#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6q s THR 3 N 0.00 1.50 -0.12 5.09 -4.23 -1.26 -4.16 115.64 112.46 3k6q s THR 3 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3k6q s THR 3 Cb 0.00 -1.42 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 3k6q s THR 3 CO 0.00 -0.16 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.16 3k6q s ILE 4 N -1.33 3.00 0.39 2.99 1.01 -0.60 -4.93 121.20 121.73 3k6q s ILE 4 Ca 0.05 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 3k6q s ILE 4 Cb -0.09 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.03 3k6q s ILE 4 CO 0.04 0.53 1.39 0.20 0.00 0.00 0.00 174.94 177.10 3k6q s ASN 5 N 0.25 6.35 0.35 3.58 0.01 -1.26 -1.59 114.94 122.64 3k6q s ASN 5 Ca -0.09 2.85 0.08 0.00 -0.71 0.00 0.00 52.86 54.98 3k6q s ASN 5 Cb -0.16 -2.65 0.79 0.00 0.41 0.00 0.00 41.25 39.64 3k6q s ASN 5 CO 0.05 -0.84 1.88 0.00 -1.51 0.00 0.00 177.10 176.68 3k6q h ALA 6 N 2.89 1.79 -0.76 0.60 0.00 -1.55 -1.33 119.26 120.91 3k6q h ALA 6 Ca -0.50 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3k6q h ALA 6 Cb 1.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3k6q h ALA 6 CO 0.63 -0.02 0.43 1.15 0.00 0.00 0.00 179.25 181.45 3k6q h THR 7 N 0.72 1.22 -0.16 0.00 2.02 -1.90 0.77 112.91 115.59 3k6q h THR 7 Ca 0.44 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 3k6q h THR 7 Cb 0.65 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3k6q h THR 7 CO -0.20 0.24 -0.24 -0.08 0.37 0.00 0.00 175.52 175.62 3k6q h GLU 8 N 1.05 0.28 0.18 6.66 4.57 -1.63 -0.95 114.58 124.74 3k6q h GLU 8 Ca 0.27 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3k6q h GLU 8 Cb 0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3k6q h GLU 8 CO -0.05 0.51 -0.09 0.82 -1.18 0.00 0.00 179.01 179.03 3k6q h ILE 9 N 0.26 0.93 -0.40 2.32 1.08 -0.94 -2.91 117.51 117.84 3k6q h ILE 9 Ca 0.04 -0.73 0.07 0.00 -0.39 0.00 0.00 64.86 63.85 3k6q h ILE 9 Cb 0.57 1.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.61 3k6q h ILE 9 CO 0.04 0.16 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.57 3k6q h ARG 10 N -0.62 0.10 0.00 2.37 2.43 -0.56 -0.52 114.38 117.59 3k6q h ARG 10 Ca -0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3k6q h ARG 10 Cb 0.45 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3k6q h ARG 10 CO 0.04 0.06 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.60 3k6q h ASN 11 N 0.10 0.00 -0.84 -3.80 2.35 -1.27 -3.17 115.58 108.94 3k6q h ASN 11 Ca 0.19 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.54 3k6q h ASN 11 Cb 0.28 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.24 3k6q h ASN 11 CO -0.33 0.06 -1.01 0.59 -1.65 0.00 0.00 177.43 175.09 3k6q n ASN 12 N -3.40 2.83 -0.23 5.81 3.02 -0.34 -4.94 115.26 118.00 3k6q n ASN 12 Ca -0.02 -2.88 -0.06 0.00 -0.03 0.00 0.00 54.58 51.59 3k6q n ASN 12 Cb 0.20 -0.46 0.04 0.00 -0.61 0.00 0.00 39.78 38.96 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 2.61 0.88 -0.58 3.10 3.57 -1.17 -1.80 116.94 123.55 3k6q h PHE 13 Ca 0.06 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 3k6q h PHE 13 Cb 1.24 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3k6q h PHE 13 CO 0.63 0.61 0.07 1.03 -2.23 0.00 0.00 178.31 178.42 3k6q h SER 14 N 0.89 0.95 -0.77 0.41 0.87 -1.90 -1.22 113.55 112.78 3k6q h SER 14 Ca 0.23 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3k6q h SER 14 Cb 0.01 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.67 3k6q h SER 14 CO -0.04 0.99 0.51 0.22 -0.53 0.00 0.00 176.83 177.97 3k6q h TYR 15 N 0.88 0.95 0.01 2.24 3.20 -1.80 -1.62 116.97 120.84 3k6q h TYR 15 Ca 0.17 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.85 3k6q h TYR 15 Cb 0.46 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 3k6q h TYR 15 CO 0.03 0.59 -0.94 1.88 -1.64 0.00 0.00 178.16 178.08 3k6q h TYR 16 N 1.02 0.50 -0.13 -3.82 0.05 -1.05 -0.54 116.97 113.00 3k6q h TYR 16 Ca 0.29 -0.28 0.03 0.00 0.05 0.00 0.00 58.73 58.82 3k6q h TYR 16 Cb -0.08 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 3k6q h TYR 16 CO -0.02 1.10 -0.04 0.82 -1.05 0.00 0.00 178.16 178.97 3k6q h ILE 17 N 0.18 0.86 -0.24 -2.88 2.04 -1.13 0.24 117.51 116.58 3k6q h ILE 17 Ca -0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3k6q h ILE 17 Cb 1.58 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.44 3k6q h ILE 17 CO 0.16 0.00 -0.31 -0.78 0.00 0.00 0.00 178.15 177.21 3k6q h ASP 18 N -0.01 -1.00 -0.27 1.72 3.58 -1.17 0.82 116.42 120.09 3k6q h ASP 18 Ca 0.06 0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.74 3k6q h ASP 18 Cb 0.10 0.45 -0.07 0.00 1.72 0.00 0.00 39.33 41.53 3k6q h ASP 18 CO -0.13 -0.33 -0.23 0.74 -2.88 0.00 0.00 179.24 176.40 3k6q h THR 19 N -0.33 0.41 -0.39 2.25 2.02 -0.64 0.29 112.91 116.52 3k6q h THR 19 Ca 0.13 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 3k6q h THR 19 Cb 0.53 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3k6q h THR 19 CO -0.42 0.00 -0.19 0.58 0.37 0.00 0.00 175.52 175.86 3k6q h VAL 20 N -0.22 1.27 -0.28 3.16 2.07 -0.20 0.80 116.25 122.85 3k6q h VAL 20 Ca 0.15 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3k6q h VAL 20 Cb 0.44 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3k6q h VAL 20 CO -0.40 0.43 -0.11 0.58 0.02 0.00 0.00 177.57 178.09 3k6q h VAL 21 N 0.66 1.29 0.00 2.57 2.07 -0.53 -3.30 116.25 119.02 3k6q h VAL 21 Ca 0.10 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 3k6q h VAL 21 Cb 0.68 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3k6q h VAL 21 CO 0.05 0.37 -0.60 0.03 0.02 0.00 0.00 177.57 177.44 3k6q h ARG 22 N 0.31 0.00 0.00 1.57 3.08 -0.29 -3.47 114.38 115.58 3k6q h ARG 22 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3k6q h ARG 22 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3k6q h ARG 22 CO 0.04 0.56 0.00 -0.25 -1.07 0.00 0.00 179.97 179.24 3k6q n ASP 23 N -3.23 0.00 -4.87 7.04 8.00 0.26 -5.06 116.55 118.69 3k6q n ASP 23 Ca 0.01 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.21 3k6q n ASP 23 Cb 0.77 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.83 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 4.00 3.82 0.75 -1.24 -2.85 -1.24 -4.80 119.74 118.17 3k6q s LYS 24 Ca 0.00 0.47 -0.14 0.00 -1.00 0.00 0.00 55.97 55.30 3k6q s LYS 24 Cb 0.00 -2.43 0.05 0.00 -2.06 0.00 0.00 37.83 33.39 3k6q s LYS 24 CO 0.00 0.04 1.17 -2.14 0.10 0.00 0.00 175.35 174.53 3k6q s PRO 25 N -3.58 2.07 0.10 1.78 0.02 -1.26 -4.22 135.00 129.91 3k6q s PRO 25 Ca 0.51 1.62 0.06 0.00 0.02 0.00 0.00 61.00 63.21 3k6q s PRO 25 Cb -0.10 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 3k6q s PRO 25 CO 0.28 -1.86 -0.14 0.96 -0.33 0.00 0.00 177.00 175.91 3k6q s ILE 26 N -2.22 1.24 -0.16 2.83 -4.36 -0.83 -4.98 121.20 112.72 3k6q s ILE 26 Ca 0.71 -1.55 -0.05 0.00 -0.26 0.00 0.00 60.65 59.49 3k6q s ILE 26 Cb -0.26 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 3k6q s ILE 26 CO 0.48 -0.33 0.02 0.00 0.24 0.00 0.00 174.94 175.34 3k6q s ALA 27 N -1.78 3.25 -0.10 2.27 0.00 -1.26 -0.78 121.76 123.36 3k6q s ALA 27 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3k6q s ALA 27 Cb -0.07 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 3k6q s ALA 27 CO 0.03 0.24 -0.10 0.08 0.00 0.00 0.00 175.76 176.01 3k6q s VAL 28 N 0.22 3.40 -0.22 0.00 1.01 0.84 -1.55 120.40 124.10 3k6q s VAL 28 Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3k6q s VAL 28 Cb -0.13 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3k6q s VAL 28 CO 0.01 0.55 -0.03 -0.75 0.00 0.00 0.00 175.10 174.89 3k6q s LYS 29 N -0.22 3.43 -0.32 2.72 2.20 -0.62 -1.09 119.74 125.84 3k6q s LYS 29 Ca 0.02 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 3k6q s LYS 29 Cb -0.13 -3.03 0.09 0.00 -1.51 0.00 0.00 37.83 33.25 3k6q s LYS 29 CO 0.03 -0.16 0.00 0.50 -0.36 0.00 0.00 175.35 175.36 3k6q s ARG 30 N 1.40 1.78 1.55 4.03 3.00 0.10 -1.28 118.95 129.53 3k6q s ARG 30 Ca 0.05 -1.69 0.00 0.00 -1.00 0.00 0.00 55.73 53.09 3k6q s ARG 30 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 34.95 31.69 3k6q s ARG 30 CO -0.02 -0.82 0.00 -1.71 0.00 0.00 0.00 175.30 172.76 3k6q n ASN 31 N 4.34 0.00 -1.02 -2.12 5.15 -1.26 -0.59 115.26 119.75 3k6q n ASN 31 Ca -0.03 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.07 3k6q n ASN 31 Cb 0.42 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.90 3k6q n ASN 31 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k6q n ARG 32 N 0.00 2.35 -4.14 1.20 3.00 -1.26 -4.95 116.66 112.87 3k6q n ARG 32 Ca 0.00 -2.03 -0.33 0.00 -0.01 0.00 0.00 57.85 55.48 3k6q n ARG 32 Cb 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 32.46 30.90 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 -1.60 5.61 -0.06 0.55 1.01 0.24 -5.11 116.67 117.31 3k6q s ASP 33 Ca 0.36 0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.81 3k6q s ASP 33 Cb 0.22 -1.61 -0.00 0.00 1.01 0.00 0.00 42.92 42.54 3k6q s ASP 33 CO 0.31 0.29 -0.20 -0.69 0.21 0.00 0.00 175.17 175.09 3k6q s VAL 34 N -1.14 1.68 0.17 -1.27 1.01 -1.26 -0.72 120.40 118.87 3k6q s VAL 34 Ca 0.21 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3k6q s VAL 34 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3k6q s VAL 34 CO 0.12 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.77 3k6q s LEU 35 N 0.16 2.48 -0.05 3.92 1.02 -0.25 -4.97 118.68 120.99 3k6q s LEU 35 Ca -0.09 -0.91 0.05 0.00 0.02 0.00 0.00 54.13 53.20 3k6q s LEU 35 Cb -0.14 -0.73 -0.00 0.00 0.02 0.00 0.00 46.19 45.33 3k6q s LEU 35 CO 0.04 -0.10 -0.19 -0.76 0.02 0.00 0.00 176.35 175.37 3k6q s LEU 36 N -2.87 1.94 -0.15 1.79 1.43 -1.26 -0.11 118.68 119.46 3k6q s LEU 36 Ca 0.17 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3k6q s LEU 36 Cb -0.04 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 3k6q s LEU 36 CO 0.06 0.17 -0.15 -0.36 0.23 0.00 0.00 176.35 176.30 3k6q s PHE 37 N 0.02 2.78 0.07 0.29 0.08 0.04 -5.00 117.98 116.27 3k6q s PHE 37 Ca -0.04 -0.92 0.06 0.00 0.12 0.00 0.00 56.93 56.15 3k6q s PHE 37 Cb -0.12 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3k6q s PHE 37 CO 0.03 -0.40 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.53 3k6q s PHE 38 N 0.68 1.40 0.52 0.36 0.40 -1.26 -1.96 117.98 118.11 3k6q s PHE 38 Ca -0.07 -0.43 -0.22 0.00 -0.60 0.00 0.00 56.93 55.61 3k6q s PHE 38 Cb -0.16 -0.79 -0.06 0.00 0.51 0.00 0.00 43.02 42.53 3k6q s PHE 38 CO 0.02 0.10 1.25 -1.54 0.70 0.00 0.00 175.22 175.74 3k6q s SER 39 N -1.67 5.65 0.28 1.36 1.04 -1.24 -4.93 113.70 114.19 3k6q s SER 39 Ca 0.01 2.49 0.02 0.00 0.48 0.00 0.00 55.95 58.96 3k6q s SER 39 Cb -0.10 -2.61 0.63 0.00 0.10 0.00 0.00 66.02 64.04 3k6q s SER 39 CO 0.03 -1.29 1.77 -0.08 0.98 0.00 0.00 173.24 174.64 3k6q h GLU 40 N 1.61 0.66 -0.68 4.02 4.81 -1.96 -2.43 114.58 120.60 3k6q h GLU 40 Ca -0.50 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 3k6q h GLU 40 Cb 1.28 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3k6q h GLU 40 CO 0.58 0.43 0.29 0.37 -0.73 0.00 0.00 179.01 179.95 3k6q h GLN 41 N 0.68 1.01 -0.38 1.92 5.75 -1.98 0.47 115.11 122.58 3k6q h GLN 41 Ca 0.52 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.86 3k6q h GLN 41 Cb 0.77 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 3k6q h GLN 41 CO -0.38 0.83 0.22 0.82 -2.65 0.00 0.00 178.83 177.67 3k6q h ILE 42 N 0.97 1.03 -0.49 2.39 2.04 -1.82 0.33 117.51 121.95 3k6q h ILE 42 Ca 0.23 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 3k6q h ILE 42 Cb 0.19 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3k6q h ILE 42 CO -0.02 0.08 -0.01 0.40 0.00 0.00 0.00 178.15 178.60 3k6q h ILE 43 N 0.44 1.26 -0.33 -0.67 1.08 -1.42 -0.39 117.51 117.48 3k6q h ILE 43 Ca 0.15 -1.08 0.06 0.00 -0.39 0.00 0.00 64.86 63.60 3k6q h ILE 43 Cb 0.02 1.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 3k6q h ILE 43 CO -0.08 0.38 -0.03 0.11 -0.69 0.00 0.00 178.15 177.83 3k6q h LYS 44 N 0.72 0.05 -0.88 2.37 1.57 -0.56 -2.03 116.57 117.82 3k6q h LYS 44 Ca 0.14 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3k6q h LYS 44 Cb 0.52 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3k6q h LYS 44 CO 0.03 0.03 0.50 -0.44 -0.57 0.00 0.00 179.45 179.00 3k6q h ASP 45 N 0.05 1.08 -0.16 0.86 3.32 -0.83 -2.53 116.42 118.22 3k6q h ASP 45 Ca 0.16 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3k6q h ASP 45 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3k6q h ASP 45 CO -0.30 0.85 0.08 0.25 -1.72 0.00 0.00 179.24 178.41 3k6q h LEU 46 N 1.22 0.22 -1.61 1.55 6.46 -0.39 -2.03 115.31 120.75 3k6q h LEU 46 Ca 0.31 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 3k6q h LEU 46 Cb -0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3k6q h LEU 46 CO -0.05 0.20 0.00 0.18 -0.62 0.00 0.00 178.44 178.15 3k6q n LEU 47 N -4.47 2.36 -0.30 2.25 4.77 -0.85 -4.55 117.00 116.22 3k6q n LEU 47 Ca -0.00 -1.12 0.08 0.00 -0.03 0.00 0.00 56.01 54.94 3k6q n LEU 47 Cb 0.11 -0.25 0.24 0.00 -2.33 0.00 0.00 43.42 41.19 3k6q n LEU 47 CO 0.35 0.56 1.09 -0.61 -1.33 0.00 0.00 177.39 177.45 3k6q h GLN 48 N 2.77 0.57 0.00 3.23 5.75 -1.23 -2.34 115.11 123.86 3k6q h GLN 48 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3k6q h GLN 48 Cb 0.62 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3k6q h GLN 48 CO 0.00 0.38 0.00 -0.44 -2.65 0.00 0.00 178.83 176.12 3k6q h ASP 49 N 0.59 0.00 -2.66 -0.69 3.32 -1.83 -3.45 116.42 111.70 3k6q h ASP 49 Ca 0.48 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.98 3k6q h ASP 49 Cb 0.72 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3k6q h ASP 49 CO -0.39 0.00 1.04 -0.76 -1.72 0.00 0.00 179.24 177.42 3k6q s LEU 50 N -5.58 4.33 0.10 1.55 1.43 -0.88 -5.00 118.68 114.61 3k6q s LEU 50 Ca 0.07 2.27 0.09 0.00 -1.03 0.00 0.00 54.13 55.53 3k6q s LEU 50 Cb 0.08 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 3k6q s LEU 50 CO 0.61 -0.90 -0.19 -0.54 0.23 0.00 0.00 176.35 175.56 3k6q s LYS 51 N 3.60 1.81 -0.22 1.70 -0.14 -1.26 -4.99 119.74 120.24 3k6q s LYS 51 Ca 0.72 -1.15 -0.06 0.00 -1.36 0.00 0.00 55.97 54.13 3k6q s LYS 51 Cb -0.34 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 3k6q s LYS 51 CO 0.30 0.49 0.03 0.42 -0.76 0.00 0.00 175.35 175.83 3k6q s ILE 52 N -1.07 4.15 -0.23 2.17 1.01 0.09 -4.98 121.20 122.34 3k6q s ILE 52 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 3k6q s ILE 52 Cb -0.10 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3k6q s ILE 52 CO 0.08 0.39 0.20 -1.00 0.00 0.00 0.00 174.94 174.62 3k6q s HIS 53 N 1.24 3.34 0.15 3.97 3.76 -1.26 0.54 115.29 127.02 3k6q s HIS 53 Ca 0.04 0.31 0.11 0.00 -0.15 0.00 0.00 55.06 55.37 3k6q s HIS 53 Cb -0.15 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 3k6q s HIS 53 CO 0.02 0.08 -0.24 0.00 -0.85 0.00 0.00 174.74 173.75 3k6q s ALA 54 N 1.02 2.49 -0.08 -1.40 0.00 0.34 -4.66 121.76 119.47 3k6q s ALA 54 Ca 0.10 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.56 3k6q s ALA 54 Cb -0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3k6q s ALA 54 CO 0.04 0.50 -0.15 -1.21 0.00 0.00 0.00 175.76 174.94 3k6q s GLU 55 N -2.33 2.89 -0.08 0.00 2.02 -0.22 0.15 118.70 121.13 3k6q s GLU 55 Ca 0.17 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.48 3k6q s GLU 55 Cb -0.09 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.68 3k6q s GLU 55 CO 0.08 0.41 -0.20 -0.51 0.02 0.00 0.00 175.26 175.06 3k6q s LEU 56 N -0.19 1.96 -0.09 1.80 1.02 -0.03 -0.78 118.68 122.37 3k6q s LEU 56 Ca -0.00 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 53.71 3k6q s LEU 56 Cb -0.13 -1.21 0.01 0.00 0.02 0.00 0.00 46.19 44.88 3k6q s LEU 56 CO 0.03 0.14 -0.16 -0.55 0.02 0.00 0.00 176.35 175.84 3k6q s SER 57 N 0.29 2.35 -0.20 2.29 0.15 -0.11 -0.49 113.70 117.99 3k6q s SER 57 Ca -0.13 -0.41 -0.07 0.00 0.70 0.00 0.00 55.95 56.03 3k6q s SER 57 Cb -0.16 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 3k6q s SER 57 CO 0.06 0.04 0.07 -0.75 1.20 0.00 0.00 173.24 173.86 3k6q s LYS 58 N 0.80 3.89 -0.09 5.44 2.47 -1.26 -1.07 119.74 129.92 3k6q s LYS 58 Ca -0.11 -0.38 -0.03 0.00 -1.56 0.00 0.00 55.97 53.89 3k6q s LYS 58 Cb -0.16 -3.26 0.05 0.00 -1.46 0.00 0.00 37.83 33.00 3k6q s LYS 58 CO 0.02 0.14 0.17 -1.83 0.16 0.00 0.00 175.35 174.00 3k6q s GLU 59 N 0.74 0.06 -0.47 4.03 1.03 -0.49 -5.01 118.70 118.59 3k6q s GLU 59 Ca 0.04 0.55 -0.11 0.00 0.03 0.00 0.00 54.97 55.47 3k6q s GLU 59 Cb -0.13 -0.23 0.02 0.00 -0.80 0.00 0.00 34.13 32.98 3k6q s GLU 59 CO 0.02 -0.28 0.43 -0.25 -1.33 0.00 0.00 175.26 173.85 3k6q n ASP 60 N 5.11 -3.47 0.00 0.83 8.00 -1.26 -1.85 116.55 123.91 3k6q n ASP 60 Ca -0.09 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.95 3k6q n ASP 60 Cb 0.50 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 3k6q n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k6q n GLY 61 N -0.83 2.00 3.29 0.44 0.00 -1.26 -4.95 105.19 103.88 3k6q n GLY 61 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.69 2.24 -0.13 -0.61 -1.09 -0.77 -4.46 121.20 113.68 3k6q s ILE 62 Ca 0.00 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.44 3k6q s ILE 62 Cb 0.00 -1.83 -0.00 0.00 -1.58 0.00 0.00 42.46 39.05 3k6q s ILE 62 CO 0.00 0.57 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.46 3k6q s ILE 63 N -0.12 2.45 -0.20 2.92 1.01 0.43 -1.40 121.20 126.29 3k6q s ILE 63 Ca -0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 3k6q s ILE 63 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 3k6q s ILE 63 CO 0.04 0.54 0.21 -0.63 0.00 0.00 0.00 174.94 175.09 3k6q s ILE 64 N 0.62 5.35 -0.08 2.92 -1.09 -0.24 -1.43 121.20 127.25 3k6q s ILE 64 Ca -0.10 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3k6q s ILE 64 Cb -0.16 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3k6q s ILE 64 CO 0.03 0.38 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.13 3k6q s GLY 65 N 0.69 1.51 0.06 6.18 0.00 -0.49 -0.94 107.32 114.34 3k6q s GLY 65 Ca 0.11 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.92 3k6q s GLY 65 CO 0.02 -0.54 -0.11 -0.51 0.00 0.00 0.00 173.10 171.97 3k6q s THR 66 N -0.26 0.88 -0.47 0.90 -4.23 0.04 -1.31 115.64 111.19 3k6q s THR 66 Ca 0.01 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.29 3k6q s THR 66 Cb -0.13 -0.94 0.14 0.00 1.34 0.00 0.00 72.50 72.91 3k6q s THR 66 CO 0.03 -0.32 0.27 -0.63 -0.54 0.00 0.00 174.62 173.43 3k6q s ILE 67 N -1.46 1.68 0.29 2.99 1.01 -0.57 -1.06 121.20 124.08 3k6q s ILE 67 Ca -0.04 -2.84 0.01 0.00 0.00 0.00 0.00 60.65 57.78 3k6q s ILE 67 Cb -0.09 -2.16 0.13 0.00 0.01 0.00 0.00 42.46 40.35 3k6q s ILE 67 CO 0.01 -0.91 1.80 0.44 0.00 0.00 0.00 174.94 176.29 3k6q h ASP 68 N 6.51 0.65 -0.06 3.58 3.32 -1.86 -1.99 116.42 126.57 3k6q h ASP 68 Ca 0.01 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3k6q h ASP 68 Cb 0.90 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3k6q h ASP 68 CO 0.53 0.72 0.06 1.23 -1.72 0.00 0.00 179.24 180.07 3k6q h GLY 69 N 0.93 0.00 -2.08 2.75 0.00 -1.94 -1.67 103.07 101.06 3k6q h GLY 69 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3k6q h GLY 69 CO 0.02 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.25 3k6q n PHE 70 N -3.90 0.39 -3.21 5.60 3.72 -0.77 -4.98 117.46 114.32 3k6q n PHE 70 Ca -0.02 -0.21 -0.23 0.00 -0.05 0.00 0.00 57.45 56.94 3k6q n PHE 70 Cb 0.16 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 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 1.35 -4.90 -4.68 4.37 2.03 -0.63 -4.99 116.55 109.09 3k6q n ASP 71 Ca 0.17 -0.34 -0.35 0.00 0.52 0.00 0.00 54.79 54.79 3k6q n ASP 71 Cb 0.57 -4.00 -0.09 0.00 -0.72 0.00 0.00 41.12 36.88 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 -6.60 3.91 -0.16 -2.67 1.43 -1.09 -5.02 118.68 108.47 3k6q s LEU 72 Ca 0.36 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.53 3k6q s LEU 72 Cb -0.18 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.13 3k6q s LEU 72 CO 0.44 0.23 0.38 0.54 0.23 0.00 0.00 176.35 178.17 3k6q s VAL 73 N 0.03 -0.03 0.20 -1.59 0.11 -1.26 -1.51 120.40 116.36 3k6q s VAL 73 Ca 0.06 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 3k6q s VAL 73 Cb -0.12 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 3k6q s VAL 73 CO 0.01 0.04 0.07 0.68 -3.33 0.00 0.00 175.10 172.57 3k6q s VAL 74 N 1.31 0.40 0.08 2.04 -7.23 -0.43 -5.00 120.40 111.57 3k6q s VAL 74 Ca -0.09 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.16 3k6q s VAL 74 Cb -0.08 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3k6q s VAL 74 CO -0.11 -0.19 -0.17 -0.55 -0.31 0.00 0.00 175.10 173.76 3k6q s SER 75 N -3.21 2.06 0.31 4.85 0.15 -1.26 -1.40 113.70 115.21 3k6q s SER 75 Ca 0.32 -0.62 -0.18 0.00 0.70 0.00 0.00 55.95 56.17 3k6q s SER 75 Cb 0.07 -0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.34 3k6q s SER 75 CO 0.09 0.01 0.86 -0.83 1.20 0.00 0.00 173.24 174.56 3k6q s GLY 76 N -1.69 0.22 0.00 9.45 0.00 -0.51 -4.81 107.32 109.98 3k6q s GLY 76 Ca 0.02 -0.54 0.20 0.00 0.00 0.00 0.00 44.72 44.40 3k6q s GLY 76 CO 0.03 0.42 0.90 1.18 0.00 0.00 0.00 173.10 175.63 3k6q n GLU 77 N -0.56 1.00 -4.11 2.90 1.02 -1.26 -0.43 120.64 119.19 3k6q n GLU 77 Ca -0.06 -0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 56.56 3k6q n GLU 77 Cb 0.60 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.57 0.55 0.25 1.62 1.04 -1.26 -4.82 113.70 108.50 3k6q s SER 78 Ca 0.12 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 3k6q s SER 78 Cb 0.15 0.20 0.46 0.00 0.10 0.00 0.00 66.02 66.94 3k6q s SER 78 CO 0.66 -0.61 1.74 -0.08 0.98 0.00 0.00 173.24 175.94 3k6q h GLU 79 N 3.07 0.50 0.00 4.02 4.81 -1.97 -1.99 114.58 123.01 3k6q h GLU 79 Ca -0.34 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 58.68 3k6q h GLU 79 Cb 1.15 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3k6q h GLU 79 CO 0.65 0.33 -0.83 1.96 -0.73 0.00 0.00 179.01 180.38 3k6q h GLN 80 N 0.51 0.07 -0.23 1.92 1.08 -1.99 -1.45 115.11 115.02 3k6q h GLN 80 Ca 0.42 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 3k6q h GLN 80 Cb 0.60 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 3k6q h GLN 80 CO -0.37 0.86 0.07 1.49 -0.95 0.00 0.00 178.83 179.93 3k6q h GLU 81 N 0.04 0.37 -0.60 1.46 4.81 -1.90 -2.02 114.58 116.74 3k6q h GLU 81 Ca -0.02 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3k6q h GLU 81 Cb 1.46 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.73 3k6q h GLU 81 CO 0.12 0.46 0.30 0.28 -0.73 0.00 0.00 179.01 179.43 3k6q h VAL 82 N 0.21 0.91 -0.65 0.32 2.07 -1.07 -1.64 116.25 116.39 3k6q h VAL 82 Ca 0.07 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3k6q h VAL 82 Cb 0.25 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3k6q h VAL 82 CO -0.00 0.10 0.08 0.40 0.02 0.00 0.00 177.57 178.17 3k6q h ILE 83 N 0.55 1.26 -0.43 4.57 2.04 -1.17 -0.72 117.51 123.62 3k6q h ILE 83 Ca 0.28 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.11 3k6q h ILE 83 Cb 0.22 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3k6q h ILE 83 CO -0.21 0.40 0.21 -0.61 0.00 0.00 0.00 178.15 177.94 3k6q h GLN 84 N 1.01 0.40 -0.24 2.37 5.75 -1.12 0.34 115.11 123.62 3k6q h GLN 84 Ca 0.20 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.53 3k6q h GLN 84 Cb 0.47 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 3k6q h GLN 84 CO 0.02 0.27 -0.42 0.87 -2.65 0.00 0.00 178.83 176.92 3k6q h LYS 85 N 0.42 0.58 -0.60 1.69 1.57 -0.96 -1.61 116.57 117.66 3k6q h LYS 85 Ca 0.19 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3k6q h LYS 85 Cb 0.10 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3k6q h LYS 85 CO -0.14 0.89 0.33 -0.07 -0.57 0.00 0.00 179.45 179.90 3k6q h LEU 86 N 0.48 0.74 -0.61 2.94 3.38 -0.92 -1.21 115.31 120.11 3k6q h LEU 86 Ca 0.04 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3k6q h LEU 86 Cb 0.92 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3k6q h LEU 86 CO 0.08 0.61 0.15 0.00 0.09 0.00 0.00 178.44 179.37 3k6q h ALA 87 N 1.16 0.80 -0.57 1.53 0.00 -0.60 0.12 119.26 121.71 3k6q h ALA 87 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k6q h ALA 87 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3k6q h ALA 87 CO -0.04 0.51 0.36 0.93 0.00 0.00 0.00 179.25 181.02 3k6q h GLU 88 N 0.88 0.75 -0.09 0.00 5.08 -1.15 -1.26 114.58 118.79 3k6q h GLU 88 Ca 0.19 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 3k6q h GLU 88 Cb 0.35 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3k6q h GLU 88 CO 0.00 0.52 -0.66 -0.44 -1.00 0.00 0.00 179.01 177.42 3k6q h ASP 89 N 0.77 0.43 -0.35 1.42 3.32 -0.83 -1.49 116.42 119.69 3k6q h ASP 89 Ca 0.21 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3k6q h ASP 89 Cb -0.06 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3k6q h ASP 89 CO -0.04 0.97 0.19 -0.07 -1.72 0.00 0.00 179.24 178.58 3k6q h LEU 90 N 0.27 0.30 -0.34 1.55 3.38 -0.66 0.64 115.31 120.45 3k6q h LEU 90 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3k6q h LEU 90 Cb 1.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3k6q h LEU 90 CO 0.11 0.22 0.14 0.25 0.09 0.00 0.00 178.44 179.25 3k6q h LEU 91 N 0.40 0.46 -0.26 1.67 5.85 -0.95 -0.05 115.31 122.42 3k6q h LEU 91 Ca 0.14 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3k6q h LEU 91 Cb 0.03 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3k6q h LEU 91 CO -0.08 0.49 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.32 3k6q h GLU 92 N 0.40 -0.06 -0.62 1.25 4.81 -1.19 -1.27 114.58 117.90 3k6q h GLU 92 Ca 0.11 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3k6q h GLU 92 Cb 0.17 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3k6q h GLU 92 CO -0.01 -0.04 0.28 -0.92 -0.73 0.00 0.00 179.01 177.59 3k6q h TYR 93 N -0.06 0.50 -0.55 0.92 3.20 -0.55 -0.22 116.97 120.20 3k6q h TYR 93 Ca 0.14 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3k6q h TYR 93 Cb 0.27 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3k6q h TYR 93 CO -0.30 0.19 0.34 0.00 -1.64 0.00 0.00 178.16 176.75 3k6q h ALA 94 N 1.38 0.70 -0.30 1.82 0.00 -0.72 0.10 119.26 122.25 3k6q h ALA 94 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k6q h ALA 94 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k6q h ALA 94 CO -0.25 0.18 0.19 1.96 0.00 0.00 0.00 179.25 181.33 3k6q h GLN 95 N 0.75 0.39 -0.52 0.00 4.20 -0.78 -2.88 115.11 116.27 3k6q h GLN 95 Ca 0.20 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3k6q h GLN 95 Cb -0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3k6q h GLN 95 CO -0.04 0.28 0.04 -0.44 -0.67 0.00 0.00 178.83 178.00 3k6q h ASP 96 N 0.39 0.81 0.00 1.46 3.32 -0.54 -1.78 116.42 120.09 3k6q h ASP 96 Ca 0.11 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3k6q h ASP 96 Cb -0.02 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3k6q h ASP 96 CO -0.02 0.85 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 3k6q n TYR 97 N -4.22 0.00 0.00 4.55 4.19 0.32 -2.51 117.16 119.48 3k6q n TYR 97 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 3k6q n TYR 97 Cb 0.29 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.12 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 0.23 0.00 -3.20 2.98 3.02 -0.67 -2.26 115.26 115.36 3k6q n ASN 99 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 3k6q n ASN 99 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3k6q n ASN 99 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3k6q n ASP 100 N 0.00 0.62 -0.11 6.41 -0.08 -1.04 -5.00 116.55 117.35 3k6q n ASP 100 Ca 0.00 -2.82 -0.07 0.00 -1.51 0.00 0.00 54.79 50.39 3k6q n ASP 100 Cb 0.00 -0.64 0.01 0.00 2.34 0.00 0.00 41.12 42.84 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 3.79 0.29 -0.66 -0.67 3.57 -1.74 -1.72 116.94 119.80 3k6q h PHE 101 Ca 0.09 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.70 3k6q h PHE 101 Cb 0.88 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 3k6q h PHE 101 CO 0.42 0.14 0.27 -0.22 -2.23 0.00 0.00 178.31 176.70 3k6q h LYS 102 N 0.33 0.45 0.22 1.11 1.63 -1.95 0.39 116.57 118.75 3k6q h LYS 102 Ca 0.16 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 3k6q h LYS 102 Cb 0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3k6q h LYS 102 CO -0.13 0.30 -0.10 1.25 -3.45 0.00 0.00 179.45 177.32 3k6q h LEU 103 N 0.47 -0.24 -0.20 5.20 5.85 -1.81 -3.20 115.31 121.37 3k6q h LEU 103 Ca 0.33 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3k6q h LEU 103 Cb 0.41 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3k6q h LEU 103 CO -0.31 0.10 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.36 3k6q h PHE 104 N -0.62 0.66 0.00 1.25 -1.00 -1.05 -2.51 116.94 113.68 3k6q h PHE 104 Ca -0.03 -0.22 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 3k6q h PHE 104 Cb 0.45 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 3k6q h PHE 104 CO 0.03 0.92 -0.10 -0.92 -1.61 0.00 0.00 178.31 176.63 3k6q h TYR 105 N 0.21 0.00 -0.11 -0.55 3.20 -1.05 -2.40 116.97 116.27 3k6q h TYR 105 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3k6q h TYR 105 Cb 0.84 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3k6q h TYR 105 CO 0.08 0.10 0.00 0.09 -1.64 0.00 0.00 178.16 176.79 3k6q n ASN 106 N -4.38 2.98 -4.80 -2.11 3.02 -1.21 -3.06 115.26 105.70 3k6q n ASN 106 Ca -0.03 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.23 3k6q n ASN 106 Cb 0.17 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.89 2.72 0.05 5.41 0.00 -0.90 -4.90 121.76 122.25 3k6q s ALA 107 Ca 0.31 0.45 -0.33 0.00 0.00 0.00 0.00 51.96 52.39 3k6q s ALA 107 Cb 0.21 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.96 3k6q s ALA 107 CO 0.31 -0.82 1.78 -2.30 0.00 0.00 0.00 175.76 174.72 3k6q n PRO 108 N -1.96 2.34 -1.34 0.00 -0.02 -1.26 -1.51 135.00 131.25 3k6q n PRO 108 Ca 0.09 0.85 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 3k6q n PRO 108 Cb 0.53 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 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 5.38 -5.06 -0.00 2.55 3.02 -1.26 -4.87 115.26 115.02 3k6q n ASN 109 Ca 0.20 0.29 0.08 0.00 -0.03 0.00 0.00 54.58 55.12 3k6q n ASN 109 Cb 0.32 -3.59 -0.11 0.00 -0.61 0.00 0.00 39.78 35.78 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 -1.80 1.10 -0.32 3.52 1.74 -0.57 -4.37 116.66 115.96 3k6q n ARG 110 Ca -0.12 -0.04 -0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3k6q n ARG 110 Cb 0.49 -1.34 0.13 0.00 -1.02 0.00 0.00 32.46 30.72 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 0.00 1.03 0.00 5.56 3.64 -1.71 -1.26 116.57 123.84 3k6q h LYS 111 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3k6q h LYS 111 Cb 0.50 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3k6q h LYS 111 CO 0.00 0.68 0.00 0.25 -2.27 0.00 0.00 179.45 178.11 3k6q n THR 112 N -4.56 0.84 0.23 1.00 -2.24 -1.26 -2.02 114.28 106.27 3k6q n THR 112 Ca 0.12 0.20 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 3k6q n THR 112 Cb 0.13 -0.97 0.49 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.48 4.78 3.86 -1.46 -3.38 115.15 118.48 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 0.32 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.74 3k6q h HIS 113 CO 0.00 0.17 0.17 -0.92 0.86 0.00 0.00 177.93 178.21 3k6q h TYR 114 N 0.00 0.31 -0.48 2.45 3.20 -1.50 -1.28 116.97 119.67 3k6q h TYR 114 Ca -0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.94 3k6q h TYR 114 Cb 0.71 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 3k6q h TYR 114 CO 0.00 0.10 0.32 -1.35 -1.64 0.00 0.00 178.16 175.60 3k6q h PRO 115 N 0.35 0.43 -0.17 1.82 0.11 -1.81 0.95 132.00 133.68 3k6q h PRO 115 Ca 0.23 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 3k6q h PRO 115 Cb 0.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3k6q h PRO 115 CO -0.23 0.29 -0.27 1.88 -0.21 0.00 0.00 178.00 179.46 3k6q h TYR 116 N 0.45 0.60 -0.02 0.65 0.05 -1.51 -1.61 116.97 115.57 3k6q h TYR 116 Ca 0.20 -0.20 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 3k6q h TYR 116 Cb 0.24 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3k6q h TYR 116 CO -0.00 0.90 -0.57 -0.84 -1.05 0.00 0.00 178.16 176.60 3k6q h ILE 117 N 0.12 1.40 -0.52 -2.88 -0.00 -1.00 -1.01 117.51 113.63 3k6q h ILE 117 Ca 0.01 -1.95 -0.02 0.00 -0.00 0.00 0.00 64.86 62.91 3k6q h ILE 117 Cb 0.85 2.03 -0.02 0.00 -0.00 0.00 0.00 36.82 39.67 3k6q h ILE 117 CO 0.06 0.56 0.25 0.25 -0.00 0.00 0.00 178.15 179.28 3k6q h LEU 118 N 0.05 0.68 -0.46 0.16 5.85 -0.75 -1.68 115.31 119.16 3k6q h LEU 118 Ca -0.00 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3k6q h LEU 118 Cb 1.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3k6q h LEU 118 CO 0.08 0.61 0.07 0.50 -0.34 0.00 0.00 178.44 179.36 3k6q h LYS 119 N 0.69 0.77 -0.79 1.25 3.64 -0.89 -2.08 116.57 119.16 3k6q h LYS 119 Ca 0.18 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3k6q h LYS 119 Cb 0.11 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3k6q h LYS 119 CO -0.02 0.79 0.50 0.28 -2.27 0.00 0.00 179.45 178.72 3k6q h VAL 120 N 0.63 1.10 -0.18 2.00 2.07 -1.04 -2.45 116.25 118.37 3k6q h VAL 120 Ca 0.14 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3k6q h VAL 120 Cb 0.40 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3k6q h VAL 120 CO 0.01 0.17 -0.30 -0.07 0.02 0.00 0.00 177.57 177.40 3k6q h LEU 121 N 0.96 0.36 -0.59 2.57 3.38 -0.91 -2.36 115.31 118.72 3k6q h LEU 121 Ca 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3k6q h LEU 121 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3k6q h LEU 121 CO -0.13 0.66 0.00 -0.07 0.09 0.00 0.00 178.44 178.99 3k6q h LEU 122 N 0.31 0.00-10.02 1.67 3.38 -1.00 -3.46 115.31 106.19 3k6q h LEU 122 Ca 0.04 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.45 3k6q h LEU 122 Cb 0.69 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.60 3k6q h LEU 122 CO 0.05 0.00 0.39 -1.20 0.09 0.00 0.00 178.44 177.78 3k6q n SER 123 N -2.76 1.68 0.10 -0.43 7.64 -0.89 -4.94 113.62 114.03 3k6q n SER 123 Ca 0.03 0.82 -0.16 0.00 1.01 0.00 0.00 58.87 60.58 3k6q n SER 123 Cb 0.38 -1.51 -0.14 0.00 -1.01 0.00 0.00 64.21 61.94 3k6q n SER 123 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3k6q h SER 124 N 0.53 0.41 -5.01 6.43 0.02 -1.89 -3.48 113.55 110.56 3k6q h SER 124 Ca -0.50 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.03 3k6q h SER 124 Cb 1.35 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3k6q h SER 124 CO 0.52 1.34 0.25 0.54 -1.14 0.00 0.00 176.83 178.34 3k6q s ASN 125 N -7.13 -0.11 0.34 3.07 2.20 -1.26 -5.05 114.94 107.00 3k6q s ASN 125 Ca -0.04 -0.91 0.03 0.00 -0.94 0.00 0.00 52.86 51.01 3k6q s ASN 125 Cb 0.07 0.79 0.60 0.00 -2.00 0.00 0.00 41.25 40.71 3k6q s ASN 125 CO 0.88 -1.53 1.90 0.40 -2.94 0.00 0.00 177.10 175.81 3k6q h ILE 126 N 2.00 1.19 -0.61 0.54 1.08 -1.97 -2.35 117.51 117.40 3k6q h ILE 126 Ca -0.26 -0.69 0.12 0.00 -0.39 0.00 0.00 64.86 63.64 3k6q h ILE 126 Cb 1.25 0.79 -0.09 0.00 -3.07 0.00 0.00 36.82 35.70 3k6q h ILE 126 CO 0.33 0.25 0.12 -0.78 -0.69 0.00 0.00 178.15 177.37 3k6q h ASP 127 N 0.59 -0.02 -0.35 1.72 1.82 -2.00 -0.54 116.42 117.65 3k6q h ASP 127 Ca 0.14 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 3k6q h ASP 127 Cb 0.25 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 3k6q h ASP 127 CO -0.00 -0.00 0.16 -0.08 -1.61 0.00 0.00 179.24 177.71 3k6q h GLU 128 N 0.25 0.51 -0.55 0.28 4.81 -1.84 -2.95 114.58 115.09 3k6q h GLU 128 Ca 0.32 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 3k6q h GLU 128 Cb 0.48 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 3k6q h GLU 128 CO -0.42 0.47 0.24 0.28 -0.73 0.00 0.00 179.01 178.85 3k6q h VAL 129 N 0.43 0.86 -0.98 0.32 2.07 -1.17 -1.80 116.25 115.98 3k6q h VAL 129 Ca 0.12 -0.15 0.23 0.00 0.82 0.00 0.00 66.70 67.72 3k6q h VAL 129 Cb 0.13 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 3k6q h VAL 129 CO -0.01 0.08 0.64 0.11 0.02 0.00 0.00 177.57 178.40 3k6q h LYS 130 N 0.45 0.42 0.00 1.57 1.57 -0.97 -1.94 116.57 117.67 3k6q h LYS 130 Ca 0.26 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3k6q h LYS 130 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3k6q h LYS 130 CO -0.23 0.28 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 3k6q n GLY 131 N -1.48 -1.23 0.41 3.86 0.00 -0.68 -2.59 105.19 103.48 3k6q n GLY 131 Ca 0.22 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.41 3k6q n GLY 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3k6q n TYR 132 N -2.21 0.13 -3.21 1.61 0.18 -0.73 -4.93 117.16 107.99 3k6q n TYR 132 Ca 0.02 -1.24 -0.40 0.00 1.88 0.00 0.00 57.90 58.16 3k6q n TYR 132 Cb 0.21 -0.22 -0.07 0.00 -0.38 0.00 0.00 39.34 38.88 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 -3.05 5.06 -0.28 -3.48 1.01 -1.07 -0.73 121.20 118.65 3k6q s ILE 133 Ca 0.36 0.96 -0.06 0.00 0.00 0.00 0.00 60.65 61.91 3k6q s ILE 133 Cb 0.33 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.95 3k6q s ILE 133 CO -0.01 0.09 0.05 -0.31 0.00 0.00 0.00 174.94 174.77 3k6q s TYR 134 N 2.21 3.13 -0.28 3.97 1.51 0.19 -4.95 117.35 123.12 3k6q s TYR 134 Ca 0.23 -1.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.15 3k6q s TYR 134 Cb -0.16 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 3k6q s TYR 134 CO 0.09 -0.59 0.16 0.00 -1.11 0.00 0.00 175.55 174.11 3k6q s ALA 135 N 1.48 3.44 0.30 3.71 0.00 -1.26 -0.50 121.76 128.92 3k6q s ALA 135 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3k6q s ALA 135 Cb -0.17 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3k6q s ALA 135 CO 0.01 -0.57 0.00 -1.91 0.00 0.00 0.00 175.76 173.29 3k6q n GLU 136 N 5.03 2.69 0.00 0.00 2.13 0.12 -4.95 120.64 125.66 3k6q n GLU 136 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 3k6q n GLU 136 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 3k6q n GLU 136 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05