77 -0.04 0.00 0.02 0.00 0.00 46.19 43.27 1k3j s LEU 48 CO -0.11 -0.15 -0.07 -0.94 0.02 0.00 0.00 176.35 175.10 1k3j s SER 49 N 1.00 1.09 -0.10 2.29 1.04 -1.26 0.62 113.70 118.38 1k3j s SER 49 Ca 0.27 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.72 1k3j s SER 49 Cb -0.16 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1k3j s SER 49 CO 0.11 -0.38 0.32 0.00 0.98 0.00 0.00 173.24 174.27 1k3j s ALA 50 N -2.90 -0.79 -0.07 5.32 0.00 -0.29 -4.79 121.76 118.25 1k3j s ALA 50 Ca 0.05 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 1k3j s ALA 50 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1k3j s ALA 50 CO -0.03 -0.17 1.14 -0.51 0.00 0.00 0.00 175.76 176.19 1k3j s ASP 51 N -0.10 7.11 0.15 0.00 1.11 -1.26 -4.68 116.67 119.01 1k3j s ASP 51 Ca -0.02 1.73 -0.13 0.00 0.18 0.00 0.00 52.55 54.31 1k3j s ASP 51 Cb -0.03 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.44 1k3j s ASP 51 CO 0.01 -0.54 1.66 0.40 1.18 0.00 0.00 175.17 177.88 1k3j h ILE 52 N 5.04 1.24 -0.81 0.77 2.04 -1.98 -2.62 117.51 121.19 1k3j h ILE 52 Ca -0.33 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 64.73 1k3j h ILE 52 Cb 1.16 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 1k3j h ILE 52 CO 0.87 0.31 0.49 0.28 0.00 0.00 0.00 178.15 180.11 1k3j h SER 53 N 0.72 0.77 -0.19 1.72 0.02 -1.99 -0.02 113.55 114.58 1k3j h SER 53 Ca 0.16 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 1k3j h SER 53 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1k3j h SER 53 CO 0.00 0.49 -0.32 1.56 -1.14 0.00 0.00 176.83 177.42 1k3j h GLN 54 N 0.90 0.70 -0.34 3.45 4.20 -1.96 -1.18 115.11 120.89 1k3j h GLN 54 Ca 0.36 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1k3j h GLN 54 Cb 0.17 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1k3j h GLN 54 CO -0.17 0.92 0.02 0.28 -0.67 0.00 0.00 178.83 179.21 1k3j h VAL 55 N 0.59 1.25 -0.02 -0.54 2.07 -0.93 0.02 116.25 118.70 1k3j h VAL 55 Ca 0.07 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 1k3j h VAL 55 Cb 0.83 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1k3j h VAL 55 CO 0.07 0.30 -0.55 0.25 0.02 0.00 0.00 177.57 177.67 1k3j h LEU 56 N 0.39 0.05 -0.05 2.57 7.12 -0.99 -3.21 115.31 121.19 1k3j h LEU 56 Ca 0.10 -0.02 -0.07 0.00 0.13 0.00 0.00 57.88 58.01 1k3j h LEU 56 Cb 0.42 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1k3j h LEU 56 CO 0.01 0.59 -0.26 0.11 -0.13 0.00 0.00 178.44 178.77 1k3j h LYS 57 N 0.03 0.26 -6.55 1.25 1.57 -1.04 -3.44 116.57 108.66 1k3j h LYS 57 Ca -0.00 -0.22 -0.53 0.00 -1.87 0.00 0.00 60.65 58.03 1k3j h LYS 57 Cb 0.98 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.35 1k3j h LYS 57 CO 0.07 0.86 0.60 -1.21 -0.57 0.00 0.00 179.45 179.20 1k3j s GLU 58 N -3.61 4.42 -0.26 3.15 0.41 -0.02 -4.92 118.70 117.88 1k3j s GLU 58 Ca -0.15 1.87 0.10 0.00 -0.41 0.00 0.00 54.97 56.38 1k3j s GLU 58 Cb 0.03 -3.29 0.68 0.00 -1.78 0.00 0.00 34.13 29.76 1k3j s GLU 58 CO 0.75 -0.25 1.65 0.36 -0.49 0.00 0.00 175.26 177.29 1k3j n LYS 59 N 3.50 3.75 -2.53 1.61 -0.00 -1.26 -4.86 118.16 118.37 1k3j n LYS 59 Ca 0.08 -2.71 -0.22 0.00 -0.00 0.00 0.00 58.31 55.46 1k3j n LYS 59 Cb 0.45 -2.13 0.05 0.00 -0.00 0.00 0.00 35.03 33.40 1k3j n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1k3j s ARG 60 N -2.63 2.35 -0.08 -1.58 1.81 -1.26 -5.04 118.95 112.51 1k3j s ARG 60 Ca 0.48 -0.70 -0.21 0.00 -1.72 0.00 0.00 55.73 53.58 1k3j s ARG 60 Cb 0.38 -2.39 -0.17 0.00 -0.45 0.00 0.00 34.95 32.31 1k3j s ARG 60 CO 0.13 -0.93 0.76 1.03 -0.68 0.00 0.00 175.30 175.61 1k3j h SER 61 N -0.16 -0.08 -3.22 0.23 0.87 -1.99 -3.44 113.55 105.76 1k3j h SER 61 Ca -0.42 -0.52 -0.57 0.00 -1.23 0.00 0.00 61.79 59.05 1k3j h SER 61 Cb 1.30 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 1k3j h SER 61 CO 0.52 0.60 -0.27 -0.63 -0.53 0.00 0.00 176.83 176.52 1k3j s ILE 62 N -2.88 5.12 0.04 2.23 -1.09 -1.26 -3.78 121.20 119.58 1k3j s ILE 62 Ca -0.13 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1k3j s ILE 62 Cb -0.01 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1k3j s ILE 62 CO 0.50 0.02 0.00 0.29 -1.23 0.00 0.00 174.94 174.52 1k3j n LYS 63 N 0.07 0.00 -3.70 2.79 4.01 -0.33 -4.97 118.16 116.03 1k3j n LYS 63 Ca -0.02 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.68 1k3j n LYS 63 Cb 0.52 -0.48 -0.11 0.00 -0.51 0.00 0.00 35.03 34.45 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1k3j s LYS 64 N -2.00 0.39 -0.03 1.97 2.20 -1.17 -5.01 119.74 116.10 1k3j s LYS 64 Ca 0.00 0.78 0.06 0.00 -0.36 0.00 0.00 55.97 56.45 1k3j s LYS 64 Cb 0.00 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 1k3j s LYS 64 CO 0.00 -0.16 -0.20 0.08 -0.36 0.00 0.00 175.35 174.71 1k3j s VAL 65 N 1.40 1.63 -0.12 4.02 1.01 -1.26 -1.04 120.40 126.05 1k3j s VAL 65 Ca -0.10 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1k3j s VAL 65 Cb -0.08 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1k3j s VAL 65 CO -0.13 0.46 0.12 0.26 0.00 0.00 0.00 175.10 175.82 1k3j s TRP 66 N -0.34 3.54 -0.15 5.22 0.51 0.51 -4.87 118.94 123.34 1k3j s TRP 66 Ca 0.04 0.48 -0.02 0.00 -2.12 0.00 0.00 56.10 54.49 1k3j s TRP 66 Cb -0.09 -1.92 -0.01 0.00 -0.81 0.00 0.00 33.47 30.63 1k3j s TRP 66 CO 0.00 0.70 -0.10 0.99 -0.51 0.00 0.00 176.95 178.03 1k3j s THR 67 N -0.99 3.25 0.04 2.01 2.01 -1.26 0.12 115.64 120.82 1k3j s THR 67 Ca 0.15 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1k3j s THR 67 Cb -0.12 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1k3j s THR 67 CO 0.04 0.50 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.97 1k3j s PHE 68 N 0.60 2.68 -4.33 4.92 0.40 0.38 0.62 117.98 123.25 1k3j s PHE 68 Ca -0.06 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1k3j s PHE 68 Cb -0.15 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 41.88 1k3j s PHE 68 CO 0.03 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.67 1k3j n GLY 69 N 1.42 -1.91 0.00 4.36 0.00 -0.90 0.19 105.19 108.34 1k3j n GLY 69 Ca -0.15 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 44.80 1k3j n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j n ARG 70 N -0.35 0.98 -2.98 1.61 1.74 0.07 -2.44 116.66 115.30 1k3j n ARG 70 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1k3j n ARG 70 Cb 0.00 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.90 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k3j s ASN 71 N -1.98 7.20 0.00 0.55 3.04 -0.34 -4.85 114.94 118.56 1k3j s ASN 71 Ca 0.46 1.43 0.13 0.00 0.04 0.00 0.00 52.86 54.92 1k3j s ASN 71 Cb 0.21 -2.47 0.57 0.00 -1.54 0.00 0.00 41.25 38.02 1k3j s ASN 71 CO 0.36 -0.01 1.37 -2.65 -3.04 0.00 0.00 177.10 173.13 1k3j n PRO 72 N 2.95 0.06 0.05 0.43 -0.02 -1.26 -2.10 135.00 135.10 1k3j n PRO 72 Ca -0.02 0.25 -0.22 0.00 -2.02 0.00 0.00 63.50 61.49 1k3j n PRO 72 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.48 0.03 -1.26 3.55 0.00 -1.94 -3.47 119.26 118.66 1k3j h ALA 73 Ca 0.00 -0.92 -0.68 0.00 0.00 0.00 0.00 54.91 53.30 1k3j h ALA 73 Cb 0.18 0.30 0.09 0.00 0.00 0.00 0.00 17.79 18.37 1k3j h ALA 73 CO 0.00 0.67 -0.18 0.00 0.00 0.00 0.00 179.25 179.73 1k3j h ASP 75 N 1.95 0.00 -3.26 0.00 1.82 -0.14 -3.37 116.42 113.42 1k3j h ASP 75 Ca -0.37 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 55.76 1k3j h ASP 75 Cb 1.41 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 41.06 1k3j h ASP 75 CO 0.61 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.97 1k3j s TYR 76 N -3.96 1.41 -0.24 0.28 5.04 0.19 -4.91 117.35 115.17 1k3j s TYR 76 Ca -0.04 -0.64 -0.10 0.00 -2.44 0.00 0.00 57.07 53.85 1k3j s TYR 76 Cb 0.09 -1.15 -0.05 0.00 0.35 0.00 0.00 41.96 41.21 1k3j s TYR 76 CO 0.29 -0.43 0.15 -1.58 -1.34 0.00 0.00 175.55 172.64 1k3j s HIS 77 N 1.41 3.29 0.40 4.97 2.46 -1.26 -2.11 115.29 124.45 1k3j s HIS 77 Ca -0.01 0.16 0.02 0.00 0.47 0.00 0.00 55.06 55.71 1k3j s HIS 77 Cb -0.13 -2.26 -0.01 0.00 -0.13 0.00 0.00 32.58 30.05 1k3j s HIS 77 CO -0.05 0.03 0.07 1.47 -2.47 0.00 0.00 174.74 173.79 1k3j n LEU 78 N 4.31 0.00 -4.74 8.88 -0.00 -1.02 -4.82 117.00 119.61 1k3j n LEU 78 Ca -0.15 -2.77 -0.37 0.00 -0.00 0.00 0.00 56.01 52.72 1k3j n LEU 78 Cb 0.52 0.63 0.05 0.00 -0.00 0.00 0.00 43.42 44.63 1k3j n LEU 78 CO 0.35 -0.41 0.90 -0.83 -0.00 0.00 0.00 177.39 177.40 1k3j s GLY 79 N -3.32 2.84 -0.91 1.47 0.00 -1.26 -4.61 107.32 101.54 1k3j s GLY 79 Ca 0.10 1.19 -0.25 0.00 0.00 0.00 0.00 44.72 45.76 1k3j s GLY 79 CO 0.07 1.62 1.46 0.54 0.00 0.00 0.00 173.10 176.79 1k3j s ASN 80 N -1.36 6.22 -0.20 1.64 4.22 -1.26 -4.63 114.94 119.56 1k3j s ASN 80 Ca 0.79 -0.99 -0.03 0.00 -2.14 0.00 0.00 52.86 50.49 1k3j s ASN 80 Cb -0.36 -2.56 -0.01 0.00 1.28 0.00 0.00 41.25 39.59 1k3j s ASN 80 CO 0.39 -1.76 -0.06 -0.63 -2.04 0.00 0.00 177.10 173.01 1k3j s ILE 81 N 5.85 3.35 0.51 0.54 -1.09 -1.26 -4.98 121.20 124.12 1k3j s ILE 81 Ca 0.46 -0.51 0.23 0.00 -2.23 0.00 0.00 60.65 58.60 1k3j s ILE 81 Cb -0.04 -2.51 0.38 0.00 -1.58 0.00 0.00 42.46 38.72 1k3j s ILE 81 CO -0.00 0.44 1.99 -1.28 -1.23 0.00 0.00 174.94 174.86 1k3j h SER 82 N 7.81 0.08 0.58 3.58 0.87 -1.99 0.26 113.55 124.75 1k3j h SER 82 Ca -0.39 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.12 1k3j h SER 82 Cb 1.17 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1k3j h SER 82 CO 0.60 0.04 -0.29 -0.09 -0.53 0.00 0.00 176.83 176.57 1k3j h ARG 83 N 0.09 0.00 -6.10 2.24 9.65 -1.94 -3.43 114.38 114.88 1k3j h ARG 83 Ca 0.26 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.57 1k3j h ARG 83 Cb 0.92 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.47 1k3j h ARG 83 CO -0.02 0.29 -0.39 -0.51 2.80 0.00 0.00 179.97 182.14 1k3j s LEU 84 N -7.41 4.29 0.43 3.80 1.43 0.92 -4.49 118.68 117.65 1k3j s LEU 84 Ca -0.01 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1k3j s LEU 84 Cb 0.12 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1k3j s LEU 84 CO 0.66 0.05 0.61 -0.94 0.23 0.00 0.00 176.35 176.96 1k3j s SER 85 N -2.81 5.77 0.22 2.29 1.04 -1.26 -4.74 113.70 114.21 1k3j s SER 85 Ca 0.38 0.00 -0.16 0.00 0.48 0.00 0.00 55.95 56.65 1k3j s SER 85 Cb -0.12 -1.23 0.24 0.00 0.10 0.00 0.00 66.02 65.02 1k3j s SER 85 CO 0.28 -0.69 1.57 0.78 0.98 0.00 0.00 173.24 176.16 1k3j h ASN 86 N 0.53 -1.15 -3.71 7.02 2.35 -1.93 -2.68 115.58 116.01 1k3j h ASN 86 Ca -0.45 0.27 -0.63 0.00 -0.55 0.00 0.00 56.30 54.94 1k3j h ASN 86 Cb 1.26 0.63 -0.41 0.00 0.05 0.00 0.00 38.32 39.85 1k3j h ASN 86 CO 0.54 -0.29 -0.58 -0.54 -1.65 0.00 0.00 177.43 174.91 1k3j s LYS 87 N -6.06 2.28 0.14 0.81 1.02 -1.26 -0.75 119.74 115.92 1k3j s LYS 87 Ca -0.14 -3.01 -0.17 0.00 0.02 0.00 0.00 55.97 52.67 1k3j s LYS 87 Cb 0.20 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1k3j s LYS 87 CO 0.72 -1.20 1.73 1.25 -0.92 0.00 0.00 175.35 176.93 1k3j h HIS 88 N 5.94 0.52 -3.96 3.18 2.76 0.25 -3.35 115.15 120.49 1k3j h HIS 88 Ca 0.04 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 1k3j h HIS 88 Cb 0.82 -0.16 -0.13 0.00 1.55 0.00 0.00 27.41 29.48 1k3j h HIS 88 CO 0.61 0.42 -0.41 -0.59 -1.30 0.00 0.00 177.93 176.67 1k3j s PHE 89 N -5.81 0.39 -0.02 5.26 -0.71 -0.63 0.15 117.98 116.62 1k3j s PHE 89 Ca -0.13 -0.79 0.01 0.00 -1.04 0.00 0.00 56.93 54.98 1k3j s PHE 89 Cb 0.10 -0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1k3j s PHE 89 CO 0.73 -0.61 -0.05 -0.65 -1.34 0.00 0.00 175.22 173.30 1k3j s GLN 90 N -3.94 0.52 -0.15 1.99 -0.21 0.52 0.14 119.66 118.54 1k3j s GLN 90 Ca 0.14 -0.15 -0.01 0.00 0.02 0.00 0.00 55.36 55.35 1k3j s GLN 90 Cb 0.05 -0.53 -0.01 0.00 1.00 0.00 0.00 33.01 33.51 1k3j s GLN 90 CO -0.04 0.05 -0.11 0.42 -2.12 0.00 0.00 175.29 173.49 1k3j s ILE 91 N 0.21 3.16 0.08 1.08 1.01 0.33 0.18 121.20 127.26 1k3j s ILE 91 Ca -0.02 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.09 1k3j s ILE 91 Cb -0.06 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1k3j s ILE 91 CO -0.00 0.51 -0.14 -1.48 0.00 0.00 0.00 174.94 173.83 1k3j s LEU 92 N 0.51 2.86 -0.12 2.97 2.34 0.21 0.19 118.68 127.64 1k3j s LEU 92 Ca -0.08 -0.42 0.01 0.00 0.06 0.00 0.00 54.13 53.70 1k3j s LEU 92 Cb -0.15 -1.68 0.02 0.00 -0.56 0.00 0.00 46.19 43.81 1k3j s LEU 92 CO 0.04 0.21 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.17 1k3j s LEU 93 N -1.95 1.68 0.00 1.48 2.96 -0.21 -0.44 118.68 122.20 1k3j s LEU 93 Ca 0.19 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1k3j s LEU 93 Cb -0.11 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.47 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 4.46 4.37 3.54 7.98 0.00 -1.25 -1.18 105.19 123.11 1k3j n GLY 94 Ca -0.18 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1k3j n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k3j s GLU 95 N 2.34 -0.48 2.11 1.61 2.02 -1.25 -4.76 118.70 120.29 1k3j s GLU 95 Ca 0.00 0.83 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1k3j s GLU 95 Cb 0.00 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.62 1k3j s GLU 95 CO 0.00 -3.43 0.00 -0.25 0.02 0.00 0.00 175.26 171.60 1k3j n ASP 96 N -4.71 -5.32 -2.00 -0.19 9.92 -1.26 -3.77 116.55 109.23 1k3j n ASP 96 Ca 0.04 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.14 1k3j n ASP 96 Cb 0.55 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 41.22 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 0.00 3.91 3.63 0.44 0.00 -1.26 -4.91 105.19 107.00 1k3j n GLY 97 Ca 0.00 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1k3j n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k3j s ASN 98 N -0.92 5.62 0.17 1.61 0.01 -1.25 -4.85 114.94 115.33 1k3j s ASN 98 Ca 0.49 0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.77 1k3j s ASN 98 Cb 0.40 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 40.06 1k3j s ASN 98 CO 0.10 0.16 0.10 -0.22 -1.51 0.00 0.00 177.10 175.73 1k3j s LEU 99 N 0.43 3.66 0.05 0.60 2.96 -1.26 -3.77 118.68 121.35 1k3j s LEU 99 Ca 0.03 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1k3j s LEU 99 Cb -0.12 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1k3j s LEU 99 CO 0.00 0.07 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.14 1k3j s LEU 100 N -3.07 2.18 -0.18 -0.68 2.01 0.41 -1.54 118.68 117.81 1k3j s LEU 100 Ca 0.30 -0.54 -0.02 0.00 0.01 0.00 0.00 54.13 53.88 1k3j s LEU 100 Cb -0.10 -0.95 -0.01 0.00 0.01 0.00 0.00 46.19 45.14 1k3j s LEU 100 CO 0.22 0.14 -0.08 -0.76 1.01 0.00 0.00 176.35 176.88 1k3j s LEU 101 N -1.27 2.85 -0.23 1.79 1.43 -0.20 -0.62 118.68 122.43 1k3j s LEU 101 Ca 0.07 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1k3j s LEU 101 Cb -0.09 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.47 1k3j s LEU 101 CO 0.02 0.07 -0.10 0.21 0.23 0.00 0.00 176.35 176.77 1k3j s ASN 102 N 0.96 4.05 0.28 2.29 2.47 0.49 -2.10 114.94 123.38 1k3j s ASN 102 Ca -0.01 -0.89 -0.29 0.00 0.42 0.00 0.00 52.86 52.10 1k3j s ASN 102 Cb -0.15 -1.60 -0.09 0.00 -1.45 0.00 0.00 41.25 37.96 1k3j s ASN 102 CO -0.00 -0.10 1.00 1.51 -3.72 0.00 0.00 177.10 175.79 1k3j s ASP 103 N 1.29 7.40 -0.24 -4.21 1.47 -1.25 0.19 116.67 121.31 1k3j s ASP 103 Ca 0.00 2.04 0.18 0.00 1.18 0.00 0.00 52.55 55.96 1k3j s ASP 103 Cb -0.16 -2.61 0.43 0.00 -0.34 0.00 0.00 42.92 40.24 1k3j s ASP 103 CO -0.07 -0.03 1.26 2.30 0.68 0.00 0.00 175.17 179.31 1k3j n ILE 104 N 1.10 0.61 -3.82 2.11 -5.35 -0.58 0.21 119.36 113.64 1k3j n ILE 104 Ca -0.00 -1.85 -0.29 0.00 -0.27 0.00 0.00 62.75 60.33 1k3j n ILE 104 Cb 0.47 1.11 -0.04 0.00 -1.74 0.00 0.00 39.64 39.45 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 -2.49 6.39 0.31 7.28 0.01 0.39 -4.22 113.70 121.37 1k3j s SER 105 Ca 0.19 0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.88 1k3j s SER 105 Cb 0.35 -1.99 0.51 0.00 0.21 0.00 0.00 66.02 65.11 1k3j s SER 105 CO -0.08 0.06 1.72 0.74 0.41 0.00 0.00 173.24 176.10 1k3j h THR 106 N 1.83 1.31 0.00 1.44 2.02 -1.87 -3.17 112.91 114.47 1k3j h THR 106 Ca -0.47 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1k3j h THR 106 Cb 1.18 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1k3j h THR 106 CO 0.72 0.45 -1.80 0.59 0.37 0.00 0.00 175.52 175.84 1k3j n ASN 107 N -4.02 0.17 0.00 4.18 3.02 -1.26 -5.09 115.26 112.25 1k3j n ASN 107 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1k3j n ASN 107 Cb 0.47 1.70 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 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 1.25 3.27 3.36 7.41 0.00 -1.20 -4.88 105.19 114.40 1k3j n GLY 108 Ca -0.03 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.57 2.46 0.09 2.61 2.01 -1.26 -4.35 115.64 114.63 1k3j s THR 109 Ca 0.00 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.14 1k3j s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1k3j s THR 109 CO 0.00 0.58 -0.18 0.26 -0.69 0.00 0.00 174.62 174.59 1k3j s TRP 110 N -0.44 2.56 -0.21 4.92 0.51 0.34 -2.54 118.94 124.07 1k3j s TRP 110 Ca 0.05 -0.25 0.01 0.00 -2.12 0.00 0.00 56.10 53.79 1k3j s TRP 110 Cb -0.12 -1.39 0.05 0.00 -0.81 0.00 0.00 33.47 31.20 1k3j s TRP 110 CO 0.01 0.35 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.53 1k3j s LEU 111 N -1.93 2.44 -1.67 2.99 2.96 0.12 0.13 118.68 123.73 1k3j s LEU 111 Ca 0.17 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 52.97 1k3j s LEU 111 Cb -0.11 -1.26 0.12 0.00 0.50 0.00 0.00 46.19 45.44 1k3j s LEU 111 CO 0.09 -0.16 0.52 0.59 -1.32 0.00 0.00 176.35 176.06 1k3j n ASN 112 N 4.66 -1.55 0.00 3.68 3.02 -1.05 0.99 115.26 125.00 1k3j n ASN 112 Ca -0.14 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1k3j n ASN 112 Cb 0.46 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 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 -1.65 1.99 3.47 7.41 0.00 -1.26 -5.01 105.19 110.14 1k3j n GLY 113 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1k3j n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3j s GLN 114 N -0.38 3.61 -0.09 1.61 1.11 0.28 -5.06 119.66 120.74 1k3j s GLN 114 Ca 0.00 -0.52 -0.30 0.00 0.01 0.00 0.00 55.36 54.55 1k3j s GLN 114 Cb 0.00 -3.46 -0.03 0.00 -1.01 0.00 0.00 33.01 28.51 1k3j s GLN 114 CO 0.00 -0.26 1.34 0.21 0.01 0.00 0.00 175.29 176.59 1k3j s LYS 115 N 1.64 4.26 0.45 2.91 2.47 -1.26 0.16 119.74 130.37 1k3j s LYS 115 Ca 0.06 1.81 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 1k3j s LYS 115 Cb -0.16 -3.71 -0.00 0.00 -1.46 0.00 0.00 37.83 32.50 1k3j s LYS 115 CO 0.06 -0.64 0.68 0.14 0.16 0.00 0.00 175.35 175.74 1k3j s VAL 116 N 3.06 3.96 0.03 4.02 -7.23 -1.05 -4.94 120.40 118.25 1k3j s VAL 116 Ca 0.60 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.97 1k3j s VAL 116 Cb -0.26 -3.47 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 1k3j s VAL 116 CO 0.21 -0.33 1.42 -0.70 -0.31 0.00 0.00 175.10 175.39 1k3j s GLU 117 N -4.56 4.29 0.97 4.82 2.56 -1.26 -4.66 118.70 120.85 1k3j s GLU 117 Ca 0.49 2.02 -0.13 0.00 0.00 0.00 0.00 54.97 57.35 1k3j s GLU 117 Cb -0.10 -3.50 0.06 0.00 2.00 0.00 0.00 34.13 32.59 1k3j s GLU 117 CO 0.38 -0.55 0.47 1.17 -0.56 0.00 0.00 175.26 176.17 1k3j n LYS 118 N 5.04 -0.50 -2.73 4.30 4.81 -1.26 -2.33 118.16 125.50 1k3j n LYS 118 Ca 0.13 -0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 1k3j n LYS 118 Cb 0.43 -1.91 -0.02 0.00 0.02 0.00 0.00 35.03 33.54 1k3j n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1k3j n ASN 119 N -1.81 -1.00 -4.56 3.14 0.23 0.56 -4.85 115.26 106.97 1k3j n ASN 119 Ca 0.07 -0.17 -0.31 0.00 -0.53 0.00 0.00 54.58 53.63 1k3j n ASN 119 Cb 0.54 -0.93 -0.11 0.00 -2.08 0.00 0.00 39.78 37.20 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1k3j s SER 120 N -1.98 4.39 -0.06 0.53 0.15 -0.98 -4.90 113.70 110.84 1k3j s SER 120 Ca 0.26 -0.24 -0.23 0.00 0.70 0.00 0.00 55.95 56.43 1k3j s SER 120 Cb -0.15 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 1k3j s SER 120 CO 0.32 0.26 0.69 0.20 1.20 0.00 0.00 173.24 175.92 1k3j s ASN 121 N -1.51 6.99 0.05 5.45 -0.87 -1.26 -3.88 114.94 119.90 1k3j s ASN 121 Ca 0.17 1.19 0.05 0.00 -1.57 0.00 0.00 52.86 52.71 1k3j s ASN 121 Cb -0.11 -2.41 -0.02 0.00 -0.02 0.00 0.00 41.25 38.69 1k3j s ASN 121 CO 0.08 -0.10 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.26 1k3j s GLN 122 N 0.70 0.97 -0.03 -0.60 -1.52 -0.89 -4.92 119.66 113.37 1k3j s GLN 122 Ca 0.37 -0.83 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 1k3j s GLN 122 Cb -0.18 -1.01 -0.04 0.00 -0.22 0.00 0.00 33.01 31.56 1k3j s GLN 122 CO 0.18 0.25 1.32 -1.17 -0.25 0.00 0.00 175.29 175.61 1k3j s LEU 123 N -1.27 4.29 0.85 2.90 2.96 -1.26 -1.03 118.68 126.12 1k3j s LEU 123 Ca 0.02 1.97 -0.13 0.00 -0.22 0.00 0.00 54.13 55.77 1k3j s LEU 123 Cb -0.08 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.12 1k3j s LEU 123 CO 0.02 -0.67 0.94 -0.11 -1.32 0.00 0.00 176.35 175.20 1k3j n LEU 124 N 5.40 2.75 -4.33 -0.68 7.94 -0.59 -4.89 117.00 122.60 1k3j n LEU 124 Ca 0.12 0.50 -0.23 0.00 -1.11 0.00 0.00 56.01 55.29 1k3j n LEU 124 Cb 0.45 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 42.88 1k3j n LEU 124 CO 0.57 -2.39 -0.50 -0.44 -1.11 0.00 0.00 177.39 173.53 1k3j s SER 125 N -2.12 2.74 -0.13 1.96 0.01 -1.26 -4.97 113.70 109.92 1k3j s SER 125 Ca 0.68 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1k3j s SER 125 Cb -0.27 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 1k3j s SER 125 CO 0.57 0.01 1.48 -1.58 0.41 0.00 0.00 173.24 174.13 1k3j s GLN 126 N -2.55 4.13 -1.95 12.44 2.00 -1.26 -2.48 119.66 129.99 1k3j s GLN 126 Ca 0.14 1.87 0.00 0.00 -2.00 0.00 0.00 55.36 55.37 1k3j s GLN 126 Cb -0.07 -3.90 0.00 0.00 0.80 0.00 0.00 33.01 29.84 1k3j s GLN 126 CO 0.06 -0.87 0.00 0.41 -0.50 0.00 0.00 175.29 174.39 1k3j n GLY 127 N 4.01 0.87 3.38 2.59 0.00 -1.20 -4.95 105.19 109.89 1k3j n GLY 127 Ca 0.16 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.52 -2.11 -3.77 1.61 2.03 -1.03 -4.53 116.55 107.22 1k3j n ASP 128 Ca -0.22 -0.17 -0.13 0.00 0.52 0.00 0.00 54.79 54.79 1k3j n ASP 128 Cb 0.67 -1.12 -0.13 0.00 -0.72 0.00 0.00 41.12 39.83 1k3j n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1k3j s GLU 129 N -3.97 0.20 -0.17 -0.67 2.12 -1.26 0.17 118.70 115.12 1k3j s GLU 129 Ca 0.63 0.36 -0.04 0.00 0.36 0.00 0.00 54.97 56.28 1k3j s GLU 129 Cb -0.20 -0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.16 1k3j s GLU 129 CO 0.66 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.68 1k3j s ILE 130 N 0.61 3.87 -0.10 -3.70 1.01 0.44 -2.53 121.20 120.79 1k3j s ILE 130 Ca -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1k3j s ILE 130 Cb -0.06 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1k3j s ILE 130 CO -0.03 0.47 0.05 -0.89 0.00 0.00 0.00 174.94 174.54 1k3j s THR 131 N 0.58 4.73 0.05 2.92 2.01 0.35 -0.27 115.64 126.01 1k3j s THR 131 Ca -0.02 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1k3j s THR 131 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1k3j s THR 131 CO 0.02 0.61 -0.02 0.68 -0.69 0.00 0.00 174.62 175.22 1k3j s VAL 132 N -0.88 0.20 0.00 3.82 -7.23 0.15 0.13 120.40 116.58 1k3j s VAL 132 Ca 0.13 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1k3j s VAL 132 Cb -0.12 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1k3j s VAL 132 CO 0.03 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 1k3j n GLY 133 N 0.32 0.74 3.76 2.32 0.00 -1.26 0.12 105.19 111.19 1k3j n GLY 133 Ca -0.16 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.30 3.35 0.00 1.61 1.01 -1.26 -3.10 120.40 119.70 1k3j s VAL 134 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1k3j s VAL 134 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1k3j s VAL 134 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1k3j n GLY 135 N 1.08 3.28 3.08 4.51 0.00 -1.26 -5.01 105.19 110.88 1k3j n GLY 135 Ca -0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 0.45 1.61 1.01 -1.26 -5.02 120.40 118.57 1k3j s VAL 136 Ca 0.00 -0.63 0.22 0.00 0.00 0.00 0.00 61.98 61.57 1k3j s VAL 136 Cb 0.00 -1.24 0.42 0.00 0.00 0.00 0.00 36.38 35.56 1k3j s VAL 136 CO 0.00 0.41 1.83 -0.08 0.00 0.00 0.00 175.10 177.26 1k3j h GLU 137 N 6.83 0.28 -0.32 2.72 4.81 -1.99 0.36 114.58 127.27 1k3j h GLU 137 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1k3j h GLU 137 Cb 1.20 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1k3j h GLU 137 CO 0.47 0.18 0.00 0.43 -0.73 0.00 0.00 179.01 179.37 1k3j n SER 138 N -4.47 2.42 -0.20 1.04 7.64 -1.26 -4.14 113.62 114.65 1k3j n SER 138 Ca 0.22 -1.87 0.09 0.00 1.01 0.00 0.00 58.87 58.31 1k3j n SER 138 Cb 0.86 -0.21 0.16 0.00 -1.01 0.00 0.00 64.21 64.01 1k3j n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k3j n ASP 139 N 0.81 2.19 -4.67 6.43 9.92 0.12 -5.01 116.55 126.34 1k3j n ASP 139 Ca 0.17 -3.28 -0.35 0.00 -0.53 0.00 0.00 54.79 50.80 1k3j n ASP 139 Cb 0.43 -0.45 -0.10 0.00 -0.64 0.00 0.00 41.12 40.36 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1k3j s ILE 140 N -2.95 4.27 -0.06 0.53 1.01 -1.18 -4.27 121.20 118.55 1k3j s ILE 140 Ca 0.33 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1k3j s ILE 140 Cb 0.30 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1k3j s ILE 140 CO 0.01 0.60 -0.22 -0.22 0.00 0.00 0.00 174.94 175.11 1k3j s LEU 141 N -0.81 2.01 -0.06 2.97 0.20 0.33 -4.94 118.68 118.37 1k3j s LEU 141 Ca 0.12 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.49 1k3j s LEU 141 Cb -0.11 -1.23 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 1k3j s LEU 141 CO 0.02 0.20 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.80 1k3j s SER 142 N -0.00 4.88 -0.02 3.68 0.01 -1.26 0.31 113.70 121.30 1k3j s SER 142 Ca -0.06 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1k3j s SER 142 Cb -0.14 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.82 1k3j s SER 142 CO 0.04 0.36 -0.06 -0.76 0.41 0.00 0.00 173.24 173.23 1k3j s LEU 143 N -0.94 1.75 -0.06 2.44 2.01 0.62 -3.84 118.68 120.67 1k3j s LEU 143 Ca 0.14 -0.13 0.01 0.00 0.01 0.00 0.00 54.13 54.16 1k3j s LEU 143 Cb -0.11 -0.39 -0.03 0.00 0.01 0.00 0.00 46.19 45.67 1k3j s LEU 143 CO 0.03 0.03 -0.07 -0.69 1.01 0.00 0.00 176.35 176.66 1k3j s VAL 144 N 0.25 3.66 -0.13 -1.59 1.01 0.26 0.17 120.40 124.03 1k3j s VAL 144 Ca -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1k3j s VAL 144 Cb -0.07 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1k3j s VAL 144 CO -0.00 0.59 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 1k3j s ILE 145 N -0.82 4.41 -0.23 2.22 1.01 0.13 0.90 121.20 128.82 1k3j s ILE 145 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1k3j s ILE 145 Cb -0.11 -2.91 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1k3j s ILE 145 CO 0.02 0.54 -0.10 0.12 0.00 0.00 0.00 174.94 175.52 1k3j s PHE 146 N -0.24 3.01 0.02 3.97 2.19 0.45 -3.24 117.98 124.14 1k3j s PHE 146 Ca 0.06 -1.60 -0.24 0.00 0.33 0.00 0.00 56.93 55.49 1k3j s PHE 146 Cb -0.12 -2.02 -0.05 0.00 -1.31 0.00 0.00 43.02 39.52 1k3j s PHE 146 CO 0.02 -0.75 0.73 0.42 1.83 0.00 0.00 175.22 177.47 1k3j s ILE 147 N 1.31 4.80 -0.36 3.12 1.09 -1.26 0.12 121.20 130.01 1k3j s ILE 147 Ca 0.01 1.55 -0.25 0.00 -1.10 0.00 0.00 60.65 60.86 1k3j s ILE 147 Cb -0.16 -4.08 0.01 0.00 -1.06 0.00 0.00 42.46 37.18 1k3j s ILE 147 CO -0.06 0.36 0.88 0.21 -0.10 0.00 0.00 174.94 176.22 1k3j s ASN 148 N 0.03 6.66 0.44 3.58 2.47 -1.24 -4.92 114.94 121.97 1k3j s ASN 148 Ca 0.37 0.55 0.11 0.00 0.42 0.00 0.00 52.86 54.31 1k3j s ASN 148 Cb -0.20 -2.44 0.99 0.00 -1.45 0.00 0.00 41.25 38.15 1k3j s ASN 148 CO 0.21 -0.80 2.05 -0.78 -3.72 0.00 0.00 177.10 174.06 1k3j h ASP 149 N 8.42 0.21 -0.44 -4.21 3.58 -1.95 -2.43 116.42 119.61 1k3j h ASP 149 Ca -0.24 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.21 1k3j h ASP 149 Cb 1.08 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 1k3j h ASP 149 CO 0.96 0.22 0.28 0.11 -2.88 0.00 0.00 179.24 177.93 1k3j h LYS 150 N 0.24 0.56 -0.63 0.28 1.79 -1.94 -1.72 116.57 115.14 1k3j h LYS 150 Ca 0.06 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1k3j h LYS 150 Cb 0.10 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 1k3j h LYS 150 CO -0.00 0.37 0.39 0.35 -1.08 0.00 0.00 179.45 179.47 1k3j h PHE 151 N 0.57 0.72 -0.65 -1.35 3.57 -1.67 -1.87 116.94 116.26 1k3j h PHE 151 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1k3j h PHE 151 Cb -0.04 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1k3j h PHE 151 CO -0.05 0.41 0.29 0.87 -2.23 0.00 0.00 178.31 177.60 1k3j h LYS 152 N 0.76 0.93 -0.21 1.11 1.57 -1.36 -1.31 116.57 118.06 1k3j h LYS 152 Ca 0.25 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1k3j h LYS 152 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1k3j h LYS 152 CO -0.11 0.74 0.05 1.96 -0.57 0.00 0.00 179.45 181.52 1k3j h GLN 153 N 0.93 0.34 -0.32 3.15 4.20 -0.63 -1.26 115.11 121.51 1k3j h GLN 153 Ca 0.22 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1k3j h GLN 153 Cb 0.13 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1k3j h GLN 153 CO -0.03 0.46 0.12 0.00 -0.67 0.00 0.00 178.83 178.71 1k3j h LEU 155 N 0.37 0.70 -1.40 0.00 -0.00 -1.20 0.87 115.31 114.66 1k3j h LEU 155 Ca 0.11 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1k3j h LEU 155 Cb 0.20 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1k3j h LEU 155 CO -0.01 0.55 0.19 -0.08 -0.00 0.00 0.00 178.44 179.10 1k3j h GLU 156 N 0.80 0.60 0.08 1.13 4.57 -0.92 -3.01 114.58 117.84 1k3j h GLU 156 Ca 0.21 -0.07 -0.35 0.00 -1.18 0.00 0.00 59.36 57.97 1k3j h GLU 156 Cb -0.01 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1k3j h GLU 156 CO -0.04 0.48 -2.00 0.94 -1.18 0.00 0.00 179.01 177.21 1k3j n GLN 157 N -4.39 0.71 -0.07 1.92 7.27 -0.69 -5.06 117.38 117.07 1k3j n GLN 157 Ca 0.03 0.25 0.01 0.00 0.07 0.00 0.00 57.00 57.36 1k3j n GLN 157 Cb 0.13 -1.70 -0.00 0.00 2.41 0.00 0.00 30.24 31.08 1k3j n GLN 157 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1k3j n ASN 158 N -3.32 -1.53 -4.85 1.69 0.23 0.30 -4.69 115.26 103.08 1k3j n ASN 158 Ca -0.30 0.08 -0.37 0.00 -0.53 0.00 0.00 54.58 53.46 1k3j n ASN 158 Cb 1.05 -0.31 -0.06 0.00 -2.08 0.00 0.00 39.78 38.38 1k3j n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1k3j s LYS 159 N -0.28 3.86 -0.17 -3.83 2.20 -1.26 -5.02 119.74 115.23 1k3j s LYS 159 Ca 0.00 0.33 -0.07 0.00 -0.36 0.00 0.00 55.97 55.87 1k3j s LYS 159 Cb 0.00 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1k3j s LYS 159 CO 0.00 0.65 0.08 0.14 -0.36 0.00 0.00 175.35 175.85 1k3j s VAL 160 N -1.19 4.92 -0.31 4.02 -7.23 -1.26 -5.08 120.40 114.27 1k3j s VAL 160 Ca 0.27 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.34 1k3j s VAL 160 Cb -0.16 -3.21 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1k3j s VAL 160 CO 0.15 0.48 0.19 -0.62 -0.31 0.00 0.00 175.10 174.99 1k3j s ASP 161 N 0.17 5.80 0.12 4.85 2.15 -1.26 -5.07 116.67 123.43 1k3j s ASP 161 Ca 0.05 -0.39 0.01 0.00 0.43 0.00 0.00 52.55 52.66 1k3j s ASP 161 Cb -0.12 -2.07 -0.04 0.00 -0.30 0.00 0.00 42.92 40.39 1k3j s ASP 161 CO 0.00 -0.18 -0.02 -0.13 -0.17 0.00 0.00 175.17 174.67 1k3j s ARG 162 N 1.68 0.90 -0.22 4.34 0.52 -1.26 -5.14 118.95 119.77 1k3j s ARG 162 Ca 0.06 -1.40 -0.15 0.00 -0.52 0.00 0.00 55.73 53.72 1k3j s ARG 162 Cb -0.17 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.16 1k3j s ARG 162 CO 0.08 -0.10 0.34 0.42 0.02 0.00 0.00 175.30 176.07 1k3j s ILE 163 N -3.74 5.23 0.00 1.52 1.01 -1.26 -5.35 121.20 118.61 1k3j s ILE 163 Ca 0.17 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1k3j s ILE 163 Cb 0.06 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1k3j s ILE 163 CO -0.02 0.26 0.25 -1.14 0.00 0.00 0.00 174.94 174.29