#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6q s GLN 2 N 0.00 4.11 0.34 1.61 -1.52 -1.26 -5.23 119.66 117.71 3k6q s GLN 2 Ca 0.00 0.51 0.08 0.00 -1.95 0.00 0.00 55.36 54.01 3k6q s GLN 2 Cb 0.00 -3.29 -0.05 0.00 -0.22 0.00 0.00 33.01 29.46 3k6q s GLN 2 CO 0.00 0.53 0.09 0.95 -0.25 0.00 0.00 175.29 176.60 3k6q s THR 3 N -0.60 2.83 -0.08 -0.19 -4.23 -1.26 -4.32 115.64 107.79 3k6q s THR 3 Ca 0.26 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3k6q s THR 3 Cb -0.17 -2.90 -0.00 0.00 1.34 0.00 0.00 72.50 70.77 3k6q s THR 3 CO 0.14 -0.18 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.20 3k6q s ILE 4 N -2.47 1.80 0.41 2.99 1.01 -0.18 -4.97 121.20 119.80 3k6q s ILE 4 Ca 0.37 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 3k6q s ILE 4 Cb -0.01 -1.56 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 3k6q s ILE 4 CO 0.21 0.50 1.37 0.59 0.00 0.00 0.00 174.94 177.61 3k6q n ASN 5 N 3.41 3.07 -0.16 3.58 3.02 -1.26 -0.87 115.26 126.05 3k6q n ASN 5 Ca -0.19 1.15 0.09 0.00 -0.03 0.00 0.00 54.58 55.59 3k6q n ASN 5 Cb 0.53 -1.55 0.40 0.00 -0.61 0.00 0.00 39.78 38.55 3k6q n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k6q h ALA 6 N 2.38 1.82 -0.57 5.41 0.00 -1.14 -1.98 119.26 125.19 3k6q h ALA 6 Ca -0.49 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.43 3k6q h ALA 6 Cb 1.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3k6q h ALA 6 CO 0.61 0.05 0.36 1.15 0.00 0.00 0.00 179.25 181.42 3k6q h THR 7 N 0.63 1.09 -0.79 0.00 2.02 -1.91 -0.03 112.91 113.92 3k6q h THR 7 Ca 0.31 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3k6q h THR 7 Cb 0.40 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3k6q h THR 7 CO -0.10 0.13 0.36 -0.08 0.37 0.00 0.00 175.52 176.20 3k6q h GLU 8 N 0.72 1.15 0.16 6.66 4.57 -1.74 -0.04 114.58 126.06 3k6q h GLU 8 Ca 0.22 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3k6q h GLU 8 Cb -0.01 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.38 3k6q h GLU 8 CO -0.08 0.90 -0.08 0.82 -1.18 0.00 0.00 179.01 179.39 3k6q h ILE 9 N 1.14 0.91 -0.96 2.32 1.08 -1.24 -2.25 117.51 118.50 3k6q h ILE 9 Ca 0.27 -0.33 0.12 0.00 -0.39 0.00 0.00 64.86 64.53 3k6q h ILE 9 Cb 0.14 1.12 -0.08 0.00 -3.07 0.00 0.00 36.82 34.93 3k6q h ILE 9 CO -0.03 0.08 0.59 -0.09 -0.69 0.00 0.00 178.15 178.01 3k6q h ARG 10 N -0.38 0.90 0.00 2.37 2.43 -0.79 -0.32 114.38 118.59 3k6q h ARG 10 Ca -0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3k6q h ARG 10 Cb 0.30 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3k6q h ARG 10 CO 0.04 0.60 0.00 0.09 -1.51 0.00 0.00 179.97 179.18 3k6q n ASN 11 N -4.66 0.14 -2.67 -3.80 3.02 -0.05 -3.53 115.26 103.72 3k6q n ASN 11 Ca 0.18 0.52 -0.07 0.00 -0.03 0.00 0.00 54.58 55.18 3k6q n ASN 11 Cb 0.35 -0.55 0.04 0.00 -0.61 0.00 0.00 39.78 39.01 3k6q n ASN 11 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k6q n ASN 12 N -1.64 2.16 0.03 6.41 3.02 -0.85 -4.98 115.26 119.41 3k6q n ASN 12 Ca 0.06 -2.51 -0.11 0.00 -0.03 0.00 0.00 54.58 51.99 3k6q n ASN 12 Cb 0.34 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 3k6q n ASN 12 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3k6q h PHE 13 N 2.64 -0.08 -0.70 3.10 3.57 -1.12 -1.73 116.94 122.62 3k6q h PHE 13 Ca -0.04 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3k6q h PHE 13 Cb 1.27 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 3k6q h PHE 13 CO 0.56 -0.05 0.45 1.03 -2.23 0.00 0.00 178.31 178.08 3k6q h SER 14 N -0.04 0.77 -0.22 0.41 0.87 -1.91 -1.16 113.55 112.26 3k6q h SER 14 Ca 0.02 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3k6q h SER 14 Cb 0.08 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3k6q h SER 14 CO -0.05 0.55 0.03 0.22 -0.53 0.00 0.00 176.83 177.04 3k6q h TYR 15 N 0.91 0.05 -0.30 2.24 3.20 -1.86 -1.69 116.97 119.51 3k6q h TYR 15 Ca 0.27 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.03 3k6q h TYR 15 Cb -0.06 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3k6q h TYR 15 CO -0.03 0.00 -0.30 1.88 -1.64 0.00 0.00 178.16 178.07 3k6q h TYR 16 N 0.11 0.73 0.02 -3.82 0.05 -0.88 0.74 116.97 113.92 3k6q h TYR 16 Ca 0.10 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.71 3k6q h TYR 16 Cb 0.11 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3k6q h TYR 16 CO -0.16 0.86 -0.11 0.82 -1.05 0.00 0.00 178.16 178.52 3k6q h ILE 17 N 0.54 0.73 -0.52 -2.88 2.04 -1.04 0.55 117.51 116.92 3k6q h ILE 17 Ca 0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.03 3k6q h ILE 17 Cb 0.79 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.51 3k6q h ILE 17 CO 0.06 0.00 -0.01 0.44 0.00 0.00 0.00 178.15 178.65 3k6q h ASP 18 N -0.20 -0.23 -0.60 1.72 5.19 -0.90 -0.58 116.42 120.81 3k6q h ASP 18 Ca 0.03 0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 3k6q h ASP 18 Cb 0.24 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 3k6q h ASP 18 CO -0.10 -0.08 0.19 0.74 -3.12 0.00 0.00 179.24 176.88 3k6q h THR 19 N 0.11 1.24 -0.20 0.35 2.02 -0.25 -1.08 112.91 115.11 3k6q h THR 19 Ca 0.26 -0.82 -0.19 0.00 0.77 0.00 0.00 66.41 66.44 3k6q h THR 19 Cb 0.40 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3k6q h THR 19 CO -0.44 0.31 -0.64 0.58 0.37 0.00 0.00 175.52 175.70 3k6q h VAL 20 N 0.85 1.30 -0.27 3.16 2.07 -0.61 0.35 116.25 123.11 3k6q h VAL 20 Ca 0.19 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 3k6q h VAL 20 Cb 0.28 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3k6q h VAL 20 CO -0.01 0.59 0.07 0.58 0.02 0.00 0.00 177.57 178.83 3k6q h VAL 21 N 0.52 1.21 0.01 2.57 2.07 -1.01 -3.29 116.25 118.34 3k6q h VAL 21 Ca -0.01 -0.67 -0.35 0.00 0.82 0.00 0.00 66.70 66.48 3k6q h VAL 21 Cb 1.23 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 3k6q h VAL 21 CO 0.13 0.22 -2.19 0.54 0.02 0.00 0.00 177.57 176.28 3k6q n ARG 22 N -4.71 0.67 0.00 1.57 1.74 -0.42 -4.82 116.66 110.70 3k6q n ARG 22 Ca -0.03 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3k6q n ARG 22 Cb 0.17 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 3k6q n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3k6q n ASP 23 N -2.97 0.00 -3.77 0.55 8.00 0.12 -5.07 116.55 113.41 3k6q n ASP 23 Ca -0.31 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.08 3k6q n ASP 23 Cb 1.09 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 42.09 3k6q n ASP 23 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3k6q s LYS 24 N -0.19 0.78 0.67 -1.24 -2.85 -0.94 -5.01 119.74 110.97 3k6q s LYS 24 Ca 0.00 -0.51 -0.15 0.00 -1.00 0.00 0.00 55.97 54.31 3k6q s LYS 24 Cb 0.00 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 3k6q s LYS 24 CO 0.00 -0.25 1.15 -2.14 0.10 0.00 0.00 175.35 174.21 3k6q s PRO 25 N -2.48 2.63 0.09 1.78 0.02 -1.26 -4.01 135.00 131.76 3k6q s PRO 25 Ca -0.05 1.54 0.06 0.00 0.02 0.00 0.00 61.00 62.56 3k6q s PRO 25 Cb -0.01 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 3k6q s PRO 25 CO -0.03 -1.41 -0.15 0.96 -0.33 0.00 0.00 177.00 176.04 3k6q s ILE 26 N -2.16 1.23 -0.14 2.83 -4.36 -0.78 -4.99 121.20 112.82 3k6q s ILE 26 Ca 0.70 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 59.62 3k6q s ILE 26 Cb -0.24 -1.25 -0.02 0.00 1.25 0.00 0.00 42.46 42.19 3k6q s ILE 26 CO 0.41 -0.27 -0.07 0.00 0.24 0.00 0.00 174.94 175.25 3k6q s ALA 27 N -1.53 2.87 -0.09 2.27 0.00 -1.26 -0.87 121.76 123.15 3k6q s ALA 27 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3k6q s ALA 27 Cb -0.08 -1.43 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 3k6q s ALA 27 CO 0.03 0.25 -0.24 0.08 0.00 0.00 0.00 175.76 175.87 3k6q s VAL 28 N 0.30 2.03 -0.17 0.00 1.01 0.22 -1.01 120.40 122.78 3k6q s VAL 28 Ca -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 3k6q s VAL 28 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3k6q s VAL 28 CO 0.04 0.56 -0.05 -0.75 0.00 0.00 0.00 175.10 174.90 3k6q s LYS 29 N 0.23 3.55 -0.36 2.72 2.20 -0.05 -0.92 119.74 127.11 3k6q s LYS 29 Ca -0.15 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 3k6q s LYS 29 Cb -0.17 -2.92 0.11 0.00 -1.51 0.00 0.00 37.83 33.33 3k6q s LYS 29 CO 0.08 0.09 0.10 0.50 -0.36 0.00 0.00 175.35 175.76 3k6q s ARG 30 N 0.74 1.32 5.44 4.03 3.00 0.19 -0.50 118.95 133.17 3k6q s ARG 30 Ca -0.02 -1.77 0.00 0.00 -1.00 0.00 0.00 55.73 52.94 3k6q s ARG 30 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 34.95 31.97 3k6q s ARG 30 CO 0.02 -0.99 0.00 0.09 0.00 0.00 0.00 175.30 174.42 3k6q n ASN 31 N 4.22 0.00 0.11 -2.12 3.02 -1.26 -0.48 115.26 118.75 3k6q n ASN 31 Ca 0.03 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.71 3k6q n ASN 31 Cb 0.40 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 39.98 3k6q n ASN 31 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3k6q n ARG 32 N 14.00 0.26 -3.12 3.52 0.00 -1.26 -4.87 116.66 125.20 3k6q n ARG 32 Ca 0.00 0.22 -0.39 0.00 -0.00 0.00 0.00 57.85 57.68 3k6q n ARG 32 Cb 0.00 -1.81 -0.06 0.00 -0.00 0.00 0.00 32.46 30.59 3k6q n ARG 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3k6q s ASP 33 N -4.54 7.16 -0.14 2.89 1.01 0.37 -5.07 116.67 118.36 3k6q s ASP 33 Ca 0.10 1.38 -0.01 0.00 0.71 0.00 0.00 52.55 54.73 3k6q s ASP 33 Cb 0.12 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3k6q s ASP 33 CO 0.59 0.16 -0.12 -0.69 0.21 0.00 0.00 175.17 175.32 3k6q s VAL 34 N -0.65 3.13 0.21 -1.27 1.01 -1.26 0.54 120.40 122.11 3k6q s VAL 34 Ca 0.33 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3k6q s VAL 34 Cb -0.20 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3k6q s VAL 34 CO 0.21 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.96 3k6q s LEU 35 N 0.43 2.89 -0.07 3.92 1.02 -0.10 -4.97 118.68 121.80 3k6q s LEU 35 Ca -0.09 -0.69 0.04 0.00 0.02 0.00 0.00 54.13 53.40 3k6q s LEU 35 Cb -0.16 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.53 3k6q s LEU 35 CO 0.05 0.08 -0.18 -0.76 0.02 0.00 0.00 176.35 175.55 3k6q s LEU 36 N -3.06 1.90 -0.13 1.79 1.43 -1.26 -0.61 118.68 118.73 3k6q s LEU 36 Ca 0.26 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3k6q s LEU 36 Cb -0.08 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 3k6q s LEU 36 CO 0.15 0.13 -0.16 -0.36 0.23 0.00 0.00 176.35 176.34 3k6q s PHE 37 N 0.31 2.75 0.03 0.29 0.40 -0.05 -5.01 117.98 116.70 3k6q s PHE 37 Ca -0.12 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.40 3k6q s PHE 37 Cb -0.15 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 3k6q s PHE 37 CO 0.05 -0.32 -0.08 -0.06 0.70 0.00 0.00 175.22 175.51 3k6q s PHE 38 N 0.47 0.66 0.63 0.36 0.40 -1.26 -1.86 117.98 117.39 3k6q s PHE 38 Ca -0.11 -0.37 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 3k6q s PHE 38 Cb -0.16 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 3k6q s PHE 38 CO 0.05 -0.05 1.28 -1.13 0.70 0.00 0.00 175.22 176.07 3k6q n SER 39 N 1.92 2.09 -0.28 1.36 3.41 -1.24 -4.89 113.62 115.99 3k6q n SER 39 Ca -0.20 0.85 0.09 0.00 -0.26 0.00 0.00 58.87 59.35 3k6q n SER 39 Cb 0.56 -1.55 0.23 0.00 -0.26 0.00 0.00 64.21 63.19 3k6q n SER 39 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3k6q h GLU 40 N 0.65 0.35 -0.76 4.33 4.81 -1.94 -2.55 114.58 119.48 3k6q h GLU 40 Ca -0.51 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 3k6q h GLU 40 Cb 1.34 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3k6q h GLU 40 CO 0.53 0.23 0.27 0.37 -0.73 0.00 0.00 179.01 179.68 3k6q h GLN 41 N 0.36 1.15 -0.65 1.92 5.75 -1.96 -1.03 115.11 120.66 3k6q h GLN 41 Ca 0.47 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.76 3k6q h GLN 41 Cb 0.83 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 3k6q h GLN 41 CO -0.50 0.96 0.42 0.82 -2.65 0.00 0.00 178.83 177.88 3k6q h ILE 42 N 1.11 1.15 -0.33 2.39 1.08 -1.83 0.17 117.51 121.26 3k6q h ILE 42 Ca 0.25 -0.30 -0.04 0.00 -0.39 0.00 0.00 64.86 64.38 3k6q h ILE 42 Cb 0.26 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 3k6q h ILE 42 CO -0.01 0.16 0.04 0.40 -0.69 0.00 0.00 178.15 178.05 3k6q h ILE 43 N 0.86 1.24 -0.49 -0.67 1.08 -1.39 -0.29 117.51 117.85 3k6q h ILE 43 Ca 0.24 -0.84 0.09 0.00 -0.39 0.00 0.00 64.86 63.96 3k6q h ILE 43 Cb -0.08 1.16 -0.08 0.00 -3.07 0.00 0.00 36.82 34.75 3k6q h ILE 43 CO -0.06 0.28 0.00 0.11 -0.69 0.00 0.00 178.15 177.79 3k6q h LYS 44 N 0.37 0.12 -0.64 2.37 1.57 -0.91 -2.11 116.57 117.34 3k6q h LYS 44 Ca 0.10 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3k6q h LYS 44 Cb 0.37 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3k6q h LYS 44 CO 0.01 0.08 0.40 -0.44 -0.57 0.00 0.00 179.45 178.93 3k6q h ASP 45 N 0.12 0.67 -0.03 0.86 3.32 -0.84 -2.20 116.42 118.32 3k6q h ASP 45 Ca 0.25 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3k6q h ASP 45 Cb 0.37 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3k6q h ASP 45 CO -0.41 0.47 -0.02 0.25 -1.72 0.00 0.00 179.24 177.82 3k6q h LEU 46 N 0.80 0.12 -2.34 1.55 6.46 -0.48 -2.24 115.31 119.18 3k6q h LEU 46 Ca 0.25 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3k6q h LEU 46 Cb -0.01 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 3k6q h LEU 46 CO -0.09 0.17 0.00 0.18 -0.62 0.00 0.00 178.44 178.08 3k6q n LEU 47 N -4.44 3.42 -0.29 2.25 4.77 -0.85 -4.63 117.00 117.24 3k6q n LEU 47 Ca -0.01 -1.67 0.07 0.00 -0.03 0.00 0.00 56.01 54.37 3k6q n LEU 47 Cb 0.15 -0.39 0.22 0.00 -2.33 0.00 0.00 43.42 41.06 3k6q n LEU 47 CO 0.35 0.83 1.10 -0.61 -1.33 0.00 0.00 177.39 177.74 3k6q h GLN 48 N 3.87 0.62 -0.31 3.23 5.75 -0.93 -2.33 115.11 125.02 3k6q h GLN 48 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3k6q h GLN 48 Cb 0.88 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.29 3k6q h GLN 48 CO 0.00 0.41 0.00 -0.25 -2.65 0.00 0.00 178.83 176.34 3k6q n ASP 49 N -4.86 2.55 -4.64 -0.69 8.00 -1.26 -4.86 116.55 110.79 3k6q n ASP 49 Ca 0.17 -1.88 -0.43 0.00 0.71 0.00 0.00 54.79 53.36 3k6q n ASP 49 Cb 0.42 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 3k6q n ASP 49 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3k6q s LEU 50 N -1.44 3.97 0.06 0.64 2.96 -0.88 -5.02 118.68 118.98 3k6q s LEU 50 Ca 0.35 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.45 3k6q s LEU 50 Cb 0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 3k6q s LEU 50 CO 0.28 -0.84 -0.10 -0.54 -1.32 0.00 0.00 176.35 173.82 3k6q s LYS 51 N 3.58 2.26 -0.21 1.98 3.01 -1.26 -4.97 119.74 124.12 3k6q s LYS 51 Ca 0.46 -0.92 -0.10 0.00 -1.01 0.00 0.00 55.97 54.40 3k6q s LYS 51 Cb -0.13 -2.35 -0.05 0.00 -1.01 0.00 0.00 37.83 34.29 3k6q s LYS 51 CO 0.14 0.54 0.13 0.42 0.51 0.00 0.00 175.35 177.09 3k6q s ILE 52 N -1.10 5.32 -0.36 2.17 1.01 -0.44 -5.03 121.20 122.76 3k6q s ILE 52 Ca 0.19 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 3k6q s ILE 52 Cb -0.11 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.93 3k6q s ILE 52 CO 0.10 0.40 0.22 -1.00 0.00 0.00 0.00 174.94 174.67 3k6q s HIS 53 N 0.64 3.23 -0.14 3.97 3.76 -1.26 -0.77 115.29 124.72 3k6q s HIS 53 Ca 0.07 -0.74 -0.11 0.00 -0.15 0.00 0.00 55.06 54.13 3k6q s HIS 53 Cb -0.12 -2.46 -0.05 0.00 1.11 0.00 0.00 32.58 31.07 3k6q s HIS 53 CO 0.01 -0.57 0.24 0.00 -0.85 0.00 0.00 174.74 173.57 3k6q s ALA 54 N 1.61 3.70 -0.22 -1.40 0.00 0.26 -2.42 121.76 123.28 3k6q s ALA 54 Ca 0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 3k6q s ALA 54 Cb -0.19 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3k6q s ALA 54 CO 0.08 0.29 0.11 -1.21 0.00 0.00 0.00 175.76 175.02 3k6q s GLU 55 N -0.15 3.93 -0.14 0.00 2.02 0.37 -1.35 118.70 123.38 3k6q s GLU 55 Ca 0.15 -0.35 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 3k6q s GLU 55 Cb -0.13 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3k6q s GLU 55 CO 0.04 0.06 -0.10 -0.51 0.02 0.00 0.00 175.26 174.77 3k6q s LEU 56 N 1.00 2.89 -0.12 1.80 1.02 -0.24 -0.81 118.68 124.22 3k6q s LEU 56 Ca 0.05 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 53.97 3k6q s LEU 56 Cb -0.14 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.42 3k6q s LEU 56 CO 0.03 0.17 -0.19 -0.55 0.02 0.00 0.00 176.35 175.83 3k6q s SER 57 N 0.34 2.79 -0.15 2.29 0.15 -0.38 -0.29 113.70 118.45 3k6q s SER 57 Ca -0.09 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.06 3k6q s SER 57 Cb -0.15 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 3k6q s SER 57 CO 0.05 0.07 -0.18 -0.75 1.20 0.00 0.00 173.24 173.63 3k6q s LYS 58 N 0.78 3.13 -0.05 5.44 2.20 -1.26 -0.43 119.74 129.55 3k6q s LYS 58 Ca -0.09 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.70 3k6q s LYS 58 Cb -0.16 -2.54 0.04 0.00 -1.51 0.00 0.00 37.83 33.66 3k6q s LYS 58 CO 0.01 0.01 0.10 -2.00 -0.36 0.00 0.00 175.35 173.11 3k6q s GLU 59 N 0.80 0.04 -1.39 4.03 2.12 -0.55 -4.93 118.70 118.81 3k6q s GLU 59 Ca -0.06 0.31 -0.09 0.00 0.36 0.00 0.00 54.97 55.49 3k6q s GLU 59 Cb -0.15 -0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.06 3k6q s GLU 59 CO -0.01 -0.17 1.04 -0.25 -0.54 0.00 0.00 175.26 175.33 3k6q n ASP 60 N 4.23 -4.71 0.00 -1.70 9.92 -1.26 -1.99 116.55 121.03 3k6q n ASP 60 Ca -0.27 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 3k6q n ASP 60 Cb 0.51 -4.54 0.00 0.00 -0.64 0.00 0.00 41.12 36.45 3k6q n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k6q n GLY 61 N -1.75 2.53 3.62 0.44 0.00 -1.26 -5.00 105.19 103.78 3k6q n GLY 61 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3k6q n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k6q s ILE 62 N -3.05 4.52 -0.18 -0.61 -1.09 -0.84 -4.61 121.20 115.35 3k6q s ILE 62 Ca 0.00 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 3k6q s ILE 62 Cb 0.00 -3.00 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 3k6q s ILE 62 CO 0.00 0.51 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.53 3k6q s ILE 63 N 0.05 3.53 -0.21 2.92 1.01 0.15 -1.48 121.20 127.18 3k6q s ILE 63 Ca 0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3k6q s ILE 63 Cb -0.13 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3k6q s ILE 63 CO 0.01 0.46 0.30 -0.63 0.00 0.00 0.00 174.94 175.08 3k6q s ILE 64 N 0.85 5.28 -0.01 2.92 -1.09 0.42 -1.00 121.20 128.57 3k6q s ILE 64 Ca -0.01 0.50 0.04 0.00 -2.23 0.00 0.00 60.65 58.94 3k6q s ILE 64 Cb -0.15 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 3k6q s ILE 64 CO 0.01 0.31 -0.11 -0.83 -1.23 0.00 0.00 174.94 173.10 3k6q s GLY 65 N 0.92 1.66 0.12 6.18 0.00 -0.39 -1.25 107.32 114.55 3k6q s GLY 65 Ca 0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 3k6q s GLY 65 CO 0.06 -0.87 0.04 -0.51 0.00 0.00 0.00 173.10 171.82 3k6q s THR 66 N -0.90 0.16 -0.06 0.90 -4.23 0.01 -1.99 115.64 109.53 3k6q s THR 66 Ca 0.15 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 3k6q s THR 66 Cb -0.11 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 3k6q s THR 66 CO 0.05 -0.57 -0.23 -0.63 -0.54 0.00 0.00 174.62 172.70 3k6q s ILE 67 N -4.00 2.30 -0.63 2.99 1.01 -1.25 -0.48 121.20 121.14 3k6q s ILE 67 Ca 0.21 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 3k6q s ILE 67 Cb 0.07 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3k6q s ILE 67 CO -0.00 0.57 1.95 1.51 0.00 0.00 0.00 174.94 178.97 3k6q s ASP 68 N -0.30 5.12 0.00 3.58 3.84 -1.01 -3.03 116.67 124.87 3k6q s ASP 68 Ca 0.01 0.33 0.00 0.00 -0.00 0.00 0.00 52.55 52.89 3k6q s ASP 68 Cb -0.13 -2.53 0.00 0.00 -1.38 0.00 0.00 42.92 38.88 3k6q s ASP 68 CO 0.02 -2.51 0.00 0.61 -0.00 0.00 0.00 175.17 173.30 3k6q n GLY 69 N 5.87 0.91 0.00 2.12 0.00 -1.26 -4.90 105.19 107.93 3k6q n GLY 69 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3k6q n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k6q n PHE 70 N -0.53 0.00 -1.39 1.61 3.72 -1.17 -4.99 117.46 114.71 3k6q n PHE 70 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3k6q n PHE 70 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 3k6q n PHE 70 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3k6q n ASP 71 N -1.06 -4.69 -4.83 4.37 2.03 -1.26 -5.01 116.55 106.10 3k6q n ASP 71 Ca 0.00 0.33 -0.38 0.00 0.52 0.00 0.00 54.79 55.26 3k6q n ASP 71 Cb 0.00 -3.37 -0.06 0.00 -0.72 0.00 0.00 41.12 36.97 3k6q n ASP 71 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k6q s LEU 72 N -3.06 4.49 -0.06 -2.67 1.43 -1.26 -5.07 118.68 112.48 3k6q s LEU 72 Ca 0.00 1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 54.13 3k6q s LEU 72 Cb 0.00 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.50 3k6q s LEU 72 CO 0.00 0.30 0.15 0.54 0.23 0.00 0.00 176.35 177.57 3k6q s VAL 73 N -1.11 -0.00 0.07 -1.59 0.11 -1.26 -3.81 120.40 112.81 3k6q s VAL 73 Ca 0.26 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3k6q s VAL 73 Cb -0.18 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3k6q s VAL 73 CO 0.16 0.00 0.02 0.68 -3.33 0.00 0.00 175.10 172.63 3k6q s VAL 74 N 0.08 0.19 0.10 2.04 -7.23 -0.84 -5.01 120.40 109.73 3k6q s VAL 74 Ca -0.00 -1.74 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 3k6q s VAL 74 Cb -0.01 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3k6q s VAL 74 CO 0.00 -0.85 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.18 3k6q s SER 75 N -2.94 2.62 0.05 4.85 0.15 -1.26 -1.26 113.70 115.91 3k6q s SER 75 Ca 0.10 -0.69 -0.21 0.00 0.70 0.00 0.00 55.95 55.85 3k6q s SER 75 Cb 0.07 -0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.31 3k6q s SER 75 CO -0.08 0.08 0.99 0.61 1.20 0.00 0.00 173.24 176.03 3k6q n GLY 76 N 1.09 0.45 0.05 9.45 0.00 -0.17 -4.79 105.19 111.28 3k6q n GLY 76 Ca -0.19 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 44.85 3k6q n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k6q n GLU 77 N -0.70 1.70 -4.12 1.61 1.02 -1.26 0.34 120.64 119.23 3k6q n GLU 77 Ca 0.02 -0.12 -0.10 0.00 -0.02 0.00 0.00 57.16 56.94 3k6q n GLU 77 Cb 0.48 -1.26 -0.09 0.00 -0.02 0.00 0.00 31.44 30.55 3k6q n GLU 77 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3k6q s SER 78 N -2.44 0.19 0.28 1.62 1.04 -1.26 -4.82 113.70 108.31 3k6q s SER 78 Ca 0.07 -1.17 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 3k6q s SER 78 Cb 0.12 0.36 0.45 0.00 0.10 0.00 0.00 66.02 67.06 3k6q s SER 78 CO 0.63 -0.82 1.89 -0.08 0.98 0.00 0.00 173.24 175.84 3k6q h GLU 79 N 2.70 1.09 -0.12 4.02 4.81 -1.99 -2.40 114.58 122.69 3k6q h GLU 79 Ca -0.34 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 58.63 3k6q h GLU 79 Cb 1.22 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 3k6q h GLU 79 CO 0.54 0.72 -0.72 1.96 -0.73 0.00 0.00 179.01 180.79 3k6q h GLN 80 N 1.13 0.54 -0.67 1.92 7.50 -1.99 -1.45 115.11 122.09 3k6q h GLN 80 Ca 0.42 -0.43 -0.06 0.00 0.50 0.00 0.00 58.65 59.08 3k6q h GLN 80 Cb 0.19 0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.78 3k6q h GLN 80 CO -0.17 1.05 0.17 1.49 -1.50 0.00 0.00 178.83 179.88 3k6q h GLU 81 N 0.38 1.06 -0.40 1.46 4.81 -1.91 -2.39 114.58 117.59 3k6q h GLU 81 Ca -0.03 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3k6q h GLU 81 Cb 1.30 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3k6q h GLU 81 CO 0.13 0.94 0.26 0.28 -0.73 0.00 0.00 179.01 179.89 3k6q h VAL 82 N 0.99 1.08 -0.81 0.32 2.07 -1.24 -2.42 116.25 116.24 3k6q h VAL 82 Ca 0.21 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3k6q h VAL 82 Cb 0.35 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3k6q h VAL 82 CO 0.00 0.09 0.40 0.40 0.02 0.00 0.00 177.57 178.49 3k6q h ILE 83 N 0.52 1.25 -0.33 4.57 2.04 -1.18 0.41 117.51 124.80 3k6q h ILE 83 Ca 0.15 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3k6q h ILE 83 Cb -0.04 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3k6q h ILE 83 CO -0.05 0.29 0.19 -0.61 0.00 0.00 0.00 178.15 177.97 3k6q h GLN 84 N 1.14 0.37 -0.30 2.37 5.75 -1.25 -0.40 115.11 122.80 3k6q h GLN 84 Ca 0.28 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.60 3k6q h GLN 84 Cb 0.10 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3k6q h GLN 84 CO -0.04 0.25 -0.46 0.87 -2.65 0.00 0.00 178.83 176.80 3k6q h LYS 85 N 0.38 0.78 -0.59 1.69 1.57 -1.16 -0.56 116.57 118.69 3k6q h LYS 85 Ca 0.13 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3k6q h LYS 85 Cb 0.01 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3k6q h LYS 85 CO -0.07 1.07 0.38 -0.07 -0.57 0.00 0.00 179.45 180.19 3k6q h LEU 86 N 0.62 0.68 -0.43 2.94 3.38 -0.70 0.70 115.31 122.51 3k6q h LEU 86 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3k6q h LEU 86 Cb 1.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3k6q h LEU 86 CO 0.10 0.50 -0.05 0.00 0.09 0.00 0.00 178.44 179.08 3k6q h ALA 87 N 1.21 0.59 -0.17 1.53 0.00 -0.80 0.23 119.26 121.85 3k6q h ALA 87 Ca 0.21 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3k6q h ALA 87 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3k6q h ALA 87 CO -0.04 0.42 0.05 0.93 0.00 0.00 0.00 179.25 180.61 3k6q h GLU 88 N 0.63 0.12 -0.23 0.00 5.08 -0.93 -1.51 114.58 117.74 3k6q h GLU 88 Ca 0.12 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3k6q h GLU 88 Cb 0.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3k6q h GLU 88 CO 0.03 0.08 -0.09 -0.44 -1.00 0.00 0.00 179.01 177.59 3k6q h ASP 89 N 0.13 0.35 -0.33 1.42 5.19 -0.47 -1.81 116.42 120.90 3k6q h ASP 89 Ca 0.07 -0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3k6q h ASP 89 Cb 0.05 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 3k6q h ASP 89 CO -0.09 0.48 0.06 -0.07 -3.12 0.00 0.00 179.24 176.51 3k6q h LEU 90 N 0.35 0.51 -0.35 1.55 3.38 -0.29 0.04 115.31 120.51 3k6q h LEU 90 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3k6q h LEU 90 Cb 0.38 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3k6q h LEU 90 CO 0.02 0.63 0.13 0.25 0.09 0.00 0.00 178.44 179.56 3k6q h LEU 91 N 0.37 0.49 -0.30 1.67 5.85 -1.04 0.20 115.31 122.54 3k6q h LEU 91 Ca 0.10 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k6q h LEU 91 Cb 0.34 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3k6q h LEU 91 CO 0.00 0.54 0.05 -0.08 -0.34 0.00 0.00 178.44 178.61 3k6q h GLU 92 N 0.41 0.15 -0.69 1.25 4.81 -1.30 -1.40 114.58 117.81 3k6q h GLU 92 Ca 0.11 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3k6q h GLU 92 Cb 0.21 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3k6q h GLU 92 CO -0.01 0.10 0.37 -0.92 -0.73 0.00 0.00 179.01 177.82 3k6q h TYR 93 N 0.15 0.94 -0.57 0.92 3.20 -0.64 -1.87 116.97 119.10 3k6q h TYR 93 Ca 0.14 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3k6q h TYR 93 Cb 0.16 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3k6q h TYR 93 CO -0.18 0.66 0.20 0.00 -1.64 0.00 0.00 178.16 177.20 3k6q h ALA 94 N 1.44 0.75 -0.55 1.82 0.00 0.12 0.09 119.26 122.93 3k6q h ALA 94 Ca 0.24 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3k6q h ALA 94 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3k6q h ALA 94 CO -0.04 0.38 -0.00 1.96 0.00 0.00 0.00 179.25 181.56 3k6q h GLN 95 N 0.79 0.97 -0.85 0.00 4.20 -1.07 -2.64 115.11 116.52 3k6q h GLN 95 Ca 0.19 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3k6q h GLN 95 Cb 0.24 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3k6q h GLN 95 CO -0.01 0.98 0.41 -0.44 -0.67 0.00 0.00 178.83 179.10 3k6q h ASP 96 N 0.85 1.11 0.00 1.46 3.32 -1.07 -2.03 116.42 120.06 3k6q h ASP 96 Ca 0.16 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3k6q h ASP 96 Cb 0.54 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3k6q h ASP 96 CO 0.03 0.93 0.00 0.00 -1.72 0.00 0.00 179.24 178.48 3k6q n TYR 97 N -4.32 0.00 0.00 4.55 4.19 -0.00 -2.74 117.16 118.84 3k6q n TYR 97 Ca 0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.29 3k6q n TYR 97 Cb 0.14 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 39.96 3k6q n TYR 97 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3k6q n ASN 99 N 0.10 0.00 -3.09 2.98 4.13 -0.76 -2.24 115.26 116.38 3k6q n ASN 99 Ca 0.00 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.06 3k6q n ASN 99 Cb 0.03 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.23 3k6q n ASN 99 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3k6q n ASP 100 N 0.00 -0.42 -0.12 6.41 -0.08 -1.11 -5.03 116.55 116.21 3k6q n ASP 100 Ca 0.00 -2.89 -0.10 0.00 -1.51 0.00 0.00 54.79 50.29 3k6q n ASP 100 Cb 0.00 -0.07 -0.02 0.00 2.34 0.00 0.00 41.12 43.37 3k6q n ASP 100 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3k6q h PHE 101 N 3.82 0.60 -0.55 -0.67 3.57 -1.74 -1.06 116.94 120.91 3k6q h PHE 101 Ca 0.03 -0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.55 3k6q h PHE 101 Cb 0.93 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 3k6q h PHE 101 CO 0.31 0.61 0.09 0.87 -2.23 0.00 0.00 178.31 177.96 3k6q h LYS 102 N 0.42 0.21 0.48 1.11 6.56 -1.96 0.46 116.57 123.85 3k6q h LYS 102 Ca 0.11 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 3k6q h LYS 102 Cb 0.32 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 3k6q h LYS 102 CO 0.00 0.14 -0.24 1.25 -2.06 0.00 0.00 179.45 178.55 3k6q h LEU 103 N 0.22 -0.57 -0.09 2.94 5.85 -1.88 -3.13 115.31 118.66 3k6q h LEU 103 Ca 0.28 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3k6q h LEU 103 Cb 0.41 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3k6q h LEU 103 CO -0.38 -0.40 0.02 -0.26 -0.34 0.00 0.00 178.44 177.08 3k6q h PHE 104 N -0.66 0.14 -0.38 1.25 -1.00 -0.80 -0.42 116.94 115.08 3k6q h PHE 104 Ca -0.07 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 3k6q h PHE 104 Cb 0.51 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 3k6q h PHE 104 CO 0.10 0.30 0.22 -0.92 -1.61 0.00 0.00 178.31 176.41 3k6q h TYR 105 N -0.06 0.49 -0.02 -0.55 3.20 -0.26 -2.40 116.97 117.38 3k6q h TYR 105 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3k6q h TYR 105 Cb 0.23 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3k6q h TYR 105 CO 0.00 0.34 -0.12 0.09 -1.64 0.00 0.00 178.16 176.83 3k6q n ASN 106 N -4.45 2.30 -4.77 -2.11 3.02 -1.07 -3.42 115.26 104.75 3k6q n ASN 106 Ca 0.03 -1.69 -0.38 0.00 -0.03 0.00 0.00 54.58 52.50 3k6q n ASN 106 Cb 0.08 0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 3k6q n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k6q s ALA 107 N -2.14 3.07 -0.08 5.41 0.00 -0.19 -4.92 121.76 122.92 3k6q s ALA 107 Ca 0.28 0.96 -0.39 0.00 0.00 0.00 0.00 51.96 52.80 3k6q s ALA 107 Cb 0.20 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 3k6q s ALA 107 CO 0.38 -0.59 1.41 -2.30 0.00 0.00 0.00 175.76 174.66 3k6q n PRO 108 N -0.18 0.80 -1.10 0.00 -0.02 -1.26 -1.28 135.00 131.96 3k6q n PRO 108 Ca 0.06 0.29 -0.03 0.00 -2.02 0.00 0.00 63.50 61.79 3k6q n PRO 108 Cb 0.47 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3k6q n PRO 108 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k6q n ASN 109 N 3.18 -4.87 -0.14 2.55 3.02 -1.26 -4.84 115.26 112.90 3k6q n ASN 109 Ca 0.22 0.08 0.06 0.00 -0.03 0.00 0.00 54.58 54.92 3k6q n ASN 109 Cb 0.13 -2.66 -0.04 0.00 -0.61 0.00 0.00 39.78 36.60 3k6q n ASN 109 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3k6q n ARG 110 N -0.95 2.31 -0.11 3.52 1.74 -0.40 -4.49 116.66 118.27 3k6q n ARG 110 Ca -0.03 -0.33 -0.06 0.00 -0.77 0.00 0.00 57.85 56.65 3k6q n ARG 110 Cb 0.35 -1.15 0.02 0.00 -1.02 0.00 0.00 32.46 30.66 3k6q n ARG 110 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3k6q h LYS 111 N 0.70 0.31 0.00 5.56 3.64 -1.71 -1.88 116.57 123.19 3k6q h LYS 111 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3k6q h LYS 111 Cb 0.38 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3k6q h LYS 111 CO 0.00 0.20 0.00 0.25 -2.27 0.00 0.00 179.45 177.63 3k6q n THR 112 N -4.99 1.38 0.19 1.00 -2.24 -1.26 -1.61 114.28 106.75 3k6q n THR 112 Ca 0.01 0.35 0.07 0.00 -2.27 0.00 0.00 64.05 62.21 3k6q n THR 112 Cb 0.12 -1.25 0.25 0.00 -2.10 0.00 0.00 70.33 67.34 3k6q n THR 112 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3k6q h HIS 113 N 0.00 0.00 -0.86 4.78 3.86 -1.59 -3.38 115.15 117.96 3k6q h HIS 113 Ca 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3k6q h HIS 113 Cb 0.08 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 3k6q h HIS 113 CO 0.00 0.31 0.54 -0.92 0.86 0.00 0.00 177.93 178.72 3k6q h TYR 114 N 0.00 1.00 -0.54 2.45 3.20 -1.40 -1.38 116.97 120.30 3k6q h TYR 114 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3k6q h TYR 114 Cb 1.04 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 3k6q h TYR 114 CO 0.00 0.52 0.32 -1.35 -1.64 0.00 0.00 178.16 176.01 3k6q h PRO 115 N 0.99 0.73 -0.41 1.82 0.11 -1.81 0.48 132.00 133.91 3k6q h PRO 115 Ca 0.37 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 3k6q h PRO 115 Cb 0.14 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3k6q h PRO 115 CO -0.16 0.52 -0.11 1.88 -0.21 0.00 0.00 178.00 179.92 3k6q h TYR 116 N 0.74 0.89 -0.10 0.65 0.05 -1.59 -1.08 116.97 116.54 3k6q h TYR 116 Ca 0.19 -0.19 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 3k6q h TYR 116 Cb -0.02 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 3k6q h TYR 116 CO 0.00 0.92 -0.61 -0.84 -1.05 0.00 0.00 178.16 176.58 3k6q h ILE 117 N 0.61 1.37 -0.33 -2.88 -0.00 -0.59 -1.58 117.51 114.12 3k6q h ILE 117 Ca 0.10 -1.97 0.01 0.00 -0.00 0.00 0.00 64.86 63.01 3k6q h ILE 117 Cb 0.64 1.97 -0.02 0.00 -0.00 0.00 0.00 36.82 39.40 3k6q h ILE 117 CO 0.04 0.59 0.19 0.25 -0.00 0.00 0.00 178.15 179.22 3k6q h LEU 118 N 0.25 0.30 -0.63 0.16 5.85 -0.86 -1.66 115.31 118.72 3k6q h LEU 118 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3k6q h LEU 118 Cb 1.14 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3k6q h LEU 118 CO 0.10 0.22 0.34 0.50 -0.34 0.00 0.00 178.44 179.26 3k6q h LYS 119 N 0.39 0.88 -0.41 1.25 3.64 -0.89 -1.29 116.57 120.14 3k6q h LYS 119 Ca 0.13 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3k6q h LYS 119 Cb 0.00 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3k6q h LYS 119 CO -0.06 0.67 0.13 0.28 -2.27 0.00 0.00 179.45 178.20 3k6q h VAL 120 N 0.86 1.21 -0.56 2.00 2.07 -1.16 -1.75 116.25 118.92 3k6q h VAL 120 Ca 0.22 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3k6q h VAL 120 Cb 0.05 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3k6q h VAL 120 CO -0.03 0.25 0.20 -0.07 0.02 0.00 0.00 177.57 177.93 3k6q h LEU 121 N 0.51 0.77 -0.39 2.57 3.38 -1.08 -2.72 115.31 118.34 3k6q h LEU 121 Ca 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k6q h LEU 121 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k6q h LEU 121 CO -0.01 0.71 0.00 -0.07 0.09 0.00 0.00 178.44 179.17 3k6q h LEU 122 N 0.82 0.00-10.10 1.67 3.38 -1.02 -3.45 115.31 106.61 3k6q h LEU 122 Ca 0.19 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.61 3k6q h LEU 122 Cb 0.21 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.10 3k6q h LEU 122 CO -0.01 0.00 0.51 -0.44 0.09 0.00 0.00 178.44 178.59 3k6q s SER 123 N -5.81 4.87 0.22 -0.43 0.01 -0.68 -4.95 113.70 106.94 3k6q s SER 123 Ca 0.06 2.57 0.20 0.00 1.31 0.00 0.00 55.95 60.09 3k6q s SER 123 Cb 0.07 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.72 3k6q s SER 123 CO 0.62 -1.82 1.14 0.28 0.41 0.00 0.00 173.24 173.87 3k6q h SER 124 N 0.77 0.00 -5.04 2.44 0.02 -1.87 -3.48 113.55 106.38 3k6q h SER 124 Ca -0.51 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.52 3k6q h SER 124 Cb 1.32 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.79 3k6q h SER 124 CO 0.54 0.19 0.29 0.54 -1.14 0.00 0.00 176.83 177.25 3k6q s ASN 125 N -5.74 -0.31 0.38 3.07 2.20 -1.26 -5.05 114.94 108.24 3k6q s ASN 125 Ca 0.01 -0.43 0.10 0.00 -0.94 0.00 0.00 52.86 51.60 3k6q s ASN 125 Cb 0.08 0.65 0.77 0.00 -2.00 0.00 0.00 41.25 40.75 3k6q s ASN 125 CO 0.77 -1.16 1.90 0.40 -2.94 0.00 0.00 177.10 176.07 3k6q h ILE 126 N 2.00 1.19 -0.53 0.54 1.08 -1.97 -2.48 117.51 117.34 3k6q h ILE 126 Ca -0.23 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.36 3k6q h ILE 126 Cb 1.26 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.25 3k6q h ILE 126 CO 0.27 0.26 0.16 0.44 -0.69 0.00 0.00 178.15 178.58 3k6q h ASP 127 N 0.21 0.73 -0.57 1.72 3.32 -1.99 0.45 116.42 120.27 3k6q h ASP 127 Ca 0.04 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3k6q h ASP 127 Cb 0.41 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3k6q h ASP 127 CO 0.03 0.69 0.08 -0.33 -1.72 0.00 0.00 179.24 177.99 3k6q h GLU 128 N 0.77 0.96 -0.56 3.56 5.08 -1.87 -2.85 114.58 119.66 3k6q h GLU 128 Ca 0.18 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3k6q h GLU 128 Cb 0.23 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3k6q h GLU 128 CO -0.01 0.92 0.32 0.28 -1.00 0.00 0.00 179.01 179.52 3k6q h VAL 129 N 0.85 1.02 0.00 3.13 2.07 -1.10 -1.99 116.25 120.24 3k6q h VAL 129 Ca 0.17 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3k6q h VAL 129 Cb 0.43 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3k6q h VAL 129 CO 0.01 0.12 -0.06 0.11 0.02 0.00 0.00 177.57 177.76 3k6q h LYS 130 N 0.63 0.00 -0.06 1.57 1.57 -0.78 -2.42 116.57 117.07 3k6q h LYS 130 Ca 0.24 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3k6q h LYS 130 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3k6q h LYS 130 CO -0.12 0.06 0.07 0.78 -0.57 0.00 0.00 179.45 179.67 3k6q h GLY 131 N 0.24 0.00 -0.79 3.86 0.00 -1.13 -2.27 103.07 102.98 3k6q h GLY 131 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3k6q h GLY 131 CO 0.01 0.00 -0.11 1.58 0.00 0.00 0.00 176.54 178.02 3k6q n TYR 132 N -3.90 0.34 -3.67 5.60 0.18 -0.91 -4.93 117.16 109.87 3k6q n TYR 132 Ca -0.01 -1.15 -0.37 0.00 1.88 0.00 0.00 57.90 58.24 3k6q n TYR 132 Cb 0.17 -0.25 -0.12 0.00 -0.38 0.00 0.00 39.34 38.76 3k6q n TYR 132 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3k6q s ILE 133 N -2.99 4.79 -0.16 -3.48 1.01 -0.86 -1.33 121.20 118.19 3k6q s ILE 133 Ca 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.97 3k6q s ILE 133 Cb 0.33 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 3k6q s ILE 133 CO 0.02 0.26 -0.14 -0.31 0.00 0.00 0.00 174.94 174.77 3k6q s TYR 134 N 1.68 2.80 -0.13 3.97 2.02 0.05 -4.98 117.35 122.76 3k6q s TYR 134 Ca 0.06 -1.05 -0.07 0.00 -0.37 0.00 0.00 57.07 55.65 3k6q s TYR 134 Cb -0.16 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3k6q s TYR 134 CO 0.07 -0.49 0.12 0.00 -1.57 0.00 0.00 175.55 173.68 3k6q s ALA 135 N 0.89 3.76 0.00 3.71 0.00 -1.26 -0.58 121.76 128.28 3k6q s ALA 135 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3k6q s ALA 135 Cb -0.15 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.04 3k6q s ALA 135 CO -0.01 0.54 0.00 0.39 0.00 0.00 0.00 175.76 176.68 3k6q n GLU 136 N 2.25 0.62 0.00 0.00 -0.58 -0.45 -4.96 120.64 117.52 3k6q n GLU 136 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 3k6q n GLU 136 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 3k6q n GLU 136 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93