#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6r n GLY 20 N 0.00 -0.87 3.50 3.03 0.00 0.93 -5.06 105.19 106.73 1k6r n GLY 20 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 1k6r n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k6r s SER 21 N -5.37 -0.44 -0.00 1.61 1.04 -1.15 -5.00 113.70 104.39 1k6r s SER 21 Ca -0.11 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1k6r s SER 21 Cb 0.06 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 1k6r s SER 21 CO 0.74 -0.64 -0.05 -0.51 0.98 0.00 0.00 173.24 173.76 1k6r s ILE 22 N -2.65 0.40 -0.05 -1.02 2.07 -1.26 0.92 121.20 119.61 1k6r s ILE 22 Ca 0.01 -0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.05 1k6r s ILE 22 Cb -0.01 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.24 1k6r s ILE 22 CO -0.06 0.10 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.03 1k6r s THR 23 N -0.15 1.26 0.00 4.00 2.01 0.02 -4.94 115.64 117.84 1k6r s THR 23 Ca 0.02 -0.60 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 1k6r s THR 23 Cb -0.02 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1k6r s THR 23 CO -0.00 0.37 0.76 -0.70 -0.69 0.00 0.00 174.62 174.36 1k6r s GLU 24 N 0.23 4.47 -0.38 4.92 2.12 -1.26 -1.19 118.70 127.62 1k6r s GLU 24 Ca -0.07 1.02 0.01 0.00 0.36 0.00 0.00 54.97 56.29 1k6r s GLU 24 Cb -0.12 -3.40 0.12 0.00 0.26 0.00 0.00 34.13 30.99 1k6r s GLU 24 CO 0.02 0.19 0.18 1.21 -0.54 0.00 0.00 175.26 176.32 1k6r s ASN 25 N 0.31 3.77 0.38 -1.70 3.04 0.31 -4.89 114.94 116.17 1k6r s ASN 25 Ca 0.39 -2.19 0.27 0.00 0.04 0.00 0.00 52.86 51.37 1k6r s ASN 25 Cb -0.20 -0.93 1.33 0.00 -1.54 0.00 0.00 41.25 39.91 1k6r s ASN 25 CO 0.22 -0.33 1.82 0.71 -3.04 0.00 0.00 177.10 176.48 1k6r h THR 26 N 5.75 0.00 -0.08 -5.21 1.35 -1.79 -3.06 112.91 109.88 1k6r h THR 26 Ca -0.05 -0.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.70 1k6r h THR 26 Cb 0.97 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1k6r h THR 26 CO 0.46 0.00 0.07 0.77 -0.25 0.00 0.00 175.52 176.57 1k6r h SER 27 N 0.00 0.00 0.73 5.36 4.64 -1.94 -0.59 113.55 121.75 1k6r h SER 27 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k6r h SER 27 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1k6r h SER 27 CO 0.00 0.00 -0.02 -0.50 -0.87 0.00 0.00 176.83 175.44 1k6r h TRP 28 N 0.00 0.00 0.00 4.77 6.55 -1.91 -2.69 115.95 122.67 1k6r h TRP 28 Ca 0.04 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.88 1k6r h TRP 28 Cb 0.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.47 1k6r h TRP 28 CO 0.00 0.02 0.27 -0.91 -1.05 0.00 0.00 178.44 176.77 1k6r h ASN 29 N 0.00 0.00 -0.11 -3.49 2.35 -1.34 -2.03 115.58 110.96 1k6r h ASN 29 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1k6r h ASN 29 Cb 0.39 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.70 1k6r h ASN 29 CO 0.00 0.00 -0.31 0.50 -1.65 0.00 0.00 177.43 175.97 1k6r h LYS 30 N 0.00 -0.38 0.00 0.81 3.64 -1.68 0.18 116.57 119.13 1k6r h LYS 30 Ca 0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1k6r h LYS 30 Cb 0.53 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1k6r h LYS 30 CO 0.00 -0.25 -0.01 0.93 -2.27 0.00 0.00 179.45 177.84 1k6r h GLU 31 N -0.40 0.00 0.14 1.90 4.39 -1.64 -1.86 114.58 117.12 1k6r h GLU 31 Ca 0.09 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.56 1k6r h GLU 31 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1k6r h GLU 31 CO -0.33 0.01 -1.09 0.74 -1.16 0.00 0.00 179.01 177.18 1k6r h PHE 32 N 0.00 0.53 -0.42 4.33 0.04 -1.17 -3.30 116.94 116.94 1k6r h PHE 32 Ca -0.00 -0.39 -0.12 0.00 2.80 0.00 0.00 57.97 60.26 1k6r h PHE 32 Cb 0.28 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1k6r h PHE 32 CO 0.00 1.42 -0.23 0.77 -0.60 0.00 0.00 178.31 179.67 1k6r h SER 33 N -0.32 0.89 -0.84 2.17 0.02 -0.51 0.19 113.55 115.15 1k6r h SER 33 Ca -0.21 -0.33 0.13 0.00 -0.84 0.00 0.00 61.79 60.54 1k6r h SER 33 Cb 1.72 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 63.93 1k6r h SER 33 CO 0.12 1.08 0.45 0.00 -1.14 0.00 0.00 176.83 177.34 1k6r h ALA 34 N 0.98 1.25 -0.12 3.77 0.00 -1.48 0.16 119.26 123.82 1k6r h ALA 34 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k6r h ALA 34 Cb 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1k6r h ALA 34 CO 0.06 -0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1k6r n GLU 35 N -4.84 2.04 -3.47 0.00 -0.58 -1.15 -4.96 120.64 107.69 1k6r n GLU 35 Ca 0.16 -1.54 -0.21 0.00 -0.42 0.00 0.00 57.16 55.15 1k6r n GLU 35 Cb 0.39 -1.46 0.04 0.00 -0.57 0.00 0.00 31.44 29.84 1k6r n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k6r n ALA 36 N 0.82 -2.56 -2.94 0.62 0.00 0.56 -4.99 120.51 112.01 1k6r n ALA 36 Ca 0.17 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 1k6r n ALA 36 Cb 0.47 -3.58 -0.15 0.00 0.00 0.00 0.00 19.45 16.19 1k6r n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k6r s VAL 37 N -3.30 0.72 -0.31 0.00 1.01 0.54 -5.01 120.40 114.05 1k6r s VAL 37 Ca 0.32 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1k6r s VAL 37 Cb -0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1k6r s VAL 37 CO 0.82 0.22 0.26 0.20 0.00 0.00 0.00 175.10 176.60 1k6r s ASN 38 N 0.09 6.09 0.08 3.32 0.01 -1.26 -4.55 114.94 118.72 1k6r s ASN 38 Ca -0.01 -0.13 -0.18 0.00 -0.71 0.00 0.00 52.86 51.83 1k6r s ASN 38 Cb -0.07 -2.15 0.06 0.00 0.41 0.00 0.00 41.25 39.50 1k6r s ASN 38 CO 0.00 -0.17 0.84 0.61 -1.51 0.00 0.00 177.10 176.87 1k6r n GLY 39 N 5.01 0.61 3.03 0.66 0.00 -1.26 -0.99 105.19 112.25 1k6r n GLY 39 Ca -0.12 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 1k6r n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6r s VAL 40 N -2.14 0.32 -0.06 1.61 0.11 0.22 -4.89 120.40 115.58 1k6r s VAL 40 Ca 0.19 -1.10 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 1k6r s VAL 40 Cb -0.02 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1k6r s VAL 40 CO 0.02 -0.51 -0.08 0.12 -3.33 0.00 0.00 175.10 171.32 1k6r s PHE 41 N -1.74 1.08 -0.15 1.54 5.36 -1.26 -2.08 117.98 120.72 1k6r s PHE 41 Ca -0.10 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1k6r s PHE 41 Cb -0.08 -0.86 0.01 0.00 -0.34 0.00 0.00 43.02 41.75 1k6r s PHE 41 CO -0.01 -0.24 -0.21 0.08 -1.46 0.00 0.00 175.22 173.38 1k6r s VAL 42 N 0.84 2.04 -0.13 3.12 1.01 0.46 -3.53 120.40 124.21 1k6r s VAL 42 Ca -0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1k6r s VAL 42 Cb -0.15 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1k6r s VAL 42 CO 0.01 0.54 -0.11 -0.22 0.00 0.00 0.00 175.10 175.33 1k6r s LEU 43 N 1.01 1.43 -0.06 3.92 2.96 -0.42 -1.12 118.68 126.41 1k6r s LEU 43 Ca -0.02 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1k6r s LEU 43 Cb -0.14 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1k6r s LEU 43 CO -0.06 -0.09 -0.21 0.00 -1.32 0.00 0.00 176.35 174.66 1k6r s LYS 45 N -0.25 4.07 0.21 0.00 2.20 -0.09 -1.61 119.74 124.28 1k6r s LYS 45 Ca -0.00 0.03 -0.09 0.00 -0.36 0.00 0.00 55.97 55.55 1k6r s LYS 45 Cb -0.13 -3.60 0.16 0.00 -1.51 0.00 0.00 37.83 32.75 1k6r s LYS 45 CO 0.03 -0.14 1.80 1.03 -0.36 0.00 0.00 175.35 177.71 1k6r h SER 46 N 7.81 1.03 0.55 1.43 0.87 -1.19 0.20 113.55 124.26 1k6r h SER 46 Ca -0.34 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 1k6r h SER 46 Cb 1.16 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1k6r h SER 46 CO 0.67 0.87 -0.27 0.77 -0.53 0.00 0.00 176.83 178.34 1k6r h SER 47 N 1.11 -0.63 0.65 6.23 4.64 -1.94 -2.77 113.55 120.85 1k6r h SER 47 Ca 0.27 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1k6r h SER 47 Cb 0.12 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1k6r h SER 47 CO -0.03 -0.45 -0.02 -1.54 -0.87 0.00 0.00 176.83 173.92 1k6r n SER 48 N -5.41 0.05 -1.53 4.97 3.41 -1.22 -4.90 113.62 108.99 1k6r n SER 48 Ca -0.12 -0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.31 1k6r n SER 48 Cb 0.31 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1k6r n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k6r n LYS 49 N -1.31 -1.40 -4.18 4.33 4.01 0.70 -4.87 118.16 115.44 1k6r n LYS 49 Ca 0.12 0.84 -0.30 0.00 -0.51 0.00 0.00 58.31 58.46 1k6r n LYS 49 Cb 0.27 -5.14 -0.09 0.00 -0.51 0.00 0.00 35.03 29.56 1k6r n LYS 49 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1k6r s SER 50 N -2.20 4.71 0.33 4.39 1.04 -1.14 -0.05 113.70 120.77 1k6r s SER 50 Ca 0.00 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.24 1k6r s SER 50 Cb 0.00 -1.01 -0.06 0.00 0.10 0.00 0.00 66.02 65.05 1k6r s SER 50 CO 0.00 0.18 -0.07 0.00 0.98 0.00 0.00 173.24 174.32 1k6r s ALA 52 N -2.56 0.26 0.00 0.00 0.00 0.43 -0.80 121.76 119.09 1k6r s ALA 52 Ca 0.33 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 1k6r s ALA 52 Cb 0.00 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1k6r s ALA 52 CO 0.17 -0.02 0.40 -0.08 0.00 0.00 0.00 175.76 176.23 1k6r s THR 53 N -0.72 0.05 -0.56 0.00 -1.32 -0.33 -1.30 115.64 111.45 1k6r s THR 53 Ca -0.06 -0.41 0.26 0.00 -1.21 0.00 0.00 61.69 60.26 1k6r s THR 53 Cb -0.05 -0.81 0.30 0.00 -1.51 0.00 0.00 72.50 70.43 1k6r s THR 53 CO -0.00 -0.23 1.75 -0.55 -2.21 0.00 0.00 174.62 173.38 1k6r h ASN 54 N 3.41 0.00 -1.45 8.08 -1.07 -1.66 0.90 115.58 123.79 1k6r h ASN 54 Ca -0.30 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.98 1k6r h ASN 54 Cb 1.18 0.00 -0.26 0.00 -2.07 0.00 0.00 38.32 37.17 1k6r h ASN 54 CO 0.41 0.00 -0.46 -0.62 0.07 0.00 0.00 177.43 176.83 1k6r s ASP 55 N -4.94 -0.38 0.18 6.14 -1.08 -1.26 -4.30 116.67 111.03 1k6r s ASP 55 Ca 0.08 -0.04 -0.14 0.00 -0.52 0.00 0.00 52.55 51.93 1k6r s ASP 55 Cb 0.10 1.47 0.15 0.00 -1.46 0.00 0.00 42.92 43.18 1k6r s ASP 55 CO 0.57 -0.32 1.75 -0.07 0.52 0.00 0.00 175.17 177.62 1k6r h LEU 56 N 8.10 0.16 0.10 -1.34 3.38 -1.95 -1.33 115.31 122.43 1k6r h LEU 56 Ca -0.09 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1k6r h LEU 56 Cb 1.15 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1k6r h LEU 56 CO 0.23 0.12 -0.20 0.00 0.09 0.00 0.00 178.44 178.68 1k6r h ALA 57 N 1.31 -0.33 0.00 1.53 0.00 -2.00 -2.32 119.26 117.45 1k6r h ALA 57 Ca 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1k6r h ALA 57 Cb 0.23 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1k6r h ALA 57 CO -0.23 -0.73 -0.19 -0.09 0.00 0.00 0.00 179.25 178.01 1k6r h ARG 58 N -0.38 0.00 -0.16 0.00 2.43 -1.92 -2.57 114.38 111.78 1k6r h ARG 58 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1k6r h ARG 58 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1k6r h ARG 58 CO -0.12 0.19 0.03 0.00 -1.51 0.00 0.00 179.97 178.56 1k6r h ALA 59 N 1.81 1.76 -0.01 2.80 0.00 -0.68 -1.84 119.26 123.10 1k6r h ALA 59 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k6r h ALA 59 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1k6r h ALA 59 CO 0.02 0.19 -0.43 0.43 0.00 0.00 0.00 179.25 179.46 1k6r n SER 60 N -4.43 1.64 -4.74 0.00 7.64 -0.99 -2.20 113.62 110.53 1k6r n SER 60 Ca -0.01 -1.27 -0.41 0.00 1.01 0.00 0.00 58.87 58.19 1k6r n SER 60 Cb 0.14 0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1k6r n SER 60 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1k6r s LYS 61 N -2.52 4.48 -0.22 1.43 1.02 -0.69 -4.71 119.74 118.53 1k6r s LYS 61 Ca 0.20 1.94 -0.10 0.00 0.02 0.00 0.00 55.97 58.03 1k6r s LYS 61 Cb 0.18 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 1k6r s LYS 61 CO 0.57 -0.08 0.13 -1.21 -0.92 0.00 0.00 175.35 173.85 1k6r s GLU 62 N -0.61 4.07 0.41 1.68 2.02 -1.26 -4.07 118.70 120.94 1k6r s GLU 62 Ca 0.52 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.28 1k6r s GLU 62 Cb -0.34 -3.46 -0.06 0.00 0.10 0.00 0.00 34.13 30.37 1k6r s GLU 62 CO 0.40 0.14 0.02 0.71 0.02 0.00 0.00 175.26 176.55 1k6r s TYR 63 N 0.81 2.26 0.14 1.61 2.02 -0.55 -4.59 117.35 119.05 1k6r s TYR 63 Ca 0.07 -0.81 -0.31 0.00 -0.37 0.00 0.00 57.07 55.65 1k6r s TYR 63 Cb -0.13 -1.62 -0.10 0.00 -0.40 0.00 0.00 41.96 39.71 1k6r s TYR 63 CO 0.02 0.29 1.61 -1.17 -1.57 0.00 0.00 175.55 174.73 1k6r s LEU 64 N -3.69 4.37 0.34 -1.29 0.20 -1.26 -0.66 118.68 116.69 1k6r s LEU 64 Ca 0.29 2.61 0.14 0.00 0.69 0.00 0.00 54.13 57.87 1k6r s LEU 64 Cb 0.08 -3.59 0.61 0.00 -0.43 0.00 0.00 46.19 42.87 1k6r s LEU 64 CO 0.15 -0.86 1.74 1.55 -0.29 0.00 0.00 176.35 178.63 1k6r h PRO 65 N 7.25 0.00 0.00 0.98 0.13 -1.75 -3.47 132.00 135.13 1k6r h PRO 65 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1k6r h PRO 65 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1k6r h PRO 65 CO 0.92 0.45 0.00 0.00 -0.23 0.00 0.00 178.00 179.14 1k6r n ALA 66 N -2.39 0.00 -0.22 -0.56 0.00 -0.63 -1.97 120.51 114.73 1k6r n ALA 66 Ca -0.01 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.73 1k6r n ALA 66 Cb 0.50 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.68 1k6r n ALA 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1k6r h SER 67 N 6.38 0.00 0.23 0.00 0.02 -1.83 0.30 113.55 118.66 1k6r h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1k6r h SER 67 Cb 0.00 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1k6r h SER 67 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 1k6r n THR 68 N -4.24 1.30 0.45 -2.27 -2.24 -0.83 -1.27 114.28 105.18 1k6r n THR 68 Ca 0.21 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.58 1k6r n THR 68 Cb 1.05 -1.41 0.47 0.00 -2.10 0.00 0.00 70.33 68.35 1k6r n THR 68 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1k6r n PHE 69 N -1.86 0.90 0.28 4.78 7.35 0.09 -2.93 117.46 126.08 1k6r n PHE 69 Ca 0.01 0.33 0.12 0.00 -0.76 0.00 0.00 57.45 57.14 1k6r n PHE 69 Cb 0.09 -1.03 0.79 0.00 0.35 0.00 0.00 39.48 39.68 1k6r n PHE 69 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1k6r h LYS 70 N 0.00 0.00 0.77 -4.13 1.57 -1.39 -0.81 116.57 112.58 1k6r h LYS 70 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1k6r h LYS 70 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1k6r h LYS 70 CO 0.00 0.03 -0.37 0.82 -0.57 0.00 0.00 179.45 179.37 1k6r h ILE 71 N 0.00 0.00 -0.08 1.86 2.04 -1.76 0.37 117.51 119.95 1k6r h ILE 71 Ca -0.00 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1k6r h ILE 71 Cb 0.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1k6r h ILE 71 CO 0.00 0.00 -0.20 1.55 0.00 0.00 0.00 178.15 179.50 1k6r h PRO 72 N -1.12 0.12 0.22 2.37 0.13 -1.74 -2.47 132.00 129.51 1k6r h PRO 72 Ca -0.11 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1k6r h PRO 72 Cb 0.79 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1k6r h PRO 72 CO 0.17 0.33 -0.11 -0.97 -0.23 0.00 0.00 178.00 177.20 1k6r h ASN 73 N 0.12 -0.25 -0.79 1.44 -0.00 -0.98 -1.38 115.58 113.75 1k6r h ASN 73 Ca 0.02 -0.01 0.05 0.00 -0.00 0.00 0.00 56.30 56.36 1k6r h ASN 73 Cb 0.43 0.06 -0.06 0.00 -0.00 0.00 0.00 38.32 38.76 1k6r h ASN 73 CO 0.03 -0.15 0.48 0.00 -0.00 0.00 0.00 177.43 177.79 1k6r h ALA 74 N 0.45 1.06 -0.38 1.57 0.00 0.04 -0.13 119.26 121.88 1k6r h ALA 74 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k6r h ALA 74 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1k6r h ALA 74 CO 0.05 0.23 0.22 0.82 0.00 0.00 0.00 179.25 180.57 1k6r h ILE 75 N 0.90 1.14 -0.62 0.00 2.04 -1.22 -2.07 117.51 117.67 1k6r h ILE 75 Ca 0.34 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1k6r h ILE 75 Cb 0.12 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1k6r h ILE 75 CO -0.15 0.14 0.15 0.40 0.00 0.00 0.00 178.15 178.69 1k6r h ILE 76 N 0.49 1.24 -0.89 -0.67 2.04 -0.74 -1.08 117.51 117.91 1k6r h ILE 76 Ca 0.14 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1k6r h ILE 76 Cb 0.03 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1k6r h ILE 76 CO -0.02 0.34 0.47 1.23 0.00 0.00 0.00 178.15 180.16 1k6r h GLY 77 N 1.04 1.34 0.83 5.37 0.00 -0.67 -0.21 103.07 110.76 1k6r h GLY 77 Ca 0.20 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1k6r h GLY 77 CO -0.00 0.60 -0.48 1.41 0.00 0.00 0.00 176.54 178.07 1k6r h LEU 78 N 1.25 0.57 -1.39 3.11 3.38 -1.14 0.45 115.31 121.54 1k6r h LEU 78 Ca 0.31 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1k6r h LEU 78 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1k6r h LEU 78 CO -0.05 1.13 0.17 -0.08 0.09 0.00 0.00 178.44 179.71 1k6r h GLU 79 N 0.04 0.59 -0.09 1.13 4.57 -1.03 -1.54 114.58 118.25 1k6r h GLU 79 Ca -0.04 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1k6r h GLU 79 Cb 1.13 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1k6r h GLU 79 CO 0.10 0.48 0.00 0.25 -1.18 0.00 0.00 179.01 178.66 1k6r n THR 80 N -4.38 0.10 -0.56 0.32 -2.24 -0.11 -4.91 114.28 102.50 1k6r n THR 80 Ca 0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1k6r n THR 80 Cb 0.14 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1k6r n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k6r n GLY 81 N 1.14 1.28 0.30 3.38 0.00 -0.58 -4.84 105.19 105.87 1k6r n GLY 81 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1k6r n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k6r h VAL 82 N 0.00 1.01 -3.31 1.61 2.07 -1.40 -3.39 116.25 112.84 1k6r h VAL 82 Ca 0.00 -0.09 -0.61 0.00 0.82 0.00 0.00 66.70 66.82 1k6r h VAL 82 Cb 0.00 0.72 -0.14 0.00 -1.52 0.00 0.00 31.29 30.35 1k6r h VAL 82 CO 0.00 0.05 -0.52 -0.63 0.02 0.00 0.00 177.57 176.49 1k6r s ILE 83 N -5.27 5.17 0.00 4.57 1.01 0.00 -5.00 121.20 121.68 1k6r s ILE 83 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1k6r s ILE 83 Cb 0.18 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1k6r s ILE 83 CO 0.71 0.44 0.39 1.17 0.00 0.00 0.00 174.94 177.65 1k6r n LYS 84 N 3.61 0.00 -3.83 2.79 3.00 -1.26 -4.64 118.16 117.83 1k6r n LYS 84 Ca -0.16 0.14 -0.09 0.00 -0.00 0.00 0.00 58.31 58.20 1k6r n LYS 84 Cb 0.52 -0.89 0.02 0.00 0.00 0.00 0.00 35.03 34.67 1k6r n LYS 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1k6r s ASN 85 N -2.37 0.07 0.57 3.14 2.20 -1.26 -4.95 114.94 112.35 1k6r s ASN 85 Ca 0.00 -1.17 0.25 0.00 -0.94 0.00 0.00 52.86 51.00 1k6r s ASN 85 Cb 0.00 0.84 1.35 0.00 -2.00 0.00 0.00 41.25 41.44 1k6r s ASN 85 CO 0.00 -1.66 1.74 1.05 -2.94 0.00 0.00 177.10 175.29 1k6r h GLU 86 N 2.01 0.00 0.00 3.55 9.09 -1.97 0.73 114.58 127.99 1k6r h GLU 86 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.09 1k6r h GLU 86 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1k6r h GLU 86 CO 0.40 0.00 -1.69 0.72 0.05 0.00 0.00 179.01 178.50 1k6r n HIS 87 N -2.65 0.00 0.00 2.06 8.25 -1.26 -2.70 115.22 118.92 1k6r n HIS 87 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1k6r n HIS 87 Cb 0.37 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1k6r n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1k6r n GLN 88 N -2.03 0.00 -4.33 -0.41 7.27 0.25 -4.76 117.38 113.37 1k6r n GLN 88 Ca -0.02 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.81 1k6r n GLN 88 Cb 0.46 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.03 1k6r n GLN 88 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1k6r s THR 107 N -3.31 3.09 0.18 1.69 -4.23 -1.26 -4.96 115.64 106.84 1k6r s THR 107 Ca 0.00 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 1k6r s THR 107 Cb 0.00 -2.73 0.10 0.00 1.34 0.00 0.00 72.50 71.21 1k6r s THR 107 CO 0.00 -0.34 1.72 0.25 -0.54 0.00 0.00 174.62 175.71 1k6r h LEU 108 N 1.93 -0.01 -1.56 4.79 5.85 -1.76 0.18 115.31 124.74 1k6r h LEU 108 Ca -0.43 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1k6r h LEU 108 Cb 1.25 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1k6r h LEU 108 CO 0.61 0.03 0.25 -0.09 -0.34 0.00 0.00 178.44 178.90 1k6r h ARG 109 N 0.22 0.54 -0.41 1.25 2.43 -1.85 0.51 114.38 117.07 1k6r h ARG 109 Ca 0.24 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1k6r h ARG 109 Cb 0.31 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1k6r h ARG 109 CO -0.32 0.38 -0.18 0.78 -1.51 0.00 0.00 179.97 179.12 1k6r h GLY 110 N 0.59 0.86 1.71 2.80 0.00 -1.26 0.84 103.07 108.61 1k6r h GLY 110 Ca 0.15 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1k6r h GLY 110 CO -0.03 0.65 -0.26 0.00 0.00 0.00 0.00 176.54 176.90 1k6r h ALA 111 N 1.09 1.22 0.00 3.60 0.00 0.13 0.44 119.26 125.74 1k6r h ALA 111 Ca 0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1k6r h ALA 111 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1k6r h ALA 111 CO 0.05 0.51 -1.00 0.82 0.00 0.00 0.00 179.25 179.63 1k6r h ILE 112 N 0.30 0.43 0.00 0.00 2.04 -0.85 -3.43 117.51 116.00 1k6r h ILE 112 Ca 0.05 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1k6r h ILE 112 Cb 0.62 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1k6r h ILE 112 CO 0.04 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.44 1k6r n GLN 113 N -2.94 0.00 -1.06 2.37 1.13 0.27 -4.76 117.38 112.39 1k6r n GLN 113 Ca -0.04 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.74 1k6r n GLN 113 Cb 0.73 -0.11 -0.12 0.00 0.11 0.00 0.00 30.24 30.85 1k6r n GLN 113 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1k6r n VAL 114 N -1.68 0.00 0.00 5.09 0.31 0.13 -4.86 118.33 117.33 1k6r n VAL 114 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1k6r n VAL 114 Cb 0.00 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 1k6r n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1k6r n SER 115 N 14.50 0.00 -1.70 4.52 3.41 -1.26 -4.74 113.62 128.35 1k6r n SER 115 Ca 0.43 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.02 1k6r n SER 115 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1k6r n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k6r n ALA 116 N 0.00 -1.05 -0.15 7.33 0.00 -1.26 -4.72 120.51 120.66 1k6r n ALA 116 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1k6r n ALA 116 Cb 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 19.45 18.72 1k6r n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k6r h VAL 117 N -0.06 0.63 -0.33 0.00 2.07 -1.93 -2.02 116.25 114.60 1k6r h VAL 117 Ca -0.05 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.53 1k6r h VAL 117 Cb 1.02 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1k6r h VAL 117 CO 0.05 0.02 0.40 1.55 0.02 0.00 0.00 177.57 179.60 1k6r h PRO 118 N 0.11 0.00 -0.43 1.57 0.13 -1.99 -2.43 132.00 128.97 1k6r h PRO 118 Ca 0.24 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.38 1k6r h PRO 118 Cb 0.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1k6r h PRO 118 CO -0.40 0.00 0.27 0.28 -0.23 0.00 0.00 178.00 177.92 1k6r h VAL 119 N 0.00 1.08 0.00 1.56 2.07 -1.73 -1.85 116.25 117.38 1k6r h VAL 119 Ca 0.16 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1k6r h VAL 119 Cb 0.95 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1k6r h VAL 119 CO -0.00 0.10 -0.22 -0.26 0.02 0.00 0.00 177.57 177.21 1k6r h PHE 120 N 0.54 0.00 0.00 1.57 0.04 -1.59 -2.95 116.94 114.55 1k6r h PHE 120 Ca 0.16 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.80 1k6r h PHE 120 Cb -0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1k6r h PHE 120 CO -0.06 0.00 -0.66 1.96 -0.60 0.00 0.00 178.31 178.95 1k6r h GLN 121 N 0.00 0.00 0.16 1.51 4.20 -1.39 -2.19 115.11 117.40 1k6r h GLN 121 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1k6r h GLN 121 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1k6r h GLN 121 CO 0.00 0.66 -0.08 0.37 -0.67 0.00 0.00 178.83 179.11 1k6r h GLN 122 N 0.00 -0.21 -0.78 1.46 5.75 -1.19 -2.23 115.11 117.91 1k6r h GLN 122 Ca -0.01 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1k6r h GLN 122 Cb 1.24 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.77 1k6r h GLN 122 CO 0.09 0.12 0.45 0.82 -2.65 0.00 0.00 178.83 177.65 1k6r h ILE 123 N -0.55 0.95 -0.22 2.39 2.04 -1.45 -1.78 117.51 118.88 1k6r h ILE 123 Ca -0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1k6r h ILE 123 Cb 0.42 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1k6r h ILE 123 CO 0.04 0.14 0.12 0.00 0.00 0.00 0.00 178.15 178.44 1k6r h ALA 124 N 1.41 0.29 -0.40 1.87 0.00 -1.37 0.11 119.26 121.18 1k6r h ALA 124 Ca 0.36 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1k6r h ALA 124 Cb 0.28 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1k6r h ALA 124 CO -0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 179.25 178.82 1k6r h ARG 125 N 0.24 0.05 -0.28 0.00 3.08 -0.76 -0.60 114.38 116.12 1k6r h ARG 125 Ca 0.08 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1k6r h ARG 125 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1k6r h ARG 125 CO -0.01 0.04 -0.24 0.93 -1.07 0.00 0.00 179.97 179.61 1k6r h GLU 126 N 0.05 0.53 -0.42 0.04 5.08 -1.11 -2.96 114.58 115.80 1k6r h GLU 126 Ca 0.19 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1k6r h GLU 126 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1k6r h GLU 126 CO -0.36 0.73 0.19 0.28 -1.00 0.00 0.00 179.01 178.85 1k6r h VAL 127 N 0.47 1.18 0.00 3.13 2.07 0.19 -3.49 116.25 119.80 1k6r h VAL 127 Ca 0.07 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1k6r h VAL 127 Cb 0.67 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1k6r h VAL 127 CO 0.05 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1k6r n GLY 128 N -0.85 -0.69 0.27 2.17 0.00 -0.33 -4.33 105.19 101.45 1k6r n GLY 128 Ca 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1k6r n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k6r h GLU 129 N 0.00 0.72 0.05 1.61 4.81 -1.88 -1.34 114.58 118.55 1k6r h GLU 129 Ca 0.00 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1k6r h GLU 129 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1k6r h GLU 129 CO 0.00 0.78 -0.03 0.28 -0.73 0.00 0.00 179.01 179.31 1k6r h VAL 130 N 0.66 1.08 -0.04 0.32 2.07 -1.99 -0.98 116.25 117.37 1k6r h VAL 130 Ca 0.12 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1k6r h VAL 130 Cb 0.51 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1k6r h VAL 130 CO 0.03 0.11 -0.04 0.03 0.02 0.00 0.00 177.57 177.71 1k6r h ARG 131 N -0.26 0.10 -0.57 1.57 3.08 -1.75 -2.46 114.38 114.10 1k6r h ARG 131 Ca -0.01 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.11 1k6r h ARG 131 Cb 0.23 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.18 1k6r h ARG 131 CO 0.01 0.56 -0.02 1.98 -1.07 0.00 0.00 179.97 181.44 1k6r h MET 132 N -0.36 0.10 -0.55 0.04 4.05 -1.28 0.13 114.93 117.07 1k6r h MET 132 Ca 0.01 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1k6r h MET 132 Cb 0.54 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 1k6r h MET 132 CO 0.01 0.07 0.32 0.37 0.23 0.00 0.00 176.91 177.91 1k6r h GLN 133 N 0.10 0.74 -0.33 0.39 5.75 -1.18 -2.32 115.11 118.27 1k6r h GLN 133 Ca 0.29 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.63 1k6r h GLN 133 Cb 0.46 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1k6r h GLN 133 CO -0.50 0.53 -0.19 -0.22 -2.65 0.00 0.00 178.83 175.81 1k6r h LYS 134 N 0.76 0.70 -0.46 1.69 3.64 -0.29 -2.96 116.57 119.65 1k6r h LYS 134 Ca 0.20 -0.32 -0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1k6r h LYS 134 Cb -0.01 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1k6r h LYS 134 CO -0.04 0.92 -0.24 1.88 -2.27 0.00 0.00 179.45 179.71 1k6r h TYR 135 N 0.47 1.14 -0.04 1.91 0.05 -0.91 -1.20 116.97 118.39 1k6r h TYR 135 Ca 0.07 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.53 1k6r h TYR 135 Cb 0.73 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1k6r h TYR 135 CO 0.06 1.12 -0.11 -0.07 -1.05 0.00 0.00 178.16 178.11 1k6r h LEU 136 N 0.83 0.05 -0.15 3.88 3.38 -1.47 0.87 115.31 122.70 1k6r h LEU 136 Ca 0.10 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1k6r h LEU 136 Cb 0.83 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1k6r h LEU 136 CO 0.07 0.17 -0.39 0.50 0.09 0.00 0.00 178.44 178.88 1k6r h LYS 137 N 0.06 0.54 -0.80 1.13 3.64 -1.31 0.52 116.57 120.33 1k6r h LYS 137 Ca 0.01 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1k6r h LYS 137 Cb 0.23 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1k6r h LYS 137 CO 0.01 0.99 0.33 0.87 -2.27 0.00 0.00 179.45 179.39 1k6r h LYS 138 N 0.17 1.19 0.00 1.90 1.57 0.03 -2.29 116.57 119.15 1k6r h LYS 138 Ca -0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1k6r h LYS 138 Cb 1.01 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1k6r h LYS 138 CO 0.09 0.96 0.00 0.74 -0.57 0.00 0.00 179.45 180.66 1k6r h PHE 139 N 1.17 0.00 -5.84 -1.35 0.04 0.80 -3.44 116.94 108.32 1k6r h PHE 139 Ca 0.27 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.66 1k6r h PHE 139 Cb 0.20 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.47 1k6r h PHE 139 CO 0.02 0.00 -0.77 0.45 -0.60 0.00 0.00 178.31 177.41 1k6r n SER 140 N -2.70 -2.63 -4.52 2.17 2.88 0.16 -4.91 113.62 104.07 1k6r n SER 140 Ca 0.04 -0.67 -0.43 0.00 -1.33 0.00 0.00 58.87 56.48 1k6r n SER 140 Cb 0.45 -4.74 -0.04 0.00 -0.75 0.00 0.00 64.21 59.13 1k6r n SER 140 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1k6r s TYR 141 N -3.44 2.78 0.00 0.66 5.04 -0.10 -4.96 117.35 117.34 1k6r s TYR 141 Ca 0.13 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1k6r s TYR 141 Cb -0.06 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.15 1k6r s TYR 141 CO 0.76 -1.38 0.00 0.41 -1.34 0.00 0.00 175.55 174.00 1k6r n GLY 142 N 5.13 2.35 0.16 8.97 0.00 -1.26 -1.86 105.19 118.69 1k6r n GLY 142 Ca 0.02 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.84 1k6r n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k6r n ASN 143 N -0.13 0.54 -3.22 1.61 0.23 0.39 -4.91 115.26 109.76 1k6r n ASN 143 Ca 0.00 -1.03 -0.23 0.00 -0.53 0.00 0.00 54.58 52.79 1k6r n ASN 143 Cb 0.00 -0.02 0.02 0.00 -2.08 0.00 0.00 39.78 37.69 1k6r n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k6r n GLN 144 N -0.66 -4.30 -3.56 -3.83 6.02 -0.78 -4.94 117.38 105.33 1k6r n GLN 144 Ca 0.20 0.69 -0.41 0.00 -0.01 0.00 0.00 57.00 57.48 1k6r n GLN 144 Cb 0.22 -5.49 -0.11 0.00 1.02 0.00 0.00 30.24 25.88 1k6r n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k6r s ASN 145 N -2.74 5.82 -0.22 1.08 3.84 -1.26 -4.93 114.94 116.52 1k6r s ASN 145 Ca 0.37 -1.02 0.14 0.00 0.21 0.00 0.00 52.86 52.56 1k6r s ASN 145 Cb -0.18 -2.05 0.50 0.00 -0.55 0.00 0.00 41.25 38.97 1k6r s ASN 145 CO 0.45 -0.42 1.42 2.30 -2.79 0.00 0.00 177.10 178.07 1k6r n ILE 146 N 5.03 2.37 -2.22 -5.21 -5.35 -1.26 -2.00 119.36 110.73 1k6r n ILE 146 Ca -0.12 -2.26 -0.33 0.00 -0.27 0.00 0.00 62.75 59.77 1k6r n ILE 146 Cb 0.46 -0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 38.07 1k6r n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k6r s SER 147 N -2.25 5.99 0.00 7.28 1.04 -1.26 -4.51 113.70 119.99 1k6r s SER 147 Ca 0.42 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.70 1k6r s SER 147 Cb 0.36 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1k6r s SER 147 CO 0.05 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1k6r n GLY 148 N -0.76 0.66 0.19 7.32 0.00 -1.26 -3.70 105.19 107.65 1k6r n GLY 148 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1k6r n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6r n GLY 149 N -0.32 0.02 0.02 -0.02 0.00 -1.26 -4.25 105.19 99.38 1k6r n GLY 149 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.16 1k6r n GLY 149 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1k6r n ILE 150 N 1.85 1.72 -1.60 -0.61 0.13 -1.26 -1.74 119.36 117.86 1k6r n ILE 150 Ca 0.00 0.53 0.06 0.00 -1.10 0.00 0.00 62.75 62.24 1k6r n ILE 150 Cb 0.00 -1.53 0.18 0.00 -0.84 0.00 0.00 39.64 37.45 1k6r n ILE 150 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1k6r n ASP 151 N -1.54 1.72 0.00 9.51 5.75 -1.26 -4.46 116.55 126.27 1k6r n ASP 151 Ca -0.00 -3.57 0.00 0.00 -0.01 0.00 0.00 54.79 51.21 1k6r n ASP 151 Cb 0.05 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1k6r n ASP 151 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1k6r n LYS 152 N -1.01 0.00 0.30 0.11 2.85 -0.74 -4.81 118.16 114.86 1k6r n LYS 152 Ca 0.17 0.00 0.20 0.00 -1.05 0.00 0.00 58.31 57.63 1k6r n LYS 152 Cb 0.72 0.00 0.93 0.00 -0.65 0.00 0.00 35.03 36.03 1k6r n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k6r h PHE 153 N 0.00 0.00 -0.01 5.58 -5.15 -1.52 -1.60 116.94 114.25 1k6r h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1k6r h PHE 153 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.77 1k6r h PHE 153 CO 0.00 0.01 -0.54 -2.67 -2.00 0.00 0.00 178.31 173.10 1k6r n TRP 154 N -3.12 0.00 -0.11 6.09 2.14 -1.26 -2.00 117.44 119.18 1k6r n TRP 154 Ca -0.01 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.43 1k6r n TRP 154 Cb 0.20 -0.07 -0.14 0.00 -0.81 0.00 0.00 31.31 30.49 1k6r n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k6r n LEU 155 N -0.73 1.07 0.00 5.67 4.77 -0.68 -1.61 117.00 125.49 1k6r n LEU 155 Ca 0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1k6r n LEU 155 Cb 0.39 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1k6r n LEU 155 CO 0.32 0.64 0.03 -1.84 -1.33 0.00 0.00 177.39 175.22 1k6r n GLU 156 N -2.91 0.00 0.00 3.23 0.28 -0.71 -4.90 120.64 115.62 1k6r n GLU 156 Ca -0.37 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 56.57 1k6r n GLU 156 Cb 1.08 -0.20 0.00 0.00 1.43 0.00 0.00 31.44 33.75 1k6r n GLU 156 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k6r n GLY 157 N 0.00 -0.93 1.06 -1.84 0.00 -0.85 -4.97 105.19 97.66 1k6r n GLY 157 Ca 0.00 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.72 1k6r n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k6r n GLN 158 N 0.00 2.39 -2.17 1.61 1.13 -1.24 -4.94 117.38 114.16 1k6r n GLN 158 Ca 0.00 -2.09 -0.42 0.00 -1.94 0.00 0.00 57.00 52.55 1k6r n GLN 158 Cb 0.00 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.83 1k6r n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k6r s LEU 159 N -1.61 4.35 0.00 1.08 2.96 -0.85 -4.68 118.68 119.95 1k6r s LEU 159 Ca 0.36 2.27 0.02 0.00 -0.22 0.00 0.00 54.13 56.56 1k6r s LEU 159 Cb 0.22 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1k6r s LEU 159 CO 0.31 -0.69 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.46 1k6r s ARG 160 N 1.66 0.45 -0.09 1.98 1.81 -1.26 -4.13 118.95 119.38 1k6r s ARG 160 Ca 0.65 -0.29 -0.11 0.00 -1.72 0.00 0.00 55.73 54.27 1k6r s ARG 160 Cb -0.35 -0.41 0.03 0.00 -0.45 0.00 0.00 34.95 33.77 1k6r s ARG 160 CO 0.29 0.11 0.29 -1.50 -0.68 0.00 0.00 175.30 173.81 1k6r s ILE 161 N -0.33 0.02 0.64 1.52 2.07 0.17 -0.46 121.20 124.82 1k6r s ILE 161 Ca 0.00 -0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.08 1k6r s ILE 161 Cb -0.03 -0.45 0.05 0.00 0.13 0.00 0.00 42.46 42.15 1k6r s ILE 161 CO -0.00 -0.07 0.91 -0.94 -1.91 0.00 0.00 174.94 172.93 1k6r s SER 162 N -0.20 4.99 0.14 4.50 1.04 -1.26 -1.49 113.70 121.43 1k6r s SER 162 Ca -0.03 0.23 -0.15 0.00 0.48 0.00 0.00 55.95 56.48 1k6r s SER 162 Cb -0.03 -0.97 0.01 0.00 0.10 0.00 0.00 66.02 65.12 1k6r s SER 162 CO 0.01 -1.41 1.65 0.00 0.98 0.00 0.00 173.24 174.47 1k6r h ALA 163 N -0.31 0.58 -0.78 5.32 0.00 -1.60 -1.53 119.26 120.94 1k6r h ALA 163 Ca -0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1k6r h ALA 163 Cb 1.31 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1k6r h ALA 163 CO 0.56 0.24 0.43 0.28 0.00 0.00 0.00 179.25 180.76 1k6r h VAL 164 N 0.58 1.23 0.00 0.00 2.07 -1.82 -1.67 116.25 116.63 1k6r h VAL 164 Ca 0.14 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1k6r h VAL 164 Cb 0.29 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1k6r h VAL 164 CO -0.00 0.26 -0.26 -1.13 0.02 0.00 0.00 177.57 176.45 1k6r h ASN 165 N 1.08 0.00 -0.07 0.57 -0.73 -1.77 -2.24 115.58 112.42 1k6r h ASN 165 Ca 0.28 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.41 1k6r h ASN 165 Cb 0.03 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 1k6r h ASN 165 CO -0.04 0.26 -0.09 1.56 -0.37 0.00 0.00 177.43 178.75 1k6r h GLN 166 N 0.00 0.18 -0.55 6.67 1.08 -0.38 -1.95 115.11 120.16 1k6r h GLN 166 Ca -0.00 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 1k6r h GLN 166 Cb 0.57 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1k6r h GLN 166 CO 0.03 0.64 0.07 -0.39 -0.95 0.00 0.00 178.83 178.23 1k6r h VAL 167 N -0.26 1.24 -0.70 -0.54 -1.51 -1.22 0.96 116.25 114.23 1k6r h VAL 167 Ca 0.01 -0.96 -0.05 0.00 -1.23 0.00 0.00 66.70 64.47 1k6r h VAL 167 Cb 0.61 0.75 -0.03 0.00 -2.13 0.00 0.00 31.29 30.49 1k6r h VAL 167 CO 0.02 0.35 0.24 -0.33 -1.23 0.00 0.00 177.57 176.62 1k6r h GLU 168 N 0.84 1.07 -0.22 5.19 5.08 -1.44 0.48 114.58 125.58 1k6r h GLU 168 Ca 0.17 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1k6r h GLU 168 Cb 0.40 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1k6r h GLU 168 CO 0.01 0.91 0.07 0.35 -1.00 0.00 0.00 179.01 179.35 1k6r h PHE 169 N 1.01 0.36 -0.07 4.33 3.57 -0.81 -2.05 116.94 123.28 1k6r h PHE 169 Ca 0.23 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1k6r h PHE 169 Cb 0.27 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1k6r h PHE 169 CO 0.02 0.43 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.22 1k6r h LEU 170 N 0.19 0.12 -0.39 0.59 3.38 -0.56 -1.84 115.31 116.79 1k6r h LEU 170 Ca 0.07 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1k6r h LEU 170 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1k6r h LEU 170 CO -0.00 0.36 -0.24 -0.08 0.09 0.00 0.00 178.44 178.57 1k6r h GLU 171 N 0.11 0.85 -0.90 1.13 4.81 -0.70 -0.01 114.58 119.87 1k6r h GLU 171 Ca 0.02 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1k6r h GLU 171 Cb 0.49 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1k6r h GLU 171 CO 0.03 1.04 0.56 0.77 -0.73 0.00 0.00 179.01 180.68 1k6r h SER 172 N 0.66 1.07 0.04 1.04 0.02 -0.96 -0.48 113.55 114.94 1k6r h SER 172 Ca 0.08 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1k6r h SER 172 Cb 0.81 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1k6r h SER 172 CO 0.07 0.81 -0.02 0.25 -1.14 0.00 0.00 176.83 176.80 1k6r h LEU 173 N 1.24 -0.05 -1.00 5.07 5.85 -1.03 0.33 115.31 125.72 1k6r h LEU 173 Ca 0.33 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1k6r h LEU 173 Cb -0.08 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 1k6r h LEU 173 CO -0.06 0.08 0.64 0.22 -0.34 0.00 0.00 178.44 178.98 1k6r h TYR 174 N -0.18 1.17 -0.16 1.25 3.20 -0.63 -0.50 116.97 121.13 1k6r h TYR 174 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1k6r h TYR 174 Cb 0.16 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1k6r h TYR 174 CO -0.03 0.53 0.00 1.28 -1.64 0.00 0.00 178.16 178.29 1k6r n LEU 175 N -4.57 1.13 -1.90 2.82 4.77 -0.22 -4.89 117.00 114.13 1k6r n LEU 175 Ca 0.17 -0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 55.46 1k6r n LEU 175 Cb 0.28 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1k6r n LEU 175 CO 0.29 0.26 -0.20 0.59 -1.33 0.00 0.00 177.39 177.00 1k6r n ASN 176 N 0.02 -5.11 -0.54 -1.43 3.02 -0.20 -4.86 115.26 106.17 1k6r n ASN 176 Ca 0.12 0.29 0.12 0.00 -0.03 0.00 0.00 54.58 55.07 1k6r n ASN 176 Cb 0.22 -4.44 0.42 0.00 -0.61 0.00 0.00 39.78 35.37 1k6r n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k6r n LYS 177 N -2.53 1.72 -2.27 3.52 5.02 0.11 -4.86 118.16 118.87 1k6r n LYS 177 Ca -0.20 -1.07 -0.33 0.00 -2.02 0.00 0.00 58.31 54.69 1k6r n LYS 177 Cb 0.64 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1k6r n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k6r s LEU 178 N -1.71 3.63 -0.97 -0.35 1.43 -1.23 -4.89 118.68 114.60 1k6r s LEU 178 Ca 0.34 1.81 -0.21 0.00 -1.03 0.00 0.00 54.13 55.04 1k6r s LEU 178 Cb 0.19 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.76 1k6r s LEU 178 CO 0.29 -0.94 1.96 -0.24 0.23 0.00 0.00 176.35 177.65 1k6r n SER 179 N -1.61 2.94 -3.65 2.29 2.88 -1.26 -4.74 113.62 110.46 1k6r n SER 179 Ca 0.09 -2.72 -0.09 0.00 -1.33 0.00 0.00 58.87 54.82 1k6r n SER 179 Cb 0.53 -1.33 -0.02 0.00 -0.75 0.00 0.00 64.21 62.64 1k6r n SER 179 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k6r s ALA 180 N 5.71 -1.45 0.55 -1.46 0.00 -1.26 -5.03 121.76 118.82 1k6r s ALA 180 Ca 0.58 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 1k6r s ALA 180 Cb 0.11 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 1k6r s ALA 180 CO 0.09 -0.91 1.20 -1.54 0.00 0.00 0.00 175.76 174.60 1k6r s SER 181 N -2.82 5.49 0.24 0.00 1.04 -1.26 -4.89 113.70 111.49 1k6r s SER 181 Ca 0.07 2.37 -0.07 0.00 0.48 0.00 0.00 55.95 58.80 1k6r s SER 181 Cb -0.03 -2.60 0.22 0.00 0.10 0.00 0.00 66.02 63.71 1k6r s SER 181 CO -0.03 -1.39 1.90 0.50 0.98 0.00 0.00 173.24 175.21 1k6r h LYS 182 N 1.23 1.23 -0.27 4.02 3.64 -1.93 -1.95 116.57 122.55 1k6r h LYS 182 Ca -0.50 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 58.84 1k6r h LYS 182 Cb 1.28 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 1k6r h LYS 182 CO 0.57 0.84 -0.08 1.49 -2.27 0.00 0.00 179.45 179.99 1k6r h GLU 183 N 1.26 -0.02 -0.52 1.90 4.81 -1.99 0.13 114.58 120.15 1k6r h GLU 183 Ca 0.33 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1k6r h GLU 183 Cb -0.10 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1k6r h GLU 183 CO -0.07 -0.02 0.03 -0.91 -0.73 0.00 0.00 179.01 177.32 1k6r h ASN 184 N -0.02 0.81 -0.43 1.04 2.35 -1.83 -0.26 115.58 117.24 1k6r h ASN 184 Ca 0.13 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1k6r h ASN 184 Cb 0.22 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1k6r h ASN 184 CO -0.29 0.85 -0.03 1.56 -1.65 0.00 0.00 177.43 177.87 1k6r h GLN 185 N 0.80 0.86 -0.35 0.81 4.20 -0.62 -1.82 115.11 118.99 1k6r h GLN 185 Ca 0.16 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1k6r h GLN 185 Cb 0.43 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1k6r h GLN 185 CO 0.02 0.88 0.02 -0.07 -0.67 0.00 0.00 178.83 179.00 1k6r h LEU 186 N 0.79 0.58 -0.12 1.46 3.38 -0.27 -0.05 115.31 121.08 1k6r h LEU 186 Ca 0.14 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1k6r h LEU 186 Cb 0.52 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1k6r h LEU 186 CO 0.03 0.74 -0.11 0.40 0.09 0.00 0.00 178.44 179.58 1k6r h ILE 187 N 0.42 0.69 -0.43 1.22 2.04 -0.80 -1.81 117.51 118.83 1k6r h ILE 187 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1k6r h ILE 187 Cb 0.43 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1k6r h ILE 187 CO 0.01 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.83 1k6r h VAL 188 N -0.13 1.20 -0.69 1.67 2.07 -1.19 -1.93 116.25 117.25 1k6r h VAL 188 Ca 0.08 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1k6r h VAL 188 Cb 0.25 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1k6r h VAL 188 CO -0.20 0.27 0.30 0.11 0.02 0.00 0.00 177.57 178.06 1k6r h LYS 189 N 0.64 1.02 -0.13 1.57 1.57 -0.40 -2.33 116.57 118.51 1k6r h LYS 189 Ca 0.14 -0.17 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1k6r h LYS 189 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1k6r h LYS 189 CO 0.00 0.83 -0.72 1.49 -0.57 0.00 0.00 179.45 180.48 1k6r h GLU 190 N 0.98 0.60 -0.05 3.15 4.81 -1.05 -2.94 114.58 120.07 1k6r h GLU 190 Ca 0.23 -0.47 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1k6r h GLU 190 Cb 0.17 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1k6r h GLU 190 CO -0.02 1.09 0.05 0.00 -0.73 0.00 0.00 179.01 179.39 1k6r h ALA 191 N 0.78 1.82 -0.04 2.92 0.00 -1.13 -1.45 119.26 122.16 1k6r h ALA 191 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k6r h ALA 191 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1k6r h ALA 191 CO 0.14 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1k6r n LEU 192 N -4.17 0.79 -4.70 0.00 4.77 -0.90 -4.74 117.00 108.06 1k6r n LEU 192 Ca -0.02 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 1k6r n LEU 192 Cb 0.14 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1k6r n LEU 192 CO 0.31 0.15 1.27 -0.69 -1.33 0.00 0.00 177.39 177.10 1k6r s VAL 193 N -1.95 3.06 0.00 4.08 1.01 -0.55 -0.91 120.40 125.13 1k6r s VAL 193 Ca 0.37 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1k6r s VAL 193 Cb 0.19 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1k6r s VAL 193 CO 0.30 0.01 0.08 0.35 0.00 0.00 0.00 175.10 175.85 1k6r n THR 194 N 4.53 0.00 -3.64 3.92 -2.24 0.30 -4.89 114.28 112.26 1k6r n THR 194 Ca 0.15 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.40 1k6r n THR 194 Cb 0.41 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 1k6r n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k6r s GLU 195 N -0.74 0.71 -0.00 -0.78 2.12 -1.16 -4.99 118.70 113.86 1k6r s GLU 195 Ca 0.00 1.22 0.07 0.00 0.36 0.00 0.00 54.97 56.62 1k6r s GLU 195 Cb 0.00 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.52 1k6r s GLU 195 CO 0.00 -0.15 -0.22 0.00 -0.54 0.00 0.00 175.26 174.35 1k6r s ALA 196 N 1.61 1.84 0.09 6.30 0.00 -1.26 -0.37 121.76 129.96 1k6r s ALA 196 Ca -0.10 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.80 1k6r s ALA 196 Cb -0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1k6r s ALA 196 CO -0.20 0.44 0.19 0.00 0.00 0.00 0.00 175.76 176.19 1k6r s ALA 197 N -0.57 -0.21 0.28 0.00 0.00 0.87 -5.00 121.76 117.13 1k6r s ALA 197 Ca 0.08 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1k6r s ALA 197 Cb -0.09 0.48 0.60 0.00 0.00 0.00 0.00 23.12 24.12 1k6r s ALA 197 CO -0.00 -0.51 1.80 -1.35 0.00 0.00 0.00 175.76 175.70 1k6r h PRO 198 N 2.76 0.82 0.00 0.00 0.11 -2.02 -2.69 132.00 130.98 1k6r h PRO 198 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k6r h PRO 198 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1k6r h PRO 198 CO 0.56 0.54 -0.91 0.39 -0.21 0.00 0.00 178.00 178.38 1k6r n GLU 199 N -4.72 0.12 -3.55 1.05 -0.58 -1.26 -5.01 120.64 106.68 1k6r n GLU 199 Ca 0.20 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.81 1k6r n GLU 199 Cb 0.43 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.73 1k6r n GLU 199 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1k6r s TYR 200 N -3.08 -0.37 -0.06 -0.32 -0.85 -1.01 -1.90 117.35 109.75 1k6r s TYR 200 Ca 0.07 0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.82 1k6r s TYR 200 Cb 0.16 0.37 0.02 0.00 0.38 0.00 0.00 41.96 42.89 1k6r s TYR 200 CO 0.80 -0.73 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.83 1k6r s LEU 201 N -2.54 1.55 -0.13 -3.49 2.96 -0.62 -0.09 118.68 116.31 1k6r s LEU 201 Ca -0.00 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1k6r s LEU 201 Cb 0.00 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 1k6r s LEU 201 CO -0.09 0.01 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.24 1k6r s VAL 202 N 0.79 4.13 -0.11 1.68 1.01 0.50 -1.18 120.40 127.20 1k6r s VAL 202 Ca -0.13 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1k6r s VAL 202 Cb -0.15 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1k6r s VAL 202 CO 0.02 0.54 -0.23 -1.00 0.00 0.00 0.00 175.10 174.42 1k6r s HIS 203 N -0.15 2.59 0.13 5.22 3.76 -0.63 -0.54 115.29 125.67 1k6r s HIS 203 Ca 0.04 -1.12 -0.25 0.00 -0.15 0.00 0.00 55.06 53.58 1k6r s HIS 203 Cb -0.13 -1.74 0.07 0.00 1.11 0.00 0.00 32.58 31.89 1k6r s HIS 203 CO 0.02 -0.47 0.83 -1.54 -0.85 0.00 0.00 174.74 172.73 1k6r s SER 204 N 0.46 -0.32 -0.15 1.40 1.04 -0.09 -1.21 113.70 114.82 1k6r s SER 204 Ca -0.16 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 55.93 1k6r s SER 204 Cb -0.17 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.52 1k6r s SER 204 CO 0.06 -0.91 0.37 -0.75 0.98 0.00 0.00 173.24 172.99 1k6r s LYS 205 N -3.44 0.37 0.60 4.02 2.47 -0.50 -4.80 119.74 118.46 1k6r s LYS 205 Ca 0.08 0.68 -0.03 0.00 -1.56 0.00 0.00 55.97 55.14 1k6r s LYS 205 Cb -0.02 0.01 0.03 0.00 -1.46 0.00 0.00 37.83 36.39 1k6r s LYS 205 CO -0.03 -0.14 0.87 0.95 0.16 0.00 0.00 175.35 177.17 1k6r s THR 206 N 1.11 3.00 -0.04 3.43 -4.23 -1.26 -2.18 115.64 115.47 1k6r s THR 206 Ca -0.07 -0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 59.97 1k6r s THR 206 Cb -0.07 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.60 1k6r s THR 206 CO -0.09 -0.18 0.31 -0.83 -0.54 0.00 0.00 174.62 173.29 1k6r s GLY 207 N -4.39 -0.17 -0.29 3.99 0.00 -0.33 -3.12 107.32 103.02 1k6r s GLY 207 Ca 0.56 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.65 1k6r s GLY 207 CO 0.42 0.25 0.60 -0.12 0.00 0.00 0.00 173.10 174.26 1k6r s PHE 208 N -1.02 -1.35 -2.45 1.90 5.36 -1.26 0.28 117.98 119.44 1k6r s PHE 208 Ca -0.11 2.03 0.27 0.00 -0.96 0.00 0.00 56.93 58.16 1k6r s PHE 208 Cb -0.05 0.66 0.92 0.00 -0.34 0.00 0.00 43.02 44.21 1k6r s PHE 208 CO 0.03 -0.71 1.67 -1.13 -1.46 0.00 0.00 175.22 173.62 1k6r n SER 209 N 5.44 1.60 0.00 6.13 3.41 -0.48 -4.66 113.62 125.04 1k6r n SER 209 Ca -0.08 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1k6r n SER 209 Cb 0.50 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1k6r n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k6r n GLY 210 N 1.22 1.79 0.07 5.00 0.00 -1.26 -4.67 105.19 107.33 1k6r n GLY 210 Ca 0.18 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 44.18 1k6r n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k6r n VAL 211 N 0.19 0.91 -4.31 1.61 0.24 -1.26 -3.52 118.33 112.18 1k6r n VAL 211 Ca 0.00 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 1k6r n VAL 211 Cb 0.00 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1k6r n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k6r n GLY 212 N 0.02 -1.10 0.00 7.63 0.00 -1.26 -2.66 105.19 107.82 1k6r n GLY 212 Ca 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1k6r n GLY 212 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k6r n THR 213 N -0.22 0.00 0.00 2.61 -2.24 0.36 -4.84 114.28 109.95 1k6r n THR 213 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k6r n THR 213 Cb 0.00 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1k6r n THR 213 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1k6r n GLU 214 N -0.16 0.00 0.00 -0.78 0.00 -1.26 -3.51 120.64 114.92 1k6r n GLU 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1k6r n GLU 214 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1k6r n GLU 214 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1k6r n SER 215 N 0.00 0.60 -3.59 -1.84 7.64 -1.26 -4.11 113.62 111.06 1k6r n SER 215 Ca 0.00 -1.62 -0.27 0.00 1.01 0.00 0.00 58.87 57.99 1k6r n SER 215 Cb 0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 1k6r n SER 215 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1k6r n ASN 216 N -0.06 2.05 -4.72 6.43 4.13 -1.23 -5.11 115.26 116.75 1k6r n ASN 216 Ca 0.00 -3.01 -0.32 0.00 1.68 0.00 0.00 54.58 52.92 1k6r n ASN 216 Cb 0.15 -0.68 0.11 0.00 -1.54 0.00 0.00 39.78 37.82 1k6r n ASN 216 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1k6r s PRO 217 N -1.32 1.93 0.32 3.52 0.04 -1.26 -0.49 135.00 137.75 1k6r s PRO 217 Ca 0.31 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 1k6r s PRO 217 Cb 0.04 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1k6r s PRO 217 CO -0.13 -1.95 0.39 0.41 0.04 0.00 0.00 177.00 175.76 1k6r n GLY 218 N -0.12 -1.55 3.17 0.56 0.00 0.11 -4.68 105.19 102.68 1k6r n GLY 218 Ca 0.12 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 1k6r n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6r s VAL 219 N -1.83 1.28 0.05 1.61 0.11 -1.26 -0.55 120.40 119.82 1k6r s VAL 219 Ca 0.23 -0.94 0.09 0.00 -2.93 0.00 0.00 61.98 58.43 1k6r s VAL 219 Cb -0.01 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 1k6r s VAL 219 CO 0.16 0.16 -0.25 0.00 -3.33 0.00 0.00 175.10 171.84 1k6r s ALA 220 N -0.68 2.30 0.14 1.54 0.00 -0.38 -1.39 121.76 123.29 1k6r s ALA 220 Ca 0.04 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1k6r s ALA 220 Cb -0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1k6r s ALA 220 CO 0.01 0.54 -0.10 -1.58 0.00 0.00 0.00 175.76 174.63 1k6r s TRP 221 N -0.82 1.24 -0.28 0.00 0.52 0.14 -1.54 118.94 118.20 1k6r s TRP 221 Ca 0.12 -0.77 -0.01 0.00 0.02 0.00 0.00 56.10 55.46 1k6r s TRP 221 Cb -0.10 -0.63 0.17 0.00 -1.15 0.00 0.00 33.47 31.76 1k6r s TRP 221 CO 0.02 0.07 0.53 -0.46 0.02 0.00 0.00 176.95 177.13 1k6r s TRP 222 N -3.33 -1.37 0.14 -1.98 -0.00 -0.02 -1.18 118.94 111.20 1k6r s TRP 222 Ca 0.16 1.42 0.07 0.00 -0.00 0.00 0.00 56.10 57.75 1k6r s TRP 222 Cb 0.03 0.39 -0.04 0.00 -0.00 0.00 0.00 33.47 33.85 1k6r s TRP 222 CO 0.00 -0.84 -0.15 0.14 -0.00 0.00 0.00 176.95 176.10 1k6r s VAL 223 N 2.76 1.51 -3.65 5.86 -7.23 -0.93 -0.75 120.40 117.98 1k6r s VAL 223 Ca 0.18 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1k6r s VAL 223 Cb -0.15 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1k6r s VAL 223 CO -0.20 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 1k6r n GLY 224 N 0.38 -0.72 3.29 2.32 0.00 -0.49 -1.41 105.19 108.55 1k6r n GLY 224 Ca -0.14 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 1k6r n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k6r s TRP 225 N -3.00 -0.16 -0.08 1.61 -2.14 -0.35 0.07 118.94 114.88 1k6r s TRP 225 Ca 0.00 -0.00 0.03 0.00 2.66 0.00 0.00 56.10 58.79 1k6r s TRP 225 Cb 0.00 0.16 0.01 0.00 -3.10 0.00 0.00 33.47 30.54 1k6r s TRP 225 CO 0.00 -0.58 -0.18 0.08 -2.66 0.00 0.00 176.95 173.62 1k6r s VAL 226 N -2.92 1.56 -0.54 -0.66 1.01 0.25 -1.61 120.40 117.49 1k6r s VAL 226 Ca -0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 1k6r s VAL 226 Cb 0.00 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 35.14 1k6r s VAL 226 CO -0.06 0.45 0.48 -1.61 0.00 0.00 0.00 175.10 174.37 1k6r s GLU 227 N 0.51 2.92 -0.34 2.72 2.02 -0.33 -0.63 118.70 125.57 1k6r s GLU 227 Ca -0.16 -1.77 -0.01 0.00 0.02 0.00 0.00 54.97 53.04 1k6r s GLU 227 Cb -0.17 -4.23 0.07 0.00 0.10 0.00 0.00 34.13 29.91 1k6r s GLU 227 CO 0.06 -1.30 0.06 0.21 0.02 0.00 0.00 175.26 174.32 1k6r s LYS 228 N 1.45 2.20 7.88 1.61 2.47 -0.66 -1.60 119.74 133.09 1k6r s LYS 228 Ca 0.05 -1.49 0.00 0.00 -1.56 0.00 0.00 55.97 52.96 1k6r s LYS 228 Cb -0.28 -3.30 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 1k6r s LYS 228 CO 0.01 -0.79 0.00 0.39 0.16 0.00 0.00 175.35 175.13 1k6r n GLU 229 N 4.57 0.00 -0.39 4.03 1.02 -0.80 -1.51 120.64 127.57 1k6r n GLU 229 Ca -0.08 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.15 1k6r n GLU 229 Cb 0.43 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 32.13 1k6r n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k6r n THR 230 N 0.00 1.09 -4.12 2.62 -2.24 -1.26 -4.92 114.28 105.45 1k6r n THR 230 Ca 0.00 -0.89 -0.26 0.00 -2.27 0.00 0.00 64.05 60.63 1k6r n THR 230 Cb 0.00 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 1k6r n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k6r s GLU 231 N -1.41 2.75 -0.07 -0.78 2.56 -0.57 -4.97 118.70 116.22 1k6r s GLU 231 Ca 0.42 -0.97 0.01 0.00 0.00 0.00 0.00 54.97 54.44 1k6r s GLU 231 Cb 0.24 -2.55 0.02 0.00 2.00 0.00 0.00 34.13 33.84 1k6r s GLU 231 CO 0.25 0.47 -0.09 0.08 -0.56 0.00 0.00 175.26 175.41 1k6r s VAL 232 N -1.80 0.94 -0.21 3.70 1.01 -1.26 -1.66 120.40 121.12 1k6r s VAL 232 Ca 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1k6r s VAL 232 Cb -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1k6r s VAL 232 CO 0.22 0.32 -0.12 -0.31 0.00 0.00 0.00 175.10 175.21 1k6r s TYR 233 N 0.91 2.94 -0.12 5.22 2.02 0.19 -0.65 117.35 127.87 1k6r s TYR 233 Ca -0.10 -1.54 -0.12 0.00 -0.37 0.00 0.00 57.07 54.94 1k6r s TYR 233 Cb -0.15 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 1k6r s TYR 233 CO 0.01 -0.74 0.26 -0.06 -1.57 0.00 0.00 175.55 173.45 1k6r s PHE 234 N 1.32 3.54 0.05 2.71 0.08 -0.63 0.86 117.98 125.91 1k6r s PHE 234 Ca 0.03 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.72 1k6r s PHE 234 Cb -0.15 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.06 1k6r s PHE 234 CO -0.08 0.45 -0.06 -0.59 -0.10 0.00 0.00 175.22 174.84 1k6r s PHE 235 N -0.22 0.62 -0.07 0.36 -0.71 0.11 -0.82 117.98 117.24 1k6r s PHE 235 Ca 0.17 -0.60 -0.03 0.00 -1.04 0.00 0.00 56.93 55.43 1k6r s PHE 235 Cb -0.13 -0.38 0.04 0.00 -1.21 0.00 0.00 43.02 41.34 1k6r s PHE 235 CO 0.05 -0.13 0.14 0.00 -1.34 0.00 0.00 175.22 173.94 1k6r s ALA 236 N -1.88 -0.17 -0.03 1.99 0.00 -0.27 -1.40 121.76 120.00 1k6r s ALA 236 Ca -0.07 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1k6r s ALA 236 Cb -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1k6r s ALA 236 CO -0.01 -0.31 -0.06 0.12 0.00 0.00 0.00 175.76 175.49 1k6r s PHE 237 N 1.60 0.75 0.02 0.00 2.19 0.07 -0.41 117.98 122.22 1k6r s PHE 237 Ca -0.04 -0.18 -0.10 0.00 0.33 0.00 0.00 56.93 56.94 1k6r s PHE 237 Cb -0.12 -0.58 0.01 0.00 -1.31 0.00 0.00 43.02 41.02 1k6r s PHE 237 CO -0.05 -0.11 0.20 0.54 1.83 0.00 0.00 175.22 177.63 1k6r s ASN 238 N 0.37 -0.00 0.04 6.13 2.20 -0.89 -0.84 114.94 121.96 1k6r s ASN 238 Ca -0.05 -0.27 -0.14 0.00 -0.94 0.00 0.00 52.86 51.47 1k6r s ASN 238 Cb -0.09 0.27 0.02 0.00 -2.00 0.00 0.00 41.25 39.45 1k6r s ASN 238 CO 0.00 -0.50 0.30 0.00 -2.94 0.00 0.00 177.10 173.96 1k6r s MET 239 N -2.13 0.79 0.32 3.55 0.23 -0.59 -0.61 119.30 120.87 1k6r s MET 239 Ca -0.08 -0.49 -0.27 0.00 -1.03 0.00 0.00 55.69 53.82 1k6r s MET 239 Cb -0.03 0.34 -0.09 0.00 -1.53 0.00 0.00 34.83 33.52 1k6r s MET 239 CO -0.02 -0.25 1.06 -0.51 -2.03 0.00 0.00 175.02 173.27 1k6r s ASP 240 N -2.01 7.11 -0.10 -1.18 1.01 -0.16 -1.25 116.67 120.09 1k6r s ASP 240 Ca -0.06 2.13 -0.06 0.00 0.71 0.00 0.00 52.55 55.27 1k6r s ASP 240 Cb -0.01 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.35 1k6r s ASP 240 CO -0.03 -0.25 0.25 -0.51 0.21 0.00 0.00 175.17 174.85 1k6r s ILE 241 N -1.37 -0.03 0.00 0.77 2.07 0.29 -4.73 121.20 118.20 1k6r s ILE 241 Ca 0.49 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.84 1k6r s ILE 241 Cb -0.27 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1k6r s ILE 241 CO 0.34 0.04 0.39 -0.90 -1.91 0.00 0.00 174.94 172.91 1k6r n ASP 242 N 3.87 0.75 -3.66 4.50 5.68 -1.26 0.05 116.55 126.48 1k6r n ASP 242 Ca -0.22 -1.07 -0.14 0.00 -0.50 0.00 0.00 54.79 52.86 1k6r n ASP 242 Cb 0.55 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.39 1k6r n ASP 242 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1k6r s ASN 243 N -0.07 0.47 0.35 -1.12 2.47 -1.26 -4.83 114.94 110.96 1k6r s ASN 243 Ca 0.00 0.52 0.22 0.00 0.42 0.00 0.00 52.86 54.02 1k6r s ASN 243 Cb 0.00 0.57 1.19 0.00 -1.45 0.00 0.00 41.25 41.56 1k6r s ASN 243 CO 0.00 -0.24 1.65 -0.33 -3.72 0.00 0.00 177.10 174.46 1k6r h GLU 244 N 8.31 0.00 -0.15 0.43 5.08 -1.97 -1.80 114.58 124.47 1k6r h GLU 244 Ca -0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1k6r h GLU 244 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1k6r h GLU 244 CO 0.14 0.00 -0.21 0.66 -1.00 0.00 0.00 179.01 178.60 1k6r h SER 245 N 0.00 0.25 -0.01 1.42 4.64 -2.04 -1.54 113.55 116.28 1k6r h SER 245 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1k6r h SER 245 Cb 0.13 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1k6r h SER 245 CO 0.00 0.47 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 1k6r n LYS 246 N -4.20 1.28 -0.28 4.77 4.76 -0.68 -4.23 118.16 119.59 1k6r n LYS 246 Ca -0.01 -0.40 0.07 0.00 -2.87 0.00 0.00 58.31 55.10 1k6r n LYS 246 Cb 0.33 -1.49 0.22 0.00 -1.84 0.00 0.00 35.03 32.25 1k6r n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1k6r h LEU 247 N 0.99 0.33 -2.49 -0.35 5.85 -1.39 -1.09 115.31 117.17 1k6r h LEU 247 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1k6r h LEU 247 Cb 0.21 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1k6r h LEU 247 CO 0.00 0.10 0.12 -0.65 -0.34 0.00 0.00 178.44 177.67 1k6r h PRO 248 N 0.47 0.00 0.00 5.25 0.11 -1.80 -2.34 132.00 133.70 1k6r h PRO 248 Ca 0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.54 1k6r h PRO 248 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1k6r h PRO 248 CO -0.43 0.00 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.15 1k6r h LEU 249 N 0.00 0.00 -2.15 2.35 3.38 -1.51 -1.86 115.31 115.51 1k6r h LEU 249 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1k6r h LEU 249 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k6r h LEU 249 CO 0.00 0.14 -0.03 0.08 0.09 0.00 0.00 178.44 178.72 1k6r h ARG 250 N 0.00 0.00 0.01 1.13 0.11 -1.59 -1.96 114.38 112.08 1k6r h ARG 250 Ca -0.00 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.67 1k6r h ARG 250 Cb 0.47 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.49 1k6r h ARG 250 CO 0.02 0.03 -2.36 1.63 0.10 0.00 0.00 179.97 179.38 1k6r n LYS 251 N -4.16 0.62 -0.17 0.08 5.02 -1.04 -4.43 118.16 114.09 1k6r n LYS 251 Ca -0.03 0.26 -0.06 0.00 -2.02 0.00 0.00 58.31 56.46 1k6r n LYS 251 Cb 0.11 -1.54 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1k6r n LYS 251 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1k6r h SER 252 N -0.60 -1.11 0.06 4.39 0.87 -1.19 -1.20 113.55 114.77 1k6r h SER 252 Ca -0.61 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1k6r h SER 252 Cb 1.71 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 64.21 1k6r h SER 252 CO -0.26 -0.31 -0.03 0.40 -0.53 0.00 0.00 176.83 176.10 1k6r h ILE 253 N -0.19 1.11 -0.82 2.23 2.04 -1.62 -2.20 117.51 118.05 1k6r h ILE 253 Ca 0.21 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1k6r h ILE 253 Cb 0.54 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1k6r h ILE 253 CO -0.62 0.15 0.55 -0.65 0.00 0.00 0.00 178.15 177.58 1k6r h PRO 254 N -0.35 1.07 -0.72 2.37 0.11 -1.75 -2.01 132.00 130.72 1k6r h PRO 254 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1k6r h PRO 254 Cb 0.31 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 1k6r h PRO 254 CO 0.01 0.71 0.38 1.15 -0.21 0.00 0.00 178.00 180.04 1k6r h THR 255 N 1.11 1.23 -0.60 -1.15 2.02 -1.15 -0.04 112.91 114.32 1k6r h THR 255 Ca 0.31 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 1k6r h THR 255 Cb -0.11 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1k6r h THR 255 CO -0.07 0.26 0.19 0.11 0.37 0.00 0.00 175.52 176.37 1k6r h LYS 256 N 1.00 0.94 -0.15 6.66 1.57 -0.83 -1.21 116.57 124.54 1k6r h LYS 256 Ca 0.25 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1k6r h LYS 256 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1k6r h LYS 256 CO -0.04 0.84 0.07 0.82 -0.57 0.00 0.00 179.45 180.57 1k6r h ILE 257 N 0.86 1.13 0.00 1.86 2.04 -0.97 -0.87 117.51 121.56 1k6r h ILE 257 Ca 0.19 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1k6r h ILE 257 Cb 0.29 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1k6r h ILE 257 CO -0.01 0.12 0.00 0.24 0.00 0.00 0.00 178.15 178.51 1k6r h MET 258 N 0.10 0.00 0.10 2.37 2.86 -0.88 -1.77 114.93 117.72 1k6r h MET 258 Ca 0.05 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1k6r h MET 258 Cb 0.14 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.81 1k6r h MET 258 CO -0.01 0.00 -0.59 0.93 1.06 0.00 0.00 176.91 178.30 1k6r h GLU 259 N 0.00 0.21 0.00 1.72 5.08 -0.73 0.91 114.58 121.77 1k6r h GLU 259 Ca 0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1k6r h GLU 259 Cb 0.38 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1k6r h GLU 259 CO 0.00 1.18 -0.03 0.66 -1.00 0.00 0.00 179.01 179.81 1k6r h SER 260 N -0.55 0.00 0.18 1.42 4.64 -0.90 0.47 113.55 118.81 1k6r h SER 260 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1k6r h SER 260 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1k6r h SER 260 CO 0.11 0.03 -0.07 -0.62 -0.87 0.00 0.00 176.83 175.41 1k6r n GLU 261 N -4.26 1.01 -2.09 4.77 -0.58 -0.69 -4.93 120.64 113.88 1k6r n GLU 261 Ca -0.03 -0.39 -0.09 0.00 -0.42 0.00 0.00 57.16 56.23 1k6r n GLU 261 Cb 0.12 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 1k6r n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k6r n GLY 262 N 1.20 0.10 0.06 0.62 0.00 0.16 -4.96 105.19 102.37 1k6r n GLY 262 Ca 0.17 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 1k6r n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k6r h ILE 263 N 0.00 0.19 0.00 -0.61 1.08 0.67 -3.49 117.51 115.35 1k6r h ILE 263 Ca -0.22 -1.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1k6r h ILE 263 Cb 1.11 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1k6r h ILE 263 CO 0.26 0.07 0.00 2.30 -0.69 0.00 0.00 178.15 180.09