#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 1.57 3.25 3.17 0.00 -1.26 -4.21 105.19 107.71 1k6r n GLY 20 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1k6r n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k6r s SER 21 N -4.00 -0.18 -0.06 1.61 0.15 -1.19 -5.11 113.70 104.91 1k6r s SER 21 Ca 0.00 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 1k6r s SER 21 Cb 0.00 0.33 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1k6r s SER 21 CO 0.00 -0.50 0.11 -0.51 1.20 0.00 0.00 173.24 173.55 1k6r s ILE 22 N -1.66 -0.18 0.03 6.45 2.07 -1.26 -3.27 121.20 123.39 1k6r s ILE 22 Ca -0.11 0.38 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 1k6r s ILE 22 Cb -0.04 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 1k6r s ILE 22 CO 0.02 0.16 0.10 -0.89 -1.91 0.00 0.00 174.94 172.42 1k6r s THR 23 N 2.15 4.77 0.41 4.00 2.01 0.05 -4.97 115.64 124.06 1k6r s THR 23 Ca 0.03 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.33 1k6r s THR 23 Cb -0.12 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1k6r s THR 23 CO -0.04 0.24 0.88 -0.70 -0.69 0.00 0.00 174.62 174.31 1k6r s GLU 24 N -2.07 4.07 -0.38 4.92 2.12 -1.26 -0.18 118.70 125.93 1k6r s GLU 24 Ca 0.27 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.51 1k6r s GLU 24 Cb -0.12 -2.26 0.14 0.00 0.26 0.00 0.00 34.13 32.15 1k6r s GLU 24 CO 0.19 -0.02 0.24 1.21 -0.54 0.00 0.00 175.26 176.33 1k6r s ASN 25 N -2.46 2.89 0.66 -1.70 3.84 0.49 -4.74 114.94 113.91 1k6r s ASN 25 Ca 0.58 -2.41 0.38 0.00 0.21 0.00 0.00 52.86 51.62 1k6r s ASN 25 Cb -0.10 -0.53 2.09 0.00 -0.55 0.00 0.00 41.25 42.17 1k6r s ASN 25 CO 0.19 -0.28 2.21 0.71 -2.79 0.00 0.00 177.10 177.14 1k6r h THR 26 N 4.99 0.08 -0.19 -5.21 1.35 -1.89 -3.08 112.91 108.97 1k6r h THR 26 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1k6r h THR 26 Cb 0.95 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1k6r h THR 26 CO 0.32 0.00 0.12 0.77 -0.25 0.00 0.00 175.52 176.48 1k6r h SER 27 N 0.00 0.23 -0.11 5.36 4.64 -1.95 -2.78 113.55 118.93 1k6r h SER 27 Ca 0.01 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1k6r h SER 27 Cb 0.25 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1k6r h SER 27 CO -0.00 0.19 0.28 -0.50 -0.87 0.00 0.00 176.83 175.93 1k6r h TRP 28 N 0.25 0.00 -0.83 4.77 6.55 -1.94 -2.88 115.95 121.86 1k6r h TRP 28 Ca 0.07 0.00 0.20 0.00 0.95 0.00 0.00 58.89 60.11 1k6r h TRP 28 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.25 1k6r h TRP 28 CO -0.06 0.00 0.57 -0.91 -1.05 0.00 0.00 178.44 176.99 1k6r h ASN 29 N 0.00 0.27 -0.94 -3.49 2.35 -1.69 -1.93 115.58 110.16 1k6r h ASN 29 Ca 0.05 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.94 1k6r h ASN 29 Cb 0.62 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.88 1k6r h ASN 29 CO -0.00 0.12 0.57 0.07 -1.65 0.00 0.00 177.43 176.53 1k6r h LYS 30 N 0.27 0.89 0.00 0.81 5.09 -1.73 0.02 116.57 121.93 1k6r h LYS 30 Ca 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 60.65 61.09 1k6r h LYS 30 Cb 1.21 -0.20 -0.00 0.00 0.10 0.00 0.00 32.23 33.34 1k6r h LYS 30 CO -0.11 0.59 -0.07 0.93 -2.09 0.00 0.00 179.45 178.70 1k6r h GLU 31 N 0.92 0.00 0.16 0.07 4.39 -1.60 -0.48 114.58 118.04 1k6r h GLU 31 Ca 0.46 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.91 1k6r h GLU 31 Cb 0.44 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1k6r h GLU 31 CO -0.26 0.07 -1.18 0.74 -1.16 0.00 0.00 179.01 177.22 1k6r h PHE 32 N 0.00 0.60 -0.38 4.33 0.04 -1.14 -3.32 116.94 117.07 1k6r h PHE 32 Ca -0.00 -0.44 -0.02 0.00 2.80 0.00 0.00 57.97 60.31 1k6r h PHE 32 Cb 0.14 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1k6r h PHE 32 CO 0.00 1.46 0.15 0.77 -0.60 0.00 0.00 178.31 180.08 1k6r h SER 33 N -0.23 0.53 -0.89 2.17 0.02 -0.91 0.15 113.55 114.39 1k6r h SER 33 Ca -0.23 -0.17 0.21 0.00 -0.84 0.00 0.00 61.79 60.75 1k6r h SER 33 Cb 1.80 -0.14 -0.12 0.00 0.14 0.00 0.00 62.40 64.09 1k6r h SER 33 CO 0.15 0.56 0.42 0.00 -1.14 0.00 0.00 176.83 176.81 1k6r h ALA 34 N 0.99 1.43 -0.13 3.77 0.00 -1.23 0.27 119.26 124.35 1k6r h ALA 34 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1k6r h ALA 34 Cb 0.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1k6r h ALA 34 CO -0.01 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.35 1k6r n GLU 35 N -5.00 2.20 -3.71 0.00 -0.58 -1.08 -4.95 120.64 107.52 1k6r n GLU 35 Ca 0.21 -1.77 -0.25 0.00 -0.42 0.00 0.00 57.16 54.94 1k6r n GLU 35 Cb 0.61 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 30.06 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 1.09 -1.57 -2.70 0.62 0.00 0.93 -4.97 120.51 113.90 1k6r n ALA 36 Ca 0.16 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1k6r n ALA 36 Cb 0.53 -3.85 -0.10 0.00 0.00 0.00 0.00 19.45 16.03 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 -3.40 4.11 -0.36 0.00 1.01 0.28 -5.00 120.40 117.03 1k6r s VAL 37 Ca 0.39 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 1k6r s VAL 37 Cb -0.19 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1k6r s VAL 37 CO 0.79 0.58 0.25 0.20 0.00 0.00 0.00 175.10 176.92 1k6r s ASN 38 N -0.64 6.05 0.00 3.32 0.01 -1.26 -4.64 114.94 117.78 1k6r s ASN 38 Ca 0.10 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.69 1k6r s ASN 38 Cb -0.12 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.41 1k6r s ASN 38 CO 0.02 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.93 1k6r n GLY 39 N 5.11 1.24 3.12 0.66 0.00 -1.26 -1.33 105.19 112.74 1k6r n GLY 39 Ca -0.12 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.52 0.15 -0.03 1.61 0.11 0.27 -4.89 120.40 115.10 1k6r s VAL 40 Ca 0.00 -1.22 -0.00 0.00 -2.93 0.00 0.00 61.98 57.83 1k6r s VAL 40 Cb 0.00 -1.05 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1k6r s VAL 40 CO 0.00 -0.67 0.03 0.12 -3.33 0.00 0.00 175.10 171.24 1k6r s PHE 41 N -2.99 0.11 -0.12 1.54 5.36 -1.26 -2.10 117.98 118.52 1k6r s PHE 41 Ca -0.02 0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.10 1k6r s PHE 41 Cb 0.01 -0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.38 1k6r s PHE 41 CO -0.06 -0.11 -0.23 0.08 -1.46 0.00 0.00 175.22 173.44 1k6r s VAL 42 N 1.22 2.02 -0.03 3.12 1.01 -0.09 -3.43 120.40 124.21 1k6r s VAL 42 Ca -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.96 1k6r s VAL 42 Cb -0.13 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1k6r s VAL 42 CO -0.03 0.55 -0.11 -0.22 0.00 0.00 0.00 175.10 175.29 1k6r s LEU 43 N 0.56 1.80 -0.06 3.92 2.96 -0.46 -1.51 118.68 125.89 1k6r s LEU 43 Ca -0.14 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1k6r s LEU 43 Cb -0.17 -0.68 0.02 0.00 0.50 0.00 0.00 46.19 45.87 1k6r s LEU 43 CO 0.04 0.09 -0.03 0.00 -1.32 0.00 0.00 176.35 175.13 1k6r s LYS 45 N 1.35 4.13 0.00 0.00 2.20 -1.24 -1.17 119.74 125.01 1k6r s LYS 45 Ca -0.04 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1k6r s LYS 45 Cb -0.13 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1k6r s LYS 45 CO -0.02 0.46 0.00 0.43 -0.36 0.00 0.00 175.35 175.85 1k6r n SER 46 N 2.62 0.00 -2.99 1.43 7.64 -0.31 -4.72 113.62 117.30 1k6r n SER 46 Ca -0.11 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.73 1k6r n SER 46 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1k6r n SER 46 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1k6r n SER 47 N 1.22 -1.75 -0.35 6.43 3.41 -1.26 -4.88 113.62 116.43 1k6r n SER 47 Ca 0.00 -2.02 0.03 0.00 -0.26 0.00 0.00 58.87 56.62 1k6r n SER 47 Cb 0.00 2.87 0.10 0.00 -0.26 0.00 0.00 64.21 66.93 1k6r n SER 47 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k6r n SER 48 N -1.32 1.02 -0.13 4.04 3.41 -1.26 -3.86 113.62 115.52 1k6r n SER 48 Ca -0.04 -1.98 -0.10 0.00 -0.26 0.00 0.00 58.87 56.49 1k6r n SER 48 Cb 0.54 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1k6r n SER 48 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k6r h LYS 49 N 1.13 0.68 -4.00 4.33 3.64 -1.89 -3.41 116.57 117.05 1k6r h LYS 49 Ca 0.00 -0.21 -0.59 0.00 -1.27 0.00 0.00 60.65 58.58 1k6r h LYS 49 Cb 0.26 -0.07 -0.39 0.00 -0.41 0.00 0.00 32.23 31.62 1k6r h LYS 49 CO 0.00 0.76 -0.77 -1.54 -2.27 0.00 0.00 179.45 175.64 1k6r s SER 50 N -6.16 3.79 0.18 4.20 1.04 -1.25 -3.20 113.70 112.30 1k6r s SER 50 Ca -0.13 -1.32 0.11 0.00 0.48 0.00 0.00 55.95 55.09 1k6r s SER 50 Cb 0.10 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 1k6r s SER 50 CO 0.79 -0.31 -0.21 0.00 0.98 0.00 0.00 173.24 174.48 1k6r s ALA 52 N -1.56 2.53 0.22 0.00 0.00 0.53 -0.77 121.76 122.71 1k6r s ALA 52 Ca 0.20 -1.58 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 1k6r s ALA 52 Cb -0.09 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1k6r s ALA 52 CO 0.10 0.46 0.53 -0.08 0.00 0.00 0.00 175.76 176.78 1k6r s THR 53 N -1.52 0.02 -1.78 0.00 -1.32 0.75 -1.36 115.64 110.43 1k6r s THR 53 Ca 0.19 -0.97 0.24 0.00 -1.21 0.00 0.00 61.69 59.94 1k6r s THR 53 Cb -0.09 -1.79 0.04 0.00 -1.51 0.00 0.00 72.50 69.16 1k6r s THR 53 CO 0.09 -0.08 1.21 -0.46 -2.21 0.00 0.00 174.62 173.18 1k6r n ASN 54 N -0.36 1.55 -3.22 8.08 6.94 -1.22 0.18 115.26 127.21 1k6r n ASN 54 Ca -0.07 -1.22 -0.01 0.00 -0.02 0.00 0.00 54.58 53.26 1k6r n ASN 54 Cb 0.62 0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 38.44 1k6r n ASN 54 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1k6r s ASP 55 N -2.57 -0.83 0.22 0.53 -1.08 -1.26 -4.79 116.67 106.89 1k6r s ASP 55 Ca 0.18 0.45 -0.08 0.00 -0.52 0.00 0.00 52.55 52.59 1k6r s ASP 55 Cb 0.18 1.76 0.19 0.00 -1.46 0.00 0.00 42.92 43.59 1k6r s ASP 55 CO 0.60 -0.29 1.83 -0.07 0.52 0.00 0.00 175.17 177.76 1k6r h LEU 56 N 8.06 1.10 0.34 -1.34 3.38 -1.94 -1.77 115.31 123.15 1k6r h LEU 56 Ca -0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1k6r h LEU 56 Cb 1.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1k6r h LEU 56 CO 0.24 0.90 -0.17 0.00 0.09 0.00 0.00 178.44 179.51 1k6r h ALA 57 N 1.24 -0.46 0.00 1.53 0.00 -2.00 -3.21 119.26 116.35 1k6r h ALA 57 Ca 0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1k6r h ALA 57 Cb 0.08 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1k6r h ALA 57 CO -0.04 -0.61 -0.22 -0.09 0.00 0.00 0.00 179.25 178.29 1k6r h ARG 58 N -0.77 0.00 -0.83 0.00 2.43 -1.95 -2.87 114.38 110.39 1k6r h ARG 58 Ca -0.05 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.27 1k6r h ARG 58 Cb 0.51 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 1k6r h ARG 58 CO 0.08 0.22 0.55 0.00 -1.51 0.00 0.00 179.97 179.31 1k6r h ALA 59 N 1.78 1.98 -0.45 2.80 0.00 -1.32 -1.25 119.26 122.80 1k6r h ALA 59 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k6r h ALA 59 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1k6r h ALA 59 CO 0.03 -0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.50 1k6r n SER 60 N -4.52 3.32 -4.76 0.00 7.64 -1.09 -2.04 113.62 112.17 1k6r n SER 60 Ca 0.16 -1.95 -0.40 0.00 1.01 0.00 0.00 58.87 57.70 1k6r n SER 60 Cb 0.51 -0.30 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 1k6r n SER 60 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k6r s LYS 61 N -1.13 4.71 -0.16 1.43 2.20 -0.47 -4.76 119.74 121.55 1k6r s LYS 61 Ca 0.35 1.64 -0.12 0.00 -0.36 0.00 0.00 55.97 57.47 1k6r s LYS 61 Cb 0.19 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1k6r s LYS 61 CO 0.26 0.33 0.25 -1.21 -0.36 0.00 0.00 175.35 174.61 1k6r s GLU 62 N -1.42 4.18 0.19 4.03 2.02 -1.26 -3.95 118.70 122.49 1k6r s GLU 62 Ca 0.44 0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.52 1k6r s GLU 62 Cb -0.28 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.50 1k6r s GLU 62 CO 0.36 0.30 -0.15 0.71 0.02 0.00 0.00 175.26 176.50 1k6r s TYR 63 N 0.30 1.70 0.17 1.61 2.02 -0.19 -4.65 117.35 118.32 1k6r s TYR 63 Ca 0.15 -0.56 -0.32 0.00 -0.37 0.00 0.00 57.07 55.96 1k6r s TYR 63 Cb -0.13 -0.80 -0.12 0.00 -0.40 0.00 0.00 41.96 40.51 1k6r s TYR 63 CO 0.03 0.34 1.73 -0.11 -1.57 0.00 0.00 175.55 175.97 1k6r n LEU 64 N -0.24 3.83 0.19 -1.29 7.94 -1.26 -0.60 117.00 125.57 1k6r n LEU 64 Ca -0.09 1.04 0.05 0.00 -1.11 0.00 0.00 56.01 55.90 1k6r n LEU 64 Cb 0.60 -1.53 0.38 0.00 0.53 0.00 0.00 43.42 43.40 1k6r n LEU 64 CO 0.34 0.09 0.72 1.55 -1.11 0.00 0.00 177.39 178.97 1k6r h PRO 65 N 7.12 0.00 0.00 1.96 0.13 -1.79 -3.46 132.00 135.96 1k6r h PRO 65 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1k6r h PRO 65 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k6r h PRO 65 CO 0.94 0.36 0.00 0.00 -0.23 0.00 0.00 178.00 179.07 1k6r n ALA 66 N -2.35 0.00 0.16 -0.56 0.00 -0.90 -1.90 120.51 114.95 1k6r n ALA 66 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.62 1k6r n ALA 66 Cb 0.45 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.66 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 6.68 0.00 0.46 0.00 0.02 -1.83 -0.46 113.55 118.43 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 0.71 -1.14 0.00 0.00 176.83 176.40 1k6r h THR 68 N 0.00 0.00 0.00 -2.27 1.35 -1.46 -0.03 112.91 110.50 1k6r h THR 68 Ca 0.14 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1k6r h THR 68 Cb 0.97 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1k6r h THR 68 CO -0.00 0.00 0.00 0.33 -0.25 0.00 0.00 175.52 175.60 1k6r n PHE 69 N -2.70 0.46 0.29 4.73 7.35 -0.18 -2.65 117.46 124.76 1k6r n PHE 69 Ca -0.00 0.18 0.15 0.00 -0.76 0.00 0.00 57.45 57.01 1k6r n PHE 69 Cb 0.17 -0.79 0.85 0.00 0.35 0.00 0.00 39.48 40.06 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 0.63 -4.13 6.56 -1.18 -1.29 116.57 117.16 1k6r h LYS 70 Ca 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1k6r h LYS 70 Cb 0.35 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.01 1k6r h LYS 70 CO 0.00 0.05 -0.30 0.82 -2.06 0.00 0.00 179.45 177.96 1k6r h ILE 71 N 0.00 0.00 -0.35 1.86 2.04 -1.71 -0.85 117.51 118.50 1k6r h ILE 71 Ca -0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1k6r h ILE 71 Cb 0.17 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1k6r h ILE 71 CO 0.01 0.00 0.12 1.55 0.00 0.00 0.00 178.15 179.83 1k6r h PRO 72 N -1.05 0.49 -0.84 2.37 0.13 -1.74 -1.96 132.00 129.41 1k6r h PRO 72 Ca -0.09 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1k6r h PRO 72 Cb 0.65 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.64 1k6r h PRO 72 CO 0.14 0.42 0.55 -0.97 -0.23 0.00 0.00 178.00 177.91 1k6r h ASN 73 N 0.49 0.93 -0.40 1.44 -0.73 -1.22 -0.65 115.58 115.43 1k6r h ASN 73 Ca 0.12 -0.01 -0.14 0.00 1.87 0.00 0.00 56.30 58.14 1k6r h ASN 73 Cb 0.13 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1k6r h ASN 73 CO -0.01 0.65 -0.28 0.00 -0.37 0.00 0.00 177.43 177.43 1k6r h ALA 74 N 1.33 0.69 -0.15 1.57 0.00 -0.40 -1.03 119.26 121.27 1k6r h ALA 74 Ca 0.32 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1k6r h ALA 74 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1k6r h ALA 74 CO -0.09 0.67 0.04 0.82 0.00 0.00 0.00 179.25 180.69 1k6r h ILE 75 N 0.79 1.19 -0.95 0.00 2.04 -1.07 -2.08 117.51 117.42 1k6r h ILE 75 Ca 0.09 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1k6r h ILE 75 Cb 0.85 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1k6r h ILE 75 CO 0.07 0.18 0.58 0.40 0.00 0.00 0.00 178.15 179.38 1k6r h ILE 76 N 0.06 1.26 -0.61 -0.67 2.04 -1.09 0.29 117.51 118.79 1k6r h ILE 76 Ca 0.05 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1k6r h ILE 76 Cb 0.23 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 1k6r h ILE 76 CO -0.00 0.27 0.35 1.23 0.00 0.00 0.00 178.15 180.00 1k6r h GLY 77 N 1.31 0.88 0.78 5.37 0.00 -0.91 -1.00 103.07 109.51 1k6r h GLY 77 Ca 0.34 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 1k6r h GLY 77 CO -0.07 0.19 -0.26 1.41 0.00 0.00 0.00 176.54 177.81 1k6r h LEU 78 N 0.68 0.47 -0.85 3.11 3.38 -0.90 0.35 115.31 121.56 1k6r h LEU 78 Ca 0.26 -0.55 0.07 0.00 0.09 0.00 0.00 57.88 57.75 1k6r h LEU 78 Cb 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1k6r h LEU 78 CO -0.14 0.93 0.52 -0.33 0.09 0.00 0.00 178.44 179.52 1k6r h GLU 79 N 0.03 0.91 0.00 1.13 4.39 -0.72 -1.86 114.58 118.47 1k6r h GLU 79 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1k6r h GLU 79 Cb 0.85 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1k6r h GLU 79 CO 0.06 0.60 0.00 0.25 -1.16 0.00 0.00 179.01 178.76 1k6r n THR 80 N -4.64 0.03 -0.42 1.13 -2.24 -0.40 -4.90 114.28 102.84 1k6r n THR 80 Ca 0.13 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1k6r n THR 80 Cb 0.19 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.36 1.47 0.37 3.38 0.00 -0.70 -4.89 105.19 106.19 1k6r n GLY 81 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 1.23 -3.61 1.61 2.07 -1.47 -3.31 116.25 112.77 1k6r h VAL 82 Ca 0.00 -0.45 -0.70 0.00 0.82 0.00 0.00 66.70 66.37 1k6r h VAL 82 Cb 0.00 -0.19 -0.21 0.00 -1.52 0.00 0.00 31.29 29.37 1k6r h VAL 82 CO 0.00 0.24 -0.47 -0.63 0.02 0.00 0.00 177.57 176.72 1k6r s ILE 83 N -6.11 5.11 0.13 4.57 1.01 -0.01 -4.99 121.20 120.91 1k6r s ILE 83 Ca -0.13 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 1k6r s ILE 83 Cb 0.18 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1k6r s ILE 83 CO 0.81 -0.14 1.61 0.50 0.00 0.00 0.00 174.94 177.73 1k6r h LYS 84 N 8.52 -0.41 -2.78 2.79 3.64 -1.87 -3.39 116.57 123.07 1k6r h LYS 84 Ca -0.29 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1k6r h LYS 84 Cb 1.14 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1k6r h LYS 84 CO 0.67 -0.27 0.40 0.54 -2.27 0.00 0.00 179.45 178.52 1k6r s ASN 85 N -4.89 -0.04 0.52 4.20 2.20 -1.26 -5.00 114.94 110.67 1k6r s ASN 85 Ca -0.15 -0.87 0.31 0.00 -0.94 0.00 0.00 52.86 51.21 1k6r s ASN 85 Cb 0.10 0.69 1.69 0.00 -2.00 0.00 0.00 41.25 41.73 1k6r s ASN 85 CO 0.66 -1.35 1.94 1.05 -2.94 0.00 0.00 177.10 176.46 1k6r h GLU 86 N 2.00 0.00 -0.56 3.55 9.09 -1.99 -1.95 114.58 124.72 1k6r h GLU 86 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 1k6r h GLU 86 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1k6r h GLU 86 CO 0.36 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.14 1k6r n HIS 87 N -2.67 0.90 -2.14 2.06 8.25 -1.26 -4.58 115.22 115.79 1k6r n HIS 87 Ca -0.02 -0.55 -0.40 0.00 -0.26 0.00 0.00 57.72 56.49 1k6r n HIS 87 Cb 0.15 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1k6r n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k6r s GLN 88 N -1.28 4.33 -0.16 -0.41 0.74 -0.74 -5.00 119.66 117.14 1k6r s GLN 88 Ca 0.40 2.17 -0.06 0.00 0.05 0.00 0.00 55.36 57.92 1k6r s GLN 88 Cb 0.23 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 1k6r s GLN 88 CO 0.24 -0.19 0.04 0.08 -0.55 0.00 0.00 175.29 174.91 1k6r s VAL 89 N -1.16 4.63 -0.59 1.34 1.01 -1.26 -4.08 120.40 120.29 1k6r s VAL 89 Ca 0.49 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 1k6r s VAL 89 Cb -0.39 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.02 1k6r s VAL 89 CO 0.51 0.49 0.74 -0.36 0.00 0.00 0.00 175.10 176.49 1k6r s PHE 90 N 0.16 2.94 0.16 5.22 0.08 0.20 -4.92 117.98 121.82 1k6r s PHE 90 Ca 0.03 -0.82 -0.31 0.00 0.12 0.00 0.00 56.93 55.96 1k6r s PHE 90 Cb -0.12 -4.00 -0.09 0.00 -0.57 0.00 0.00 43.02 38.24 1k6r s PHE 90 CO 0.01 -1.32 1.40 0.15 -0.10 0.00 0.00 175.22 175.36 1k6r s LYS 91 N 2.94 4.31 0.00 0.44 -0.14 -1.26 -1.63 119.74 124.41 1k6r s LYS 91 Ca 0.14 2.14 -0.27 0.00 -1.36 0.00 0.00 55.97 56.63 1k6r s LYS 91 Cb -0.22 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 1k6r s LYS 91 CO 0.08 -0.42 0.84 -0.46 -0.76 0.00 0.00 175.35 174.63 1k6r s TRP 92 N 0.73 3.67 -2.06 3.18 -0.00 -1.26 -4.94 118.94 118.25 1k6r s TRP 92 Ca 0.63 1.51 0.12 0.00 -0.00 0.00 0.00 56.10 58.36 1k6r s TRP 92 Cb -0.38 -2.94 0.48 0.00 -0.00 0.00 0.00 33.47 30.63 1k6r s TRP 92 CO 0.34 0.12 1.34 -0.40 -0.00 0.00 0.00 176.95 178.35 1k6r n ASP 93 N 3.44 1.03 0.00 5.86 5.68 -1.26 -4.89 116.55 126.41 1k6r n ASP 93 Ca 0.01 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1k6r n ASP 93 Cb 0.51 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1k6r n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k6r n GLY 94 N 0.89 2.72 3.77 6.12 0.00 -1.26 -5.02 105.19 112.41 1k6r n GLY 94 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1k6r n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6r s LYS 95 N -0.30 4.00 0.29 1.61 -0.14 -1.26 -4.97 119.74 118.98 1k6r s LYS 95 Ca 0.00 1.68 -0.29 0.00 -1.36 0.00 0.00 55.97 56.00 1k6r s LYS 95 Cb 0.00 -2.53 -0.13 0.00 -1.68 0.00 0.00 37.83 33.49 1k6r s LYS 95 CO 0.00 -0.32 1.30 -2.30 -0.76 0.00 0.00 175.35 173.27 1k6r n PRO 96 N -0.17 2.00 -4.55 -1.68 -0.02 -1.26 -5.00 135.00 124.32 1k6r n PRO 96 Ca 0.06 0.70 -0.23 0.00 -2.02 0.00 0.00 63.50 62.01 1k6r n PRO 96 Cb 0.48 -2.29 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 1k6r n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k6r s ARG 97 N -1.25 1.18 0.45 -0.52 0.52 -1.26 -5.04 118.95 113.03 1k6r s ARG 97 Ca 0.61 -0.78 0.34 0.00 -0.52 0.00 0.00 55.73 55.38 1k6r s ARG 97 Cb -0.62 -1.22 1.51 0.00 0.52 0.00 0.00 34.95 35.14 1k6r s ARG 97 CO 0.57 0.31 1.59 0.00 0.02 0.00 0.00 175.30 177.79 1k6r h ALA 98 N 5.10 2.91 -4.03 2.13 0.00 -1.98 -3.39 119.26 119.99 1k6r h ALA 98 Ca -0.39 0.11 -0.50 0.00 0.00 0.00 0.00 54.91 54.13 1k6r h ALA 98 Cb 1.17 0.23 -0.30 0.00 0.00 0.00 0.00 17.79 18.89 1k6r h ALA 98 CO 0.45 -1.58 -0.82 -1.64 0.00 0.00 0.00 179.25 175.66 1k6r s MET 99 N -5.23 1.33 0.49 0.00 -1.94 -1.26 -5.03 119.30 107.65 1k6r s MET 99 Ca -0.07 -0.50 0.17 0.00 -1.71 0.00 0.00 55.69 53.58 1k6r s MET 99 Cb 0.30 -1.23 1.21 0.00 2.01 0.00 0.00 34.83 37.12 1k6r s MET 99 CO 0.83 0.25 2.05 0.87 -0.01 0.00 0.00 175.02 179.01 1k6r h LYS 100 N 6.06 0.16 0.00 2.03 1.57 -1.99 -0.79 116.57 123.62 1k6r h LYS 100 Ca -0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1k6r h LYS 100 Cb 1.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1k6r h LYS 100 CO 0.48 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 1k6r n GLN 101 N -4.46 0.27 0.00 3.15 10.64 -1.26 -1.89 117.38 123.83 1k6r n GLN 101 Ca 0.05 0.10 0.10 0.00 -1.83 0.00 0.00 57.00 55.43 1k6r n GLN 101 Cb 0.33 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.12 1k6r n GLN 101 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1k6r n TRP 102 N -1.28 0.00 -2.39 2.61 8.01 -0.30 -4.70 117.44 119.39 1k6r n TRP 102 Ca 0.09 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.85 1k6r n TRP 102 Cb 0.15 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 1k6r n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k6r n GLU 103 N -1.40 3.35 0.00 -0.99 1.02 -0.79 -4.81 120.64 117.01 1k6r n GLU 103 Ca 0.04 -3.38 0.00 0.00 -0.02 0.00 0.00 57.16 53.81 1k6r n GLU 103 Cb 0.34 -3.10 0.00 0.00 -0.02 0.00 0.00 31.44 28.66 1k6r n GLU 103 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1k6r n ARG 104 N 5.35 0.00 -2.19 3.49 1.85 -1.26 -5.08 116.66 118.82 1k6r n ARG 104 Ca 0.43 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.92 1k6r n ARG 104 Cb 0.40 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.81 1k6r n ARG 104 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1k6r s ASP 105 N 0.00 5.69 0.01 2.89 1.01 -1.26 -4.29 116.67 120.72 1k6r s ASP 105 Ca 0.00 2.27 -0.02 0.00 0.71 0.00 0.00 52.55 55.51 1k6r s ASP 105 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1k6r s ASP 105 CO 0.00 -1.25 0.02 -0.76 0.21 0.00 0.00 175.17 173.39 1k6r s LEU 106 N -3.68 2.05 0.66 1.23 1.43 -0.65 -4.96 118.68 114.76 1k6r s LEU 106 Ca 0.72 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1k6r s LEU 106 Cb -0.27 0.25 0.10 0.00 0.03 0.00 0.00 46.19 46.30 1k6r s LEU 106 CO 0.30 -0.31 0.91 0.42 0.23 0.00 0.00 176.35 177.90 1k6r s THR 107 N -1.40 2.25 0.14 5.49 -4.23 -1.26 0.60 115.64 117.23 1k6r s THR 107 Ca -0.15 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1k6r s THR 107 Cb -0.09 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1k6r s THR 107 CO -0.00 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.06 1k6r h LEU 108 N -0.27 0.52 -0.59 4.79 5.85 -1.81 0.37 115.31 124.16 1k6r h LEU 108 Ca -0.36 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1k6r h LEU 108 Cb 1.28 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1k6r h LEU 108 CO 0.42 0.47 0.24 -0.09 -0.34 0.00 0.00 178.44 179.14 1k6r h ARG 109 N 0.52 0.89 -0.47 1.25 2.43 -1.90 -1.31 114.38 115.80 1k6r h ARG 109 Ca 0.14 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1k6r h ARG 109 Cb 0.08 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1k6r h ARG 109 CO -0.02 0.76 0.29 0.78 -1.51 0.00 0.00 179.97 180.27 1k6r h GLY 110 N 0.82 0.66 1.06 2.80 0.00 -1.84 -0.59 103.07 105.97 1k6r h GLY 110 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1k6r h GLY 110 CO -0.02 0.21 0.32 0.00 0.00 0.00 0.00 176.54 177.06 1k6r h ALA 111 N 1.19 1.06 -0.12 3.60 0.00 -0.61 -2.73 119.26 121.64 1k6r h ALA 111 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1k6r h ALA 111 Cb -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1k6r h ALA 111 CO -0.06 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 1k6r h ILE 112 N 1.16 1.28 -0.77 0.00 2.04 -0.88 -0.56 117.51 119.78 1k6r h ILE 112 Ca 0.27 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1k6r h ILE 112 Cb 0.21 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1k6r h ILE 112 CO -0.02 0.26 0.51 1.56 0.00 0.00 0.00 178.15 180.45 1k6r h GLN 113 N -0.08 0.85 -0.57 2.37 1.08 -1.00 -2.15 115.11 115.61 1k6r h GLN 113 Ca 0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1k6r h GLN 113 Cb 0.41 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1k6r h GLN 113 CO 0.01 0.56 0.00 1.33 -0.95 0.00 0.00 178.83 179.78 1k6r n VAL 114 N -4.47 1.38 -3.93 -0.54 0.24 -1.04 -4.98 118.33 104.99 1k6r n VAL 114 Ca 0.11 -1.14 -0.25 0.00 -2.04 0.00 0.00 64.34 61.02 1k6r n VAL 114 Cb 0.18 0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 1k6r n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1k6r n SER 115 N 1.03 -0.38 -4.57 -1.34 7.64 -0.61 -4.79 113.62 110.58 1k6r n SER 115 Ca 0.22 -0.99 -0.17 0.00 1.01 0.00 0.00 58.87 58.94 1k6r n SER 115 Cb 0.69 -3.15 -0.09 0.00 -1.01 0.00 0.00 64.21 60.65 1k6r n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k6r s ALA 116 N -3.93 0.76 0.20 -0.43 0.00 -0.32 -4.83 121.76 113.21 1k6r s ALA 116 Ca 0.01 -1.39 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 1k6r s ALA 116 Cb -0.00 -4.66 0.15 0.00 0.00 0.00 0.00 23.12 18.61 1k6r s ALA 116 CO 0.88 -6.33 1.57 0.28 0.00 0.00 0.00 175.76 172.16 1k6r h VAL 117 N 6.93 0.09 -0.31 0.00 2.07 -1.89 -1.33 116.25 121.80 1k6r h VAL 117 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1k6r h VAL 117 Cb 0.99 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1k6r h VAL 117 CO 1.05 0.00 0.22 1.55 0.02 0.00 0.00 177.57 180.42 1k6r h PRO 118 N -0.11 0.00 -0.17 1.57 0.13 -1.99 0.16 132.00 131.60 1k6r h PRO 118 Ca 0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.34 1k6r h PRO 118 Cb 0.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1k6r h PRO 118 CO -0.81 0.00 -0.12 0.28 -0.23 0.00 0.00 178.00 177.13 1k6r h VAL 119 N 0.00 1.33 0.00 1.56 2.07 -1.65 -2.31 116.25 117.24 1k6r h VAL 119 Ca 0.15 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1k6r h VAL 119 Cb 0.59 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1k6r h VAL 119 CO -0.00 0.36 -0.07 -0.26 0.02 0.00 0.00 177.57 177.62 1k6r h PHE 120 N 0.04 0.00 -0.12 1.57 0.04 -1.14 -2.43 116.94 114.90 1k6r h PHE 120 Ca 0.03 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.58 1k6r h PHE 120 Cb 0.62 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.78 1k6r h PHE 120 CO 0.07 0.07 -0.80 1.96 -0.60 0.00 0.00 178.31 179.01 1k6r h GLN 121 N 0.00 0.69 -0.45 1.51 4.20 -0.63 -1.43 115.11 119.00 1k6r h GLN 121 Ca -0.00 -0.59 -0.10 0.00 0.06 0.00 0.00 58.65 58.02 1k6r h GLN 121 Cb 0.76 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1k6r h GLN 121 CO 0.01 1.20 -0.14 0.37 -0.67 0.00 0.00 178.83 179.60 1k6r h GLN 122 N 0.46 0.83 -0.48 1.46 5.75 -1.22 -1.39 115.11 120.53 1k6r h GLN 122 Ca -0.06 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.08 1k6r h GLN 122 Cb 1.42 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.90 1k6r h GLN 122 CO 0.16 0.93 0.04 0.82 -2.65 0.00 0.00 178.83 178.12 1k6r h ILE 123 N 0.74 1.26 -0.31 2.39 2.04 -1.40 -2.06 117.51 120.18 1k6r h ILE 123 Ca 0.12 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1k6r h ILE 123 Cb 0.65 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1k6r h ILE 123 CO 0.05 0.35 0.15 0.00 0.00 0.00 0.00 178.15 178.69 1k6r h ALA 124 N 0.94 0.41 -0.96 1.87 0.00 -1.02 -0.03 119.26 120.48 1k6r h ALA 124 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1k6r h ALA 124 Cb 0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1k6r h ALA 124 CO 0.02 -0.03 0.63 0.00 0.00 0.00 0.00 179.25 179.87 1k6r h ARG 125 N 0.37 1.26 -0.15 0.00 3.08 -1.18 0.78 114.38 118.54 1k6r h ARG 125 Ca 0.11 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 1k6r h ARG 125 Cb 0.13 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1k6r h ARG 125 CO -0.01 0.84 -0.55 0.93 -1.07 0.00 0.00 179.97 180.10 1k6r h GLU 126 N 1.30 0.46 -0.20 0.04 5.08 -1.12 -3.03 114.58 117.12 1k6r h GLU 126 Ca 0.35 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1k6r h GLU 126 Cb -0.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1k6r h GLU 126 CO -0.08 0.90 0.03 0.28 -1.00 0.00 0.00 179.01 179.14 1k6r h VAL 127 N 0.36 1.22 0.00 3.13 2.07 -0.44 -3.50 116.25 119.10 1k6r h VAL 127 Ca 0.01 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1k6r h VAL 127 Cb 1.08 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1k6r h VAL 127 CO 0.10 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1k6r n GLY 128 N -0.44 -0.45 0.33 2.17 0.00 0.22 -4.37 105.19 102.65 1k6r n GLY 128 Ca -0.04 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 1k6r n GLY 128 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k6r h GLU 129 N 0.00 1.09 -0.28 1.61 5.08 -1.89 -1.54 114.58 118.65 1k6r h GLU 129 Ca 0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1k6r h GLU 129 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1k6r h GLU 129 CO 0.00 0.90 0.02 0.28 -1.00 0.00 0.00 179.01 179.21 1k6r h VAL 130 N 1.06 1.25 -0.12 3.13 2.07 -2.00 -1.13 116.25 120.50 1k6r h VAL 130 Ca 0.24 -0.88 -0.17 0.00 0.82 0.00 0.00 66.70 66.71 1k6r h VAL 130 Cb 0.24 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1k6r h VAL 130 CO -0.02 0.28 -0.63 0.03 0.02 0.00 0.00 177.57 177.25 1k6r h ARG 131 N 0.28 0.45 -0.31 1.57 3.08 -1.75 -2.01 114.38 115.69 1k6r h ARG 131 Ca 0.08 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1k6r h ARG 131 Cb 0.40 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1k6r h ARG 131 CO 0.01 0.94 0.12 1.98 -1.07 0.00 0.00 179.97 181.94 1k6r h MET 132 N 0.33 0.47 -0.14 0.04 4.05 -1.22 -1.71 114.93 116.75 1k6r h MET 132 Ca -0.01 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1k6r h MET 132 Cb 1.18 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 1k6r h MET 132 CO 0.11 0.49 0.02 0.37 0.23 0.00 0.00 176.91 178.13 1k6r h GLN 133 N 0.35 0.07 -0.31 0.39 5.75 -1.14 -1.77 115.11 118.46 1k6r h GLN 133 Ca 0.10 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 1k6r h GLN 133 Cb 0.20 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.67 1k6r h GLN 133 CO -0.01 0.05 -0.14 -0.22 -2.65 0.00 0.00 178.83 175.86 1k6r h LYS 134 N 0.07 -0.08 -0.46 1.69 3.64 -1.13 -1.77 116.57 118.53 1k6r h LYS 134 Ca 0.06 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1k6r h LYS 134 Cb 0.06 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1k6r h LYS 134 CO -0.09 -0.06 -0.12 1.88 -2.27 0.00 0.00 179.45 178.79 1k6r h TYR 135 N -0.09 0.94 0.00 1.91 0.05 -1.15 -1.38 116.97 117.25 1k6r h TYR 135 Ca 0.16 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1k6r h TYR 135 Cb 0.33 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1k6r h TYR 135 CO -0.34 0.92 -0.18 -0.07 -1.05 0.00 0.00 178.16 177.44 1k6r h LEU 136 N 0.76 0.00 -0.02 3.88 3.38 -0.96 0.12 115.31 122.48 1k6r h LEU 136 Ca 0.12 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1k6r h LEU 136 Cb 0.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1k6r h LEU 136 CO 0.04 0.18 -0.71 0.50 0.09 0.00 0.00 178.44 178.54 1k6r h LYS 137 N 0.00 0.51 -0.24 1.13 3.64 -0.89 -0.94 116.57 119.79 1k6r h LYS 137 Ca -0.00 -0.53 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 1k6r h LYS 137 Cb 0.41 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1k6r h LYS 137 CO 0.02 1.16 -0.11 0.87 -2.27 0.00 0.00 179.45 179.12 1k6r h LYS 138 N 0.08 0.38 -0.01 1.90 1.57 -0.59 -2.33 116.57 117.57 1k6r h LYS 138 Ca -0.08 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1k6r h LYS 138 Cb 1.40 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1k6r h LYS 138 CO 0.14 0.50 -0.13 1.19 -0.57 0.00 0.00 179.45 180.58 1k6r n PHE 139 N -4.24 0.00 -3.90 -1.35 3.72 0.37 -4.74 117.46 107.31 1k6r n PHE 139 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 1k6r n PHE 139 Cb 0.29 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1k6r n PHE 139 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1k6r n SER 140 N -0.73 -0.97 -4.45 4.37 7.64 -0.65 -4.85 113.62 113.99 1k6r n SER 140 Ca 0.15 -0.99 -0.43 0.00 1.01 0.00 0.00 58.87 58.60 1k6r n SER 140 Cb 0.30 -3.17 -0.04 0.00 -1.01 0.00 0.00 64.21 60.29 1k6r n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k6r s TYR 141 N -3.88 2.75 0.00 1.43 5.04 -0.45 -4.96 117.35 117.28 1k6r s TYR 141 Ca 0.06 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1k6r s TYR 141 Cb -0.02 -4.28 0.00 0.00 0.35 0.00 0.00 41.96 38.01 1k6r s TYR 141 CO 0.88 -1.61 0.00 0.41 -1.34 0.00 0.00 175.55 173.89 1k6r n GLY 142 N 5.36 2.65 0.04 8.97 0.00 -1.26 -1.67 105.19 119.27 1k6r n GLY 142 Ca -0.01 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 0.94 0.18 -1.90 1.61 6.94 0.30 -4.90 115.26 118.43 1k6r n ASN 143 Ca 0.00 -0.33 -0.20 0.00 -0.02 0.00 0.00 54.58 54.02 1k6r n ASN 143 Cb 0.00 -0.19 -0.06 0.00 -2.36 0.00 0.00 39.78 37.17 1k6r n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k6r n GLN 144 N -1.16 -1.55 -3.07 -3.83 6.02 -0.67 -4.94 117.38 108.18 1k6r n GLN 144 Ca 0.15 1.11 -0.43 0.00 -0.01 0.00 0.00 57.00 57.82 1k6r n GLN 144 Cb 0.25 -5.60 -0.06 0.00 1.02 0.00 0.00 30.24 25.85 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 -2.46 6.34 -0.07 1.08 3.04 -1.26 -4.91 114.94 116.68 1k6r s ASN 145 Ca 0.00 -0.34 0.15 0.00 0.04 0.00 0.00 52.86 52.71 1k6r s ASN 145 Cb 0.00 -2.34 0.49 0.00 -1.54 0.00 0.00 41.25 37.86 1k6r s ASN 145 CO 0.00 -0.84 1.41 2.30 -3.04 0.00 0.00 177.10 176.92 1k6r n ILE 146 N 5.92 1.55 -1.14 -5.21 -5.35 -1.26 -2.55 119.36 111.32 1k6r n ILE 146 Ca -0.01 -1.28 -0.31 0.00 -0.27 0.00 0.00 62.75 60.88 1k6r n ILE 146 Cb 0.48 0.21 0.11 0.00 -1.74 0.00 0.00 39.64 38.70 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 -1.22 4.07 0.00 7.28 1.04 -1.26 -4.29 113.70 119.32 1k6r s SER 147 Ca 0.36 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1k6r s SER 147 Cb 0.24 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1k6r s SER 147 CO 0.17 -2.32 0.00 0.61 0.98 0.00 0.00 173.24 172.69 1k6r n GLY 148 N -0.92 0.96 0.00 7.32 0.00 -1.26 -4.06 105.19 107.23 1k6r n GLY 148 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.08 2.45 0.39 -0.02 0.00 -1.26 -4.56 105.19 100.12 1k6r n GLY 149 Ca 0.00 -1.11 0.21 0.00 0.00 0.00 0.00 46.02 45.12 1k6r n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k6r h ILE 150 N 0.00 0.48 -0.57 -0.61 6.09 -1.93 -1.67 117.51 119.30 1k6r h ILE 150 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1k6r h ILE 150 Cb 0.00 0.66 0.00 0.00 0.47 0.00 0.00 36.82 37.95 1k6r h ILE 150 CO 0.00 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.18 1k6r n ASP 151 N -3.93 3.89 0.00 2.19 5.75 -1.26 -4.59 116.55 118.60 1k6r n ASP 151 Ca 0.09 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1k6r n ASP 151 Cb 0.65 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 1.04 0.00 0.00 0.11 2.85 -0.70 -4.79 118.16 116.67 1k6r n LYS 152 Ca 0.21 -0.13 0.13 0.00 -1.05 0.00 0.00 58.31 57.48 1k6r n LYS 152 Cb 0.66 -0.27 0.58 0.00 -0.65 0.00 0.00 35.03 35.35 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 0.24 -0.00 5.58 -5.15 -1.61 0.50 116.94 116.50 1k6r h PHE 153 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 1k6r h PHE 153 Cb 0.74 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.83 1k6r h PHE 153 CO 0.00 0.12 -0.33 -2.67 -2.00 0.00 0.00 178.31 173.43 1k6r n TRP 154 N -4.46 0.00 -0.10 6.09 2.14 -1.26 -1.41 117.44 118.44 1k6r n TRP 154 Ca 0.07 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.52 1k6r n TRP 154 Cb 0.38 -0.17 -0.15 0.00 -0.81 0.00 0.00 31.31 30.57 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 -0.95 1.08 -0.03 5.67 4.77 0.02 -2.13 117.00 125.44 1k6r n LEU 155 Ca 0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1k6r n LEU 155 Cb 0.34 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1k6r n LEU 155 CO 0.29 0.65 0.08 -1.84 -1.33 0.00 0.00 177.39 175.24 1k6r n GLU 156 N -2.95 0.00 0.00 3.23 0.28 -0.32 -4.92 120.64 115.96 1k6r n GLU 156 Ca -0.36 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.48 1k6r n GLU 156 Cb 1.10 -0.15 0.00 0.00 1.43 0.00 0.00 31.44 33.82 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 0.94 1.02 -1.84 0.00 -0.50 -4.98 105.19 99.82 1k6r n GLY 157 Ca 0.00 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 2.35 -1.97 1.61 6.02 -1.25 -4.95 117.38 119.20 1k6r n GLN 158 Ca 0.00 -2.02 -0.42 0.00 -0.01 0.00 0.00 57.00 54.55 1k6r n GLN 158 Cb 0.00 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 1k6r n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1k6r s LEU 159 N -1.68 4.38 -0.01 1.08 2.96 -1.06 -4.73 118.68 119.62 1k6r s LEU 159 Ca 0.35 2.68 -0.02 0.00 -0.22 0.00 0.00 54.13 56.92 1k6r s LEU 159 Cb 0.21 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 1k6r s LEU 159 CO 0.31 -0.76 0.05 -0.13 -1.32 0.00 0.00 176.35 174.50 1k6r s ARG 160 N 0.06 0.16 -0.06 1.98 1.81 -1.26 -4.02 118.95 117.62 1k6r s ARG 160 Ca 0.63 -0.11 -0.16 0.00 -1.72 0.00 0.00 55.73 54.36 1k6r s ARG 160 Cb -0.43 0.07 0.03 0.00 -0.45 0.00 0.00 34.95 34.17 1k6r s ARG 160 CO 0.40 -0.03 0.37 -1.50 -0.68 0.00 0.00 175.30 173.87 1k6r s ILE 161 N -0.42 0.03 0.45 1.52 2.07 0.24 -0.54 121.20 124.54 1k6r s ILE 161 Ca -0.05 -0.28 0.05 0.00 -1.41 0.00 0.00 60.65 58.96 1k6r s ILE 161 Cb -0.03 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.93 1k6r s ILE 161 CO 0.00 -0.16 0.62 -0.94 -1.91 0.00 0.00 174.94 172.56 1k6r s SER 162 N -0.85 5.61 0.20 4.50 1.04 -1.25 -1.02 113.70 121.93 1k6r s SER 162 Ca -0.09 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.04 1k6r s SER 162 Cb -0.04 -0.88 0.14 0.00 0.10 0.00 0.00 66.02 65.34 1k6r s SER 162 CO 0.04 -0.82 1.78 0.00 0.98 0.00 0.00 173.24 175.22 1k6r h ALA 163 N 0.49 0.98 -0.08 5.32 0.00 -1.70 0.24 119.26 124.52 1k6r h ALA 163 Ca -0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1k6r h ALA 163 Cb 1.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1k6r h ALA 163 CO 0.49 0.58 0.05 0.28 0.00 0.00 0.00 179.25 180.65 1k6r h VAL 164 N 1.08 1.03 -0.63 0.00 2.07 -1.78 -1.37 116.25 116.65 1k6r h VAL 164 Ca 0.26 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 1k6r h VAL 164 Cb 0.17 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1k6r h VAL 164 CO -0.03 0.02 0.21 -1.13 0.02 0.00 0.00 177.57 176.66 1k6r h ASN 165 N 0.10 0.87 -0.38 0.57 -0.00 -1.77 -1.24 115.58 113.74 1k6r h ASN 165 Ca 0.03 -0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1k6r h ASN 165 Cb -0.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.07 1k6r h ASN 165 CO -0.01 0.81 0.24 1.56 -0.00 0.00 0.00 177.43 180.04 1k6r h GLN 166 N 0.92 0.51 -0.72 6.67 1.08 -0.67 0.29 115.11 123.18 1k6r h GLN 166 Ca 0.21 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1k6r h GLN 166 Cb 0.25 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1k6r h GLN 166 CO -0.01 0.36 0.39 0.28 -0.95 0.00 0.00 178.83 178.89 1k6r h VAL 167 N 0.51 1.22 -0.50 -0.54 2.07 -0.77 0.14 116.25 118.37 1k6r h VAL 167 Ca 0.14 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1k6r h VAL 167 Cb -0.03 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1k6r h VAL 167 CO -0.03 0.25 0.15 -0.33 0.02 0.00 0.00 177.57 177.63 1k6r h GLU 168 N 0.99 0.79 -0.32 1.57 5.08 -0.94 -0.76 114.58 120.98 1k6r h GLU 168 Ca 0.25 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1k6r h GLU 168 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1k6r h GLU 168 CO -0.04 0.74 0.17 0.35 -1.00 0.00 0.00 179.01 179.24 1k6r h PHE 169 N 0.68 0.45 -0.40 4.33 3.57 -0.45 -1.82 116.94 123.30 1k6r h PHE 169 Ca 0.16 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1k6r h PHE 169 Cb 0.29 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1k6r h PHE 169 CO 0.02 0.37 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.37 1k6r h LEU 170 N 0.40 0.63 -0.27 0.59 3.38 -0.55 -2.21 115.31 117.27 1k6r h LEU 170 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1k6r h LEU 170 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1k6r h LEU 170 CO -0.02 0.71 0.14 -0.08 0.09 0.00 0.00 178.44 179.28 1k6r h GLU 171 N 0.62 0.39 -0.56 1.13 4.81 -0.85 0.55 114.58 120.67 1k6r h GLU 171 Ca 0.12 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1k6r h GLU 171 Cb 0.42 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1k6r h GLU 171 CO 0.02 0.36 0.26 0.77 -0.73 0.00 0.00 179.01 179.69 1k6r h SER 172 N 0.32 0.34 0.01 1.04 0.02 -1.04 -0.81 113.55 113.43 1k6r h SER 172 Ca 0.10 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1k6r h SER 172 Cb 0.10 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1k6r h SER 172 CO -0.01 0.23 -0.05 0.25 -1.14 0.00 0.00 176.83 176.11 1k6r h LEU 173 N 0.49 -0.13 -1.29 5.07 5.85 -0.97 0.26 115.31 124.59 1k6r h LEU 173 Ca 0.26 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.13 1k6r h LEU 173 Cb 0.22 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1k6r h LEU 173 CO -0.21 -0.07 0.57 0.22 -0.34 0.00 0.00 178.44 178.61 1k6r h TYR 174 N -0.08 0.82 -0.01 1.25 3.20 -0.29 -0.77 116.97 121.10 1k6r h TYR 174 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1k6r h TYR 174 Cb 0.10 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1k6r h TYR 174 CO -0.12 0.32 -0.22 1.28 -1.64 0.00 0.00 178.16 177.79 1k6r n LEU 175 N -4.55 0.85 -1.45 2.82 4.77 -0.36 -4.93 117.00 114.15 1k6r n LEU 175 Ca 0.17 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1k6r n LEU 175 Cb 0.44 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1k6r n LEU 175 CO 0.30 0.16 -0.16 0.59 -1.33 0.00 0.00 177.39 176.95 1k6r n ASN 176 N -0.76 -4.03 -0.31 -1.43 3.02 0.01 -4.92 115.26 106.85 1k6r n ASN 176 Ca 0.13 -0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 1k6r n ASN 176 Cb 0.33 -3.21 0.26 0.00 -0.61 0.00 0.00 39.78 36.55 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 -2.24 0.91 -1.47 3.52 4.76 0.71 -4.87 118.16 119.47 1k6r n LYS 177 Ca -0.15 -0.62 -0.32 0.00 -2.87 0.00 0.00 58.31 54.36 1k6r n LYS 177 Cb 0.61 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.38 1k6r n LYS 177 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k6r s LEU 178 N -2.52 3.17 -1.16 -0.35 1.43 -1.24 -4.87 118.68 113.14 1k6r s LEU 178 Ca 0.22 1.85 -0.20 0.00 -1.03 0.00 0.00 54.13 54.98 1k6r s LEU 178 Cb 0.19 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 1k6r s LEU 178 CO 0.55 -1.82 1.95 -1.20 0.23 0.00 0.00 176.35 176.05 1k6r n SER 179 N -3.09 3.56 -3.45 2.29 7.64 -1.26 -4.78 113.62 114.53 1k6r n SER 179 Ca 0.09 -2.78 -0.11 0.00 1.01 0.00 0.00 58.87 57.08 1k6r n SER 179 Cb 0.53 -1.56 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 1k6r n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k6r s ALA 180 N 6.08 -1.67 0.63 -0.43 0.00 -1.26 -5.06 121.76 120.05 1k6r s ALA 180 Ca 0.57 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 1k6r s ALA 180 Cb 0.08 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1k6r s ALA 180 CO 0.07 -0.74 1.29 -1.54 0.00 0.00 0.00 175.76 174.84 1k6r s SER 181 N -2.65 4.74 0.35 0.00 1.04 -1.26 -4.86 113.70 111.06 1k6r s SER 181 Ca 0.02 2.61 0.02 0.00 0.48 0.00 0.00 55.95 59.08 1k6r s SER 181 Cb -0.01 -2.62 0.63 0.00 0.10 0.00 0.00 66.02 64.12 1k6r s SER 181 CO -0.12 -1.91 2.01 0.50 0.98 0.00 0.00 173.24 174.70 1k6r h LYS 182 N 0.68 0.83 0.09 4.02 3.64 -1.94 -2.28 116.57 121.62 1k6r h LYS 182 Ca -0.51 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1k6r h LYS 182 Cb 1.33 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1k6r h LYS 182 CO 0.54 0.56 -0.39 1.49 -2.27 0.00 0.00 179.45 179.37 1k6r h GLU 183 N 0.86 -0.58 -0.42 1.90 4.81 -1.99 0.16 114.58 119.31 1k6r h GLU 183 Ca 0.23 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1k6r h GLU 183 Cb -0.09 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1k6r h GLU 183 CO -0.05 -0.39 0.08 -0.91 -0.73 0.00 0.00 179.01 177.02 1k6r h ASN 184 N -0.60 0.59 -0.38 1.04 2.35 -1.84 -1.11 115.58 115.63 1k6r h ASN 184 Ca 0.03 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1k6r h ASN 184 Cb 0.65 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1k6r h ASN 184 CO -0.25 0.61 -0.18 1.56 -1.65 0.00 0.00 177.43 177.52 1k6r h GLN 185 N 0.62 0.86 -0.57 0.81 4.20 -0.86 -2.31 115.11 117.86 1k6r h GLN 185 Ca 0.14 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 1k6r h GLN 185 Cb 0.27 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1k6r h GLN 185 CO 0.00 0.97 0.01 -0.07 -0.67 0.00 0.00 178.83 179.07 1k6r h LEU 186 N 0.76 0.98 -0.33 1.46 3.38 -0.08 -1.55 115.31 119.93 1k6r h LEU 186 Ca 0.11 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1k6r h LEU 186 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1k6r h LEU 186 CO 0.05 1.04 0.21 0.40 0.09 0.00 0.00 178.44 180.24 1k6r h ILE 187 N 0.89 1.08 -0.47 1.22 2.04 -1.06 -1.43 117.51 119.78 1k6r h ILE 187 Ca 0.16 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.75 1k6r h ILE 187 Cb 0.53 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1k6r h ILE 187 CO 0.03 0.08 -0.19 0.58 0.00 0.00 0.00 178.15 178.65 1k6r h VAL 188 N 0.43 1.27 -0.51 1.67 2.07 -1.29 -2.51 116.25 117.38 1k6r h VAL 188 Ca 0.12 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1k6r h VAL 188 Cb -0.04 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1k6r h VAL 188 CO -0.03 0.46 0.32 0.11 0.02 0.00 0.00 177.57 178.45 1k6r h LYS 189 N 0.82 0.68 -0.57 1.57 1.57 -1.00 -1.93 116.57 117.70 1k6r h LYS 189 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1k6r h LYS 189 Cb 0.74 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1k6r h LYS 189 CO 0.06 0.48 0.19 1.49 -0.57 0.00 0.00 179.45 181.09 1k6r h GLU 190 N 0.68 0.85 0.00 3.15 4.81 -1.16 -1.29 114.58 121.63 1k6r h GLU 190 Ca 0.18 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1k6r h GLU 190 Cb -0.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1k6r h GLU 190 CO -0.04 0.73 0.00 0.00 -0.73 0.00 0.00 179.01 178.98 1k6r h ALA 191 N 1.37 1.00 -0.09 2.92 0.00 -0.92 -2.38 119.26 121.15 1k6r h ALA 191 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1k6r h ALA 191 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k6r h ALA 191 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1k6r n LEU 192 N -2.97 2.06 -4.71 0.00 4.77 -0.49 -4.80 117.00 110.87 1k6r n LEU 192 Ca -0.01 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.79 1k6r n LEU 192 Cb 0.16 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1k6r n LEU 192 CO 0.22 0.38 1.20 -0.69 -1.33 0.00 0.00 177.39 177.17 1k6r s VAL 193 N -1.90 3.02 0.00 4.08 1.01 -0.90 -1.03 120.40 124.69 1k6r s VAL 193 Ca 0.35 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1k6r s VAL 193 Cb 0.20 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1k6r s VAL 193 CO 0.31 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.79 1k6r n THR 194 N 4.24 0.00 -3.71 3.92 -2.24 0.67 -4.89 114.28 112.26 1k6r n THR 194 Ca 0.14 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1k6r n THR 194 Cb 0.41 0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.48 0.37 -0.06 -0.78 2.12 -1.12 -5.01 118.70 112.74 1k6r s GLU 195 Ca 0.00 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.06 1k6r s GLU 195 Cb 0.00 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1k6r s GLU 195 CO 0.00 -0.14 -0.18 0.00 -0.54 0.00 0.00 175.26 174.40 1k6r s ALA 196 N 1.15 1.63 0.03 6.30 0.00 -1.26 -0.09 121.76 129.52 1k6r s ALA 196 Ca -0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1k6r s ALA 196 Cb -0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1k6r s ALA 196 CO -0.10 0.25 0.09 0.00 0.00 0.00 0.00 175.76 176.01 1k6r s ALA 197 N 0.22 -0.09 0.30 0.00 0.00 -0.11 -5.03 121.76 117.05 1k6r s ALA 197 Ca -0.09 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1k6r s ALA 197 Cb -0.14 0.21 0.73 0.00 0.00 0.00 0.00 23.12 23.92 1k6r s ALA 197 CO 0.04 -0.28 1.78 -1.35 0.00 0.00 0.00 175.76 175.94 1k6r h PRO 198 N 3.87 0.75 0.00 0.00 0.11 -2.02 -2.24 132.00 132.47 1k6r h PRO 198 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1k6r h PRO 198 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1k6r h PRO 198 CO 0.48 0.50 -0.68 0.93 -0.21 0.00 0.00 178.00 179.01 1k6r h GLU 199 N 0.77 0.00 -2.43 1.05 3.07 -1.97 -3.48 114.58 111.60 1k6r h GLU 199 Ca 0.58 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.35 1k6r h GLU 199 Cb 0.88 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.58 1k6r h GLU 199 CO -0.38 0.00 -0.03 1.52 -1.40 0.00 0.00 179.01 178.72 1k6r s TYR 200 N -3.27 -0.51 -0.15 4.33 -0.85 -0.84 -3.36 117.35 112.70 1k6r s TYR 200 Ca 0.03 1.04 -0.00 0.00 -0.52 0.00 0.00 57.07 57.62 1k6r s TYR 200 Cb 0.10 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 1k6r s TYR 200 CO 0.74 -0.43 -0.14 -1.17 -1.52 0.00 0.00 175.55 173.04 1k6r s LEU 201 N -0.64 2.60 -0.19 -3.49 2.96 -0.42 -0.94 118.68 118.56 1k6r s LEU 201 Ca -0.07 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1k6r s LEU 201 Cb -0.03 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1k6r s LEU 201 CO 0.05 0.12 0.01 -0.69 -1.32 0.00 0.00 176.35 174.52 1k6r s VAL 202 N 0.63 4.15 -0.15 1.68 1.01 0.88 -0.99 120.40 127.61 1k6r s VAL 202 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1k6r s VAL 202 Cb -0.16 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1k6r s VAL 202 CO 0.03 0.44 -0.12 -1.00 0.00 0.00 0.00 175.10 174.45 1k6r s HIS 203 N 0.79 2.84 0.26 5.22 3.76 -0.61 -0.24 115.29 127.31 1k6r s HIS 203 Ca 0.01 -0.75 -0.19 0.00 -0.15 0.00 0.00 55.06 53.98 1k6r s HIS 203 Cb -0.14 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.67 1k6r s HIS 203 CO 0.02 -0.31 0.64 -1.54 -0.85 0.00 0.00 174.74 172.70 1k6r s SER 204 N 0.61 -0.23 -0.17 1.40 1.04 -0.19 -0.77 113.70 115.40 1k6r s SER 204 Ca -0.07 -0.65 -0.09 0.00 0.48 0.00 0.00 55.95 55.62 1k6r s SER 204 Cb -0.15 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.70 1k6r s SER 204 CO 0.03 -1.26 0.40 -0.75 0.98 0.00 0.00 173.24 172.64 1k6r s LYS 205 N -3.93 0.37 0.40 4.02 2.47 0.09 -4.82 119.74 118.34 1k6r s LYS 205 Ca 0.13 0.79 0.03 0.00 -1.56 0.00 0.00 55.97 55.36 1k6r s LYS 205 Cb -0.04 -0.01 -0.01 0.00 -1.46 0.00 0.00 37.83 36.32 1k6r s LYS 205 CO 0.06 -0.17 0.59 0.95 0.16 0.00 0.00 175.35 176.94 1k6r s THR 206 N 1.50 4.11 0.06 3.43 -4.23 -1.26 -2.03 115.64 117.22 1k6r s THR 206 Ca -0.09 -0.69 -0.21 0.00 -1.18 0.00 0.00 61.69 59.52 1k6r s THR 206 Cb -0.09 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 70.32 1k6r s THR 206 CO -0.12 -0.28 0.50 -0.83 -0.54 0.00 0.00 174.62 173.35 1k6r s GLY 207 N -4.19 -0.41 -0.27 3.99 0.00 -0.95 -3.75 107.32 101.74 1k6r s GLY 207 Ca 0.46 0.50 -0.08 0.00 0.00 0.00 0.00 44.72 45.61 1k6r s GLY 207 CO 0.35 0.21 0.57 -0.12 0.00 0.00 0.00 173.10 174.11 1k6r s PHE 208 N -2.66 -1.20 -0.36 1.90 5.36 -1.26 -0.16 117.98 119.60 1k6r s PHE 208 Ca -0.04 1.96 0.25 0.00 -0.96 0.00 0.00 56.93 58.14 1k6r s PHE 208 Cb -0.00 0.60 0.51 0.00 -0.34 0.00 0.00 43.02 43.79 1k6r s PHE 208 CO -0.03 -0.65 1.67 0.66 -1.46 0.00 0.00 175.22 175.41 1k6r h SER 209 N 8.06 0.00 -4.50 6.13 4.64 -1.51 -3.43 113.55 122.94 1k6r h SER 209 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1k6r h SER 209 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1k6r h SER 209 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1k6r n GLY 210 N 0.93 0.95 0.00 -0.77 0.00 -1.26 -4.82 105.19 100.23 1k6r n GLY 210 Ca 0.03 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.42 0.37 -3.19 1.61 0.24 -1.26 -3.72 118.33 110.96 1k6r n VAL 211 Ca 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1k6r n VAL 211 Cb 0.00 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 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 0.96 -1.83 1.77 7.63 0.00 -1.26 -3.66 105.19 108.80 1k6r n GLY 212 Ca 0.06 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 0.00 -1.49 2.61 -2.24 -0.48 -4.92 114.28 107.76 1k6r n THR 213 Ca 0.00 -1.12 -0.50 0.00 -2.27 0.00 0.00 64.05 60.16 1k6r n THR 213 Cb 0.00 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 1k6r n THR 213 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k6r n GLU 214 N -0.74 1.26 -3.72 -0.78 4.07 -1.26 -1.73 120.64 117.74 1k6r n GLU 214 Ca -0.08 0.36 -0.28 0.00 -0.06 0.00 0.00 57.16 57.10 1k6r n GLU 214 Cb 0.31 -2.55 0.03 0.00 -0.06 0.00 0.00 31.44 29.17 1k6r n GLU 214 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1k6r n SER 215 N 9.65 -3.72 -2.71 4.31 7.64 -1.26 -4.92 113.62 122.62 1k6r n SER 215 Ca 0.38 -0.97 -0.06 0.00 1.01 0.00 0.00 58.87 59.23 1k6r n SER 215 Cb 0.25 -3.50 0.06 0.00 -1.01 0.00 0.00 64.21 60.02 1k6r n SER 215 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1k6r n ASN 216 N -2.82 -2.08 -4.58 6.43 5.15 -0.71 -5.16 115.26 111.49 1k6r n ASN 216 Ca -0.17 -2.54 -0.34 0.00 -0.60 0.00 0.00 54.58 50.93 1k6r n ASN 216 Cb 0.63 1.28 0.11 0.00 -0.53 0.00 0.00 39.78 41.26 1k6r n ASN 216 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1k6r n PRO 217 N 1.54 0.12 -1.80 1.20 -0.04 -1.26 -1.39 135.00 133.38 1k6r n PRO 217 Ca 0.05 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 1k6r n PRO 217 Cb 0.67 -2.18 0.13 0.00 -0.04 0.00 0.00 33.50 32.08 1k6r n PRO 217 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k6r n GLY 218 N 1.00 -0.42 3.31 0.55 0.00 -0.07 -4.76 105.19 104.79 1k6r n GLY 218 Ca 0.11 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.84 1.97 -0.04 1.61 0.11 -1.26 -0.56 120.40 119.38 1k6r s VAL 219 Ca 0.56 -1.30 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1k6r s VAL 219 Cb -0.02 -1.69 -0.02 0.00 -1.53 0.00 0.00 36.38 33.12 1k6r s VAL 219 CO 0.38 0.33 -0.21 0.00 -3.33 0.00 0.00 175.10 172.27 1k6r s ALA 220 N -0.78 2.38 0.23 1.54 0.00 0.13 -1.25 121.76 124.00 1k6r s ALA 220 Ca 0.10 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.11 1k6r s ALA 220 Cb -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1k6r s ALA 220 CO 0.02 0.52 -0.16 -1.58 0.00 0.00 0.00 175.76 174.55 1k6r s TRP 221 N -0.57 1.91 -0.29 0.00 0.52 0.78 -1.19 118.94 120.09 1k6r s TRP 221 Ca 0.08 -0.49 -0.01 0.00 0.02 0.00 0.00 56.10 55.71 1k6r s TRP 221 Cb -0.11 -0.86 0.18 0.00 -1.15 0.00 0.00 33.47 31.53 1k6r s TRP 221 CO 0.00 0.48 0.58 -0.46 0.02 0.00 0.00 176.95 177.57 1k6r s TRP 222 N -2.80 -1.54 0.15 -1.98 -0.00 -0.22 -2.25 118.94 110.30 1k6r s TRP 222 Ca 0.25 1.59 0.06 0.00 -0.00 0.00 0.00 56.10 58.00 1k6r s TRP 222 Cb -0.02 0.50 -0.04 0.00 -0.00 0.00 0.00 33.47 33.90 1k6r s TRP 222 CO 0.10 -0.87 -0.13 0.14 -0.00 0.00 0.00 176.95 176.18 1k6r s VAL 223 N 2.82 1.41 -4.92 5.86 -7.23 -0.86 -0.30 120.40 117.18 1k6r s VAL 223 Ca 0.20 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1k6r s VAL 223 Cb -0.15 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1k6r s VAL 223 CO -0.21 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 1k6r n GLY 224 N 0.12 -0.54 3.33 2.32 0.00 -0.78 -0.73 105.19 108.91 1k6r n GLY 224 Ca -0.12 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.26 -0.16 1.61 -2.14 0.06 -1.14 118.94 113.89 1k6r s TRP 225 Ca 0.00 0.12 0.01 0.00 2.66 0.00 0.00 56.10 58.89 1k6r s TRP 225 Cb 0.00 0.26 0.01 0.00 -3.10 0.00 0.00 33.47 30.64 1k6r s TRP 225 CO 0.00 -0.64 -0.19 0.08 -2.66 0.00 0.00 176.95 173.54 1k6r s VAL 226 N -3.06 2.26 -0.39 -0.66 1.01 0.13 -1.58 120.40 118.11 1k6r s VAL 226 Ca -0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1k6r s VAL 226 Cb 0.00 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1k6r s VAL 226 CO -0.07 0.53 0.29 -1.61 0.00 0.00 0.00 175.10 174.25 1k6r s GLU 227 N 1.04 3.13 0.03 2.72 2.02 -0.16 -0.93 118.70 126.55 1k6r s GLU 227 Ca -0.01 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1k6r s GLU 227 Cb -0.14 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.16 1k6r s GLU 227 CO -0.06 -0.67 0.04 1.63 0.02 0.00 0.00 175.26 176.22 1k6r n LYS 228 N 5.17 1.02 -0.05 1.61 5.02 0.10 -1.30 118.16 129.73 1k6r n LYS 228 Ca -0.11 -0.15 -0.08 0.00 -2.02 0.00 0.00 58.31 55.95 1k6r n LYS 228 Cb 0.48 -0.01 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 1k6r n LYS 228 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1k6r h GLU 229 N 0.00 -0.22 0.00 1.97 5.08 -1.93 -3.34 114.58 116.14 1k6r h GLU 229 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k6r h GLU 229 Cb 0.06 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1k6r h GLU 229 CO 0.02 -0.15 -0.32 0.25 -1.00 0.00 0.00 179.01 177.81 1k6r n THR 230 N -5.37 0.11 -3.88 1.13 -2.24 -1.26 -5.09 114.28 97.68 1k6r n THR 230 Ca -0.01 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1k6r n THR 230 Cb 0.29 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.16 0.28 -0.03 -0.78 2.56 -1.26 -5.10 118.70 114.22 1k6r s GLU 231 Ca 0.02 -0.20 0.06 0.00 0.00 0.00 0.00 54.97 54.85 1k6r s GLU 231 Cb 0.01 0.12 -0.01 0.00 2.00 0.00 0.00 34.13 36.25 1k6r s GLU 231 CO 0.00 -0.06 -0.20 0.54 -0.56 0.00 0.00 175.26 174.98 1k6r s VAL 232 N -0.74 1.63 -0.08 3.70 0.11 -1.26 0.01 120.40 123.76 1k6r s VAL 232 Ca -0.08 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.15 1k6r s VAL 232 Cb -0.05 -1.36 -0.00 0.00 -1.53 0.00 0.00 36.38 33.43 1k6r s VAL 232 CO 0.00 0.46 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.69 1k6r s TYR 233 N -0.33 2.43 -0.10 1.54 2.02 -0.10 -1.16 117.35 121.65 1k6r s TYR 233 Ca 0.04 -0.87 -0.02 0.00 -0.37 0.00 0.00 57.07 55.85 1k6r s TYR 233 Cb -0.09 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1k6r s TYR 233 CO 0.00 -0.32 -0.02 -0.06 -1.57 0.00 0.00 175.55 173.59 1k6r s PHE 234 N 0.12 3.08 0.06 2.71 0.08 -0.31 0.17 117.98 123.88 1k6r s PHE 234 Ca -0.12 0.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 1k6r s PHE 234 Cb -0.16 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1k6r s PHE 234 CO 0.06 0.30 0.04 -0.59 -0.10 0.00 0.00 175.22 174.93 1k6r s PHE 235 N -0.50 0.38 -0.20 0.36 -0.71 -0.29 -0.77 117.98 116.25 1k6r s PHE 235 Ca 0.08 -0.86 -0.10 0.00 -1.04 0.00 0.00 56.93 55.01 1k6r s PHE 235 Cb -0.12 -0.27 0.07 0.00 -1.21 0.00 0.00 43.02 41.49 1k6r s PHE 235 CO 0.02 -0.41 0.47 0.00 -1.34 0.00 0.00 175.22 173.96 1k6r s ALA 236 N -3.66 -1.26 -0.00 1.99 0.00 -0.57 -1.87 121.76 116.39 1k6r s ALA 236 Ca 0.04 1.73 0.03 0.00 0.00 0.00 0.00 51.96 53.76 1k6r s ALA 236 Cb 0.05 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1k6r s ALA 236 CO -0.09 -0.37 -0.09 0.12 0.00 0.00 0.00 175.76 175.33 1k6r s PHE 237 N 1.66 0.76 0.01 0.00 2.19 0.59 -0.91 117.98 122.28 1k6r s PHE 237 Ca -0.08 -0.17 -0.16 0.00 0.33 0.00 0.00 56.93 56.85 1k6r s PHE 237 Cb -0.08 -0.49 0.03 0.00 -1.31 0.00 0.00 43.02 41.17 1k6r s PHE 237 CO -0.14 -0.01 0.34 0.54 1.83 0.00 0.00 175.22 177.77 1k6r s ASN 238 N -0.33 -0.20 0.11 6.13 2.20 -0.89 -1.06 114.94 120.90 1k6r s ASN 238 Ca 0.02 0.01 -0.13 0.00 -0.94 0.00 0.00 52.86 51.83 1k6r s ASN 238 Cb -0.04 0.35 0.02 0.00 -2.00 0.00 0.00 41.25 39.58 1k6r s ASN 238 CO -0.00 -0.53 0.30 0.00 -2.94 0.00 0.00 177.10 173.93 1k6r s MET 239 N -1.85 0.97 0.42 3.55 0.23 -0.34 -0.57 119.30 121.71 1k6r s MET 239 Ca -0.10 -0.82 -0.18 0.00 -1.03 0.00 0.00 55.69 53.55 1k6r s MET 239 Cb -0.03 0.41 -0.10 0.00 -1.53 0.00 0.00 34.83 33.58 1k6r s MET 239 CO 0.01 -0.35 0.90 -0.51 -2.03 0.00 0.00 175.02 173.04 1k6r s ASP 240 N -2.83 6.83 -0.27 -1.18 1.01 -0.44 -0.70 116.67 119.10 1k6r s ASP 240 Ca 0.04 1.55 -0.18 0.00 0.71 0.00 0.00 52.55 54.68 1k6r s ASP 240 Cb 0.03 -2.49 0.08 0.00 1.01 0.00 0.00 42.92 41.55 1k6r s ASP 240 CO -0.11 -0.36 0.67 -0.51 0.21 0.00 0.00 175.17 175.06 1k6r s ILE 241 N -2.22 -0.00 -0.25 0.77 2.07 0.27 -4.77 121.20 117.08 1k6r s ILE 241 Ca 0.59 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.87 1k6r s ILE 241 Cb -0.09 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.53 1k6r s ILE 241 CO 0.18 0.00 0.38 -0.90 -1.91 0.00 0.00 174.94 172.69 1k6r n ASP 242 N 3.90 0.75 -3.75 4.50 5.68 -1.26 -0.89 116.55 125.48 1k6r n ASP 242 Ca -0.19 -0.88 -0.16 0.00 -0.50 0.00 0.00 54.79 53.06 1k6r n ASP 242 Cb 0.58 0.43 -0.16 0.00 -1.14 0.00 0.00 41.12 40.82 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 -0.66 0.35 0.39 -1.12 3.84 -1.26 -4.75 114.94 111.73 1k6r s ASN 243 Ca 0.02 0.04 0.23 0.00 0.21 0.00 0.00 52.86 53.36 1k6r s ASN 243 Cb 0.02 -0.10 1.25 0.00 -0.55 0.00 0.00 41.25 41.87 1k6r s ASN 243 CO 0.06 -0.15 1.68 -0.08 -2.79 0.00 0.00 177.10 175.82 1k6r h GLU 244 N 7.55 0.00 0.00 0.43 4.81 -1.95 -0.92 114.58 124.50 1k6r h GLU 244 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1k6r h GLU 244 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1k6r h GLU 244 CO 0.41 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 1k6r n SER 245 N -2.35 0.00 -0.00 1.04 3.41 -1.26 -2.92 113.62 111.54 1k6r n SER 245 Ca -0.02 -1.20 0.10 0.00 -0.26 0.00 0.00 58.87 57.50 1k6r n SER 245 Cb 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1k6r n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k6r n LYS 246 N -0.85 0.17 -0.32 4.33 4.76 -0.35 -4.60 118.16 121.30 1k6r n LYS 246 Ca 0.15 -0.04 0.18 0.00 -2.87 0.00 0.00 58.31 55.73 1k6r n LYS 246 Cb 0.07 -1.51 0.36 0.00 -1.84 0.00 0.00 35.03 32.11 1k6r n LYS 246 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1k6r h LEU 247 N 0.00 -0.03 -1.75 -0.35 -0.00 -1.72 -0.91 115.31 110.55 1k6r h LEU 247 Ca 0.00 0.23 0.31 0.00 -0.00 0.00 0.00 57.88 58.42 1k6r h LEU 247 Cb 0.63 0.32 -0.06 0.00 -0.00 0.00 0.00 40.66 41.54 1k6r h LEU 247 CO 0.00 -0.26 0.76 -0.65 -0.00 0.00 0.00 178.44 178.29 1k6r h PRO 248 N 0.13 0.14 -0.21 1.13 0.11 -1.86 0.28 132.00 131.72 1k6r h PRO 248 Ca 0.63 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.69 1k6r h PRO 248 Cb 1.40 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1k6r h PRO 248 CO -0.75 0.10 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.01 1k6r h LEU 249 N 0.15 0.30 -2.02 2.35 3.38 -1.51 -1.92 115.31 116.03 1k6r h LEU 249 Ca 0.56 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.62 1k6r h LEU 249 Cb 1.93 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1k6r h LEU 249 CO -0.12 0.40 0.39 -0.09 0.09 0.00 0.00 178.44 179.11 1k6r h ARG 250 N 0.31 0.00 0.00 1.13 1.12 -0.57 -2.31 114.38 114.05 1k6r h ARG 250 Ca 0.07 0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.67 1k6r h ARG 250 Cb 0.31 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 1k6r h ARG 250 CO 0.01 0.00 -2.01 1.63 -3.11 0.00 0.00 179.97 176.50 1k6r n LYS 251 N -4.13 0.44 -0.11 0.20 5.02 -1.04 -4.50 118.16 114.04 1k6r n LYS 251 Ca 0.09 0.10 -0.07 0.00 -2.02 0.00 0.00 58.31 56.41 1k6r n LYS 251 Cb 0.60 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1k6r n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k6r h SER 252 N -0.01 0.32 0.47 4.39 4.64 -1.21 0.74 113.55 122.89 1k6r h SER 252 Ca -0.39 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.91 1k6r h SER 252 Cb 1.61 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1k6r h SER 252 CO -0.06 0.23 -0.23 0.40 -0.87 0.00 0.00 176.83 176.30 1k6r h ILE 253 N 0.42 0.53 -0.80 0.95 2.04 -1.68 0.39 117.51 119.36 1k6r h ILE 253 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1k6r h ILE 253 Cb 0.03 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1k6r h ILE 253 CO -0.09 0.00 0.48 -0.65 0.00 0.00 0.00 178.15 177.89 1k6r h PRO 254 N -0.64 1.09 -0.18 2.37 0.11 -1.76 -1.24 132.00 131.75 1k6r h PRO 254 Ca -0.06 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1k6r h PRO 254 Cb 0.49 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1k6r h PRO 254 CO 0.10 0.77 0.10 1.15 -0.21 0.00 0.00 178.00 179.91 1k6r h THR 255 N 1.10 1.11 -0.84 -1.15 2.02 -0.67 0.24 112.91 114.73 1k6r h THR 255 Ca 0.29 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1k6r h THR 255 Cb -0.03 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1k6r h THR 255 CO -0.05 0.11 0.55 0.50 0.37 0.00 0.00 175.52 177.00 1k6r h LYS 256 N 0.19 1.03 0.18 6.66 3.64 0.09 0.18 116.57 128.54 1k6r h LYS 256 Ca 0.06 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1k6r h LYS 256 Cb 0.09 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1k6r h LYS 256 CO -0.01 0.68 -0.09 0.82 -2.27 0.00 0.00 179.45 178.59 1k6r h ILE 257 N 1.06 0.93 -0.05 2.00 2.04 -0.80 -1.82 117.51 120.87 1k6r h ILE 257 Ca 0.33 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1k6r h ILE 257 Cb -0.01 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1k6r h ILE 257 CO -0.09 0.16 -0.09 0.24 0.00 0.00 0.00 178.15 178.37 1k6r h MET 258 N -0.62 0.08 -0.60 2.37 2.86 -0.69 -0.34 114.93 117.99 1k6r h MET 258 Ca -0.02 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1k6r h MET 258 Cb 0.45 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1k6r h MET 258 CO 0.04 0.18 0.14 0.93 1.06 0.00 0.00 176.91 179.26 1k6r h GLU 259 N 0.08 0.96 -0.82 1.72 5.08 -0.58 -1.33 114.58 119.69 1k6r h GLU 259 Ca 0.02 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1k6r h GLU 259 Cb 0.21 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1k6r h GLU 259 CO 0.01 0.89 0.54 1.03 -1.00 0.00 0.00 179.01 180.48 1k6r h SER 260 N 0.88 0.92 0.04 1.42 0.87 -0.20 -1.25 113.55 116.24 1k6r h SER 260 Ca 0.19 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1k6r h SER 260 Cb 0.36 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1k6r h SER 260 CO 0.00 0.66 -0.00 -0.62 -0.53 0.00 0.00 176.83 176.34 1k6r n GLU 261 N -4.42 1.00 -1.04 2.24 -0.58 -0.74 -4.88 120.64 112.21 1k6r n GLU 261 Ca 0.10 -0.07 -0.02 0.00 -0.42 0.00 0.00 57.16 56.75 1k6r n GLU 261 Cb 0.05 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 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 1.04 0.48 0.12 0.62 0.00 -0.47 -4.92 105.19 102.06 1k6r n GLY 262 Ca 0.23 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 1.45 0.00 -0.61 2.04 -1.47 -3.49 117.51 115.43 1k6r h ILE 263 Ca -0.03 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1k6r h ILE 263 Cb 0.32 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1k6r h ILE 263 CO 0.05 0.53 0.00 2.30 0.00 0.00 0.00 178.15 181.02