#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kr6 s THR 2 N 0.00 5.10 0.00 7.28 2.01 -1.26 -5.01 115.64 123.76 1kr6 s THR 2 Ca 0.00 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1kr6 s THR 2 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1kr6 s THR 2 CO 0.00 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1kr6 n GLY 3 N 3.48 1.56 3.69 4.40 0.00 -1.26 -4.79 105.19 112.28 1kr6 n GLY 3 Ca -0.04 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1kr6 n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kr6 s THR 4 N -2.48 5.24 0.15 2.61 2.01 -0.35 -4.84 115.64 117.97 1kr6 s THR 4 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1kr6 s THR 4 Cb 0.00 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 69.04 1kr6 s THR 4 CO 0.00 0.42 1.25 -0.44 -0.69 0.00 0.00 174.62 175.16 1kr6 s SER 5 N 0.52 7.01 0.19 3.53 0.01 -1.26 -0.08 113.70 123.62 1kr6 s SER 5 Ca 0.07 2.23 -0.00 0.00 1.31 0.00 0.00 55.95 59.56 1kr6 s SER 5 Cb -0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1kr6 s SER 5 CO -0.00 -0.46 0.25 1.07 0.41 0.00 0.00 173.24 174.51 1kr6 n THR 6 N 3.04 0.00 -4.50 1.44 5.66 -0.37 -4.92 114.28 114.63 1kr6 n THR 6 Ca 0.07 -1.00 -0.26 0.00 -3.05 0.00 0.00 64.05 59.81 1kr6 n THR 6 Cb 0.44 0.60 -0.17 0.00 -1.55 0.00 0.00 70.33 69.65 1kr6 n THR 6 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1kr6 s VAL 7 N -2.65 1.21 0.56 1.08 1.01 -1.26 -1.32 120.40 119.03 1kr6 s VAL 7 Ca 0.16 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1kr6 s VAL 7 Cb -0.00 -1.11 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1kr6 s VAL 7 CO 0.12 0.38 0.42 -0.83 0.00 0.00 0.00 175.10 175.19 1kr6 s GLY 8 N 0.84 2.38 0.02 4.51 0.00 0.33 -4.94 107.32 110.46 1kr6 s GLY 8 Ca -0.11 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1kr6 s GLY 8 CO 0.02 -1.95 -0.06 0.54 0.00 0.00 0.00 173.10 171.64 1kr6 s VAL 9 N -2.80 0.45 0.22 1.40 0.11 -1.05 -1.48 120.40 117.24 1kr6 s VAL 9 Ca 0.33 -0.73 -0.10 0.00 -2.93 0.00 0.00 61.98 58.55 1kr6 s VAL 9 Cb -0.02 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1kr6 s VAL 9 CO 0.21 -0.20 0.52 0.61 -3.33 0.00 0.00 175.10 172.91 1kr6 n GLY 10 N 2.05 1.26 3.28 6.54 0.00 -0.71 -0.21 105.19 117.41 1kr6 n GLY 10 Ca -0.19 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1kr6 n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kr6 s ARG 11 N -2.05 2.31 0.42 1.61 0.52 -0.73 -1.24 118.95 119.78 1kr6 s ARG 11 Ca 0.11 -0.90 -0.05 0.00 -0.52 0.00 0.00 55.73 54.37 1kr6 s ARG 11 Cb -0.03 -2.07 0.09 0.00 0.52 0.00 0.00 34.95 33.46 1kr6 s ARG 11 CO 0.06 0.45 0.57 0.41 0.02 0.00 0.00 175.30 176.82 1kr6 n GLY 12 N 2.73 -0.46 0.36 -3.53 0.00 0.19 -4.15 105.19 100.33 1kr6 n GLY 12 Ca -0.17 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.08 1kr6 n GLY 12 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kr6 h VAL 13 N -1.00 1.06 -0.17 1.61 2.07 -1.90 -1.28 116.25 116.65 1kr6 h VAL 13 Ca -0.19 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1kr6 h VAL 13 Cb 0.58 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1kr6 h VAL 13 CO 0.16 0.16 0.00 0.18 0.02 0.00 0.00 177.57 178.09 1kr6 n LEU 14 N -4.48 1.21 0.00 2.57 4.77 -1.26 -4.90 117.00 114.91 1kr6 n LEU 14 Ca 0.12 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1kr6 n LEU 14 Cb 0.19 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1kr6 n LEU 14 CO 0.34 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1kr6 n GLY 15 N 0.97 0.65 3.81 -0.72 0.00 -0.48 -5.05 105.19 104.37 1kr6 n GLY 15 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1kr6 n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kr6 s ASP 16 N -2.16 7.09 0.05 1.61 -4.77 -1.26 -4.75 116.67 112.49 1kr6 s ASP 16 Ca 0.00 1.41 -0.19 0.00 -3.30 0.00 0.00 52.55 50.47 1kr6 s ASP 16 Cb 0.00 -2.42 -0.06 0.00 -1.09 0.00 0.00 42.92 39.35 1kr6 s ASP 16 CO 0.00 0.09 0.56 -1.58 0.70 0.00 0.00 175.17 174.94 1kr6 s GLN 17 N -1.76 4.19 0.07 2.11 0.74 -1.26 -0.64 119.66 123.11 1kr6 s GLN 17 Ca 0.40 0.70 -0.17 0.00 0.05 0.00 0.00 55.36 56.34 1kr6 s GLN 17 Cb -0.18 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.71 1kr6 s GLN 17 CO 0.21 0.60 0.39 -1.59 -0.55 0.00 0.00 175.29 174.36 1kr6 s LYS 18 N -0.95 0.95 0.02 1.67 -2.85 -0.38 -4.98 119.74 113.22 1kr6 s LYS 18 Ca 0.29 -0.48 -0.13 0.00 -1.00 0.00 0.00 55.97 54.65 1kr6 s LYS 18 Cb -0.19 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 35.94 1kr6 s LYS 18 CO 0.18 -0.33 0.40 -0.80 0.10 0.00 0.00 175.35 174.89 1kr6 s ASN 19 N -2.23 6.74 0.04 0.03 0.01 -1.26 -1.74 114.94 116.52 1kr6 s ASN 19 Ca -0.03 0.90 0.04 0.00 -0.71 0.00 0.00 52.86 53.06 1kr6 s ASN 19 Cb 0.00 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 1kr6 s ASN 19 CO -0.05 0.28 -0.12 0.27 -1.51 0.00 0.00 177.10 175.96 1kr6 s ILE 20 N -1.18 0.96 -0.13 0.60 -4.36 -0.55 -4.98 121.20 111.56 1kr6 s ILE 20 Ca 0.26 -0.94 -0.29 0.00 -0.26 0.00 0.00 60.65 59.43 1kr6 s ILE 20 Cb -0.16 -0.88 -0.01 0.00 1.25 0.00 0.00 42.46 42.66 1kr6 s ILE 20 CO 0.14 -0.04 1.00 0.20 0.24 0.00 0.00 174.94 176.48 1kr6 s ASN 21 N -1.10 7.20 0.41 4.36 0.01 -1.26 -0.51 114.94 124.05 1kr6 s ASN 21 Ca -0.00 1.48 0.03 0.00 -0.71 0.00 0.00 52.86 53.67 1kr6 s ASN 21 Cb -0.08 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 1kr6 s ASN 21 CO 0.01 -0.47 0.10 0.42 -1.51 0.00 0.00 177.10 175.65 1kr6 s THR 22 N 2.16 0.80 -0.05 1.60 -4.23 -0.44 -3.82 115.64 111.66 1kr6 s THR 22 Ca 0.47 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1kr6 s THR 22 Cb -0.18 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1kr6 s THR 22 CO 0.16 0.00 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.24 1kr6 s THR 23 N -3.16 0.99 -0.21 3.99 2.01 -0.57 -1.23 115.64 117.46 1kr6 s THR 23 Ca 0.23 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1kr6 s THR 23 Cb 0.03 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1kr6 s THR 23 CO 0.13 0.32 0.08 -0.47 -0.69 0.00 0.00 174.62 173.99 1kr6 s TYR 24 N 0.56 3.22 -0.45 4.92 5.04 0.89 -0.27 117.35 131.27 1kr6 s TYR 24 Ca -0.11 -0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 1kr6 s TYR 24 Cb -0.14 -2.15 0.19 0.00 0.35 0.00 0.00 41.96 40.21 1kr6 s TYR 24 CO 0.02 0.01 0.79 0.45 -1.34 0.00 0.00 175.55 175.48 1kr6 s SER 25 N 0.80 -1.20 0.00 4.32 0.15 -1.26 -1.21 113.70 115.29 1kr6 s SER 25 Ca 0.04 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1kr6 s SER 25 Cb -0.13 1.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1kr6 s SER 25 CO 0.02 -0.08 0.00 0.41 1.20 0.00 0.00 173.24 174.80 1kr6 n THR 26 N 3.35 0.00 -3.93 6.45 -1.04 -1.26 -4.77 114.28 113.08 1kr6 n THR 26 Ca 0.14 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.92 1kr6 n THR 26 Cb 0.58 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.04 1kr6 n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1kr6 s TYR 27 N 0.00 2.68 -0.26 -1.42 2.02 -1.26 -4.99 117.35 114.12 1kr6 s TYR 27 Ca 0.00 -0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 56.12 1kr6 s TYR 27 Cb 0.00 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 1kr6 s TYR 27 CO 0.00 0.13 0.13 0.71 -1.57 0.00 0.00 175.55 174.96 1kr6 s TYR 28 N -2.50 3.18 0.12 2.71 1.51 0.54 -4.36 117.35 118.56 1kr6 s TYR 28 Ca 0.42 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.46 1kr6 s TYR 28 Cb -0.01 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1kr6 s TYR 28 CO 0.24 -0.19 0.09 0.71 -1.11 0.00 0.00 175.55 175.30 1kr6 s TYR 29 N 1.54 3.12 -1.31 2.71 1.51 0.63 -0.29 117.35 125.27 1kr6 s TYR 29 Ca 0.07 0.01 -0.16 0.00 -1.01 0.00 0.00 57.07 55.97 1kr6 s TYR 29 Cb -0.15 -1.55 0.09 0.00 -0.11 0.00 0.00 41.96 40.24 1kr6 s TYR 29 CO 0.07 0.52 1.76 1.28 -1.11 0.00 0.00 175.55 178.06 1kr6 n LEU 30 N 0.08 5.35 -3.70 -1.29 4.77 -0.51 -1.52 117.00 120.19 1kr6 n LEU 30 Ca -0.09 -4.09 -0.25 0.00 -0.03 0.00 0.00 56.01 51.55 1kr6 n LEU 30 Cb 0.53 -1.70 -0.17 0.00 -2.33 0.00 0.00 43.42 39.75 1kr6 n LEU 30 CO 0.43 0.46 -0.36 -1.58 -1.33 0.00 0.00 177.39 175.01 1kr6 s GLN 31 N 3.39 0.37 -0.43 3.23 0.74 -1.26 -1.92 119.66 123.79 1kr6 s GLN 31 Ca 0.50 -0.09 -0.16 0.00 0.05 0.00 0.00 55.36 55.66 1kr6 s GLN 31 Cb 0.04 -1.55 0.03 0.00 1.10 0.00 0.00 33.01 32.64 1kr6 s GLN 31 CO 0.04 -0.53 0.38 0.34 -0.55 0.00 0.00 175.29 174.97 1kr6 s ASP 32 N 2.01 6.15 0.00 6.67 -1.08 -0.03 -3.04 116.67 127.35 1kr6 s ASP 32 Ca 0.02 -0.93 0.27 0.00 -0.52 0.00 0.00 52.55 51.40 1kr6 s ASP 32 Cb -0.15 -2.19 1.02 0.00 -1.46 0.00 0.00 42.92 40.14 1kr6 s ASP 32 CO -0.07 -0.56 1.73 0.59 0.52 0.00 0.00 175.17 177.37 1kr6 n ASN 33 N 5.37 1.52 0.01 -0.34 3.02 -1.26 -1.81 115.26 121.77 1kr6 n ASN 33 Ca -0.10 -1.52 0.13 0.00 -0.03 0.00 0.00 54.58 53.06 1kr6 n ASN 33 Cb 0.46 -0.01 0.46 0.00 -0.61 0.00 0.00 39.78 40.09 1kr6 n ASN 33 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1kr6 n THR 34 N 0.19 0.04 -4.02 3.41 -2.24 -1.26 -4.73 114.28 105.68 1kr6 n THR 34 Ca 0.19 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.63 1kr6 n THR 34 Cb 0.35 -0.22 -0.15 0.00 -2.10 0.00 0.00 70.33 68.21 1kr6 n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1kr6 s ARG 35 N -3.01 1.99 4.68 -0.78 0.52 -1.26 -5.05 118.95 116.04 1kr6 s ARG 35 Ca 0.12 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1kr6 s ARG 35 Cb 0.18 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1kr6 s ARG 35 CO 0.60 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1kr6 n GLY 36 N 4.53 2.74 0.32 -3.53 0.00 -1.26 -0.69 105.19 107.29 1kr6 n GLY 36 Ca -0.13 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1kr6 n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kr6 n ASN 37 N 1.22 0.90 0.00 1.61 3.02 -0.79 -4.98 115.26 116.25 1kr6 n ASN 37 Ca 0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 1kr6 n ASN 37 Cb 0.00 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1kr6 n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kr6 n GLY 38 N 0.72 2.69 3.11 7.41 0.00 0.13 -4.67 105.19 114.57 1kr6 n GLY 38 Ca 0.05 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1kr6 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kr6 s ILE 39 N -2.77 1.79 -0.07 -0.61 1.01 -0.75 -1.29 121.20 118.49 1kr6 s ILE 39 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1kr6 s ILE 39 Cb 0.00 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1kr6 s ILE 39 CO 0.00 0.50 -0.24 -0.36 0.00 0.00 0.00 174.94 174.84 1kr6 s PHE 40 N 0.99 2.41 -0.10 3.97 0.08 0.69 -0.85 117.98 125.17 1kr6 s PHE 40 Ca -0.05 -0.84 0.04 0.00 0.12 0.00 0.00 56.93 56.20 1kr6 s PHE 40 Cb -0.15 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1kr6 s PHE 40 CO -0.03 -0.30 -0.24 0.99 -0.10 0.00 0.00 175.22 175.54 1kr6 s THR 41 N 0.08 2.07 0.23 0.64 2.01 -0.81 -1.33 115.64 118.53 1kr6 s THR 41 Ca -0.10 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 60.98 1kr6 s THR 41 Cb -0.15 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1kr6 s THR 41 CO 0.06 0.56 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.19 1kr6 s TYR 42 N 0.40 2.67 -0.29 4.92 1.51 0.15 -1.28 117.35 125.42 1kr6 s TYR 42 Ca -0.18 -0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 55.57 1kr6 s TYR 42 Cb -0.18 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1kr6 s TYR 42 CO 0.08 0.58 0.16 0.34 -1.11 0.00 0.00 175.55 175.60 1kr6 s ASP 43 N -3.32 5.69 0.00 2.29 2.15 0.11 -1.39 116.67 122.20 1kr6 s ASP 43 Ca 0.29 -0.30 0.27 0.00 0.43 0.00 0.00 52.55 53.25 1kr6 s ASP 43 Cb -0.07 -2.04 0.97 0.00 -0.30 0.00 0.00 42.92 41.47 1kr6 s ASP 43 CO 0.18 -0.13 1.70 0.00 -0.17 0.00 0.00 175.17 176.75 1kr6 n ALA 44 N 5.01 2.93 -4.10 3.66 0.00 -0.37 -2.00 120.51 125.64 1kr6 n ALA 44 Ca -0.14 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 1kr6 n ALA 44 Cb 0.50 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1kr6 n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kr6 n LYS 45 N -0.80 -4.07 -0.97 0.00 5.02 -1.24 -1.15 118.16 114.95 1kr6 n LYS 45 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1kr6 n LYS 45 Cb 0.32 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 1kr6 n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1kr6 n TYR 46 N -4.50 0.00 -3.17 2.13 4.01 0.10 -4.96 117.16 110.77 1kr6 n TYR 46 Ca 0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.59 1kr6 n TYR 46 Cb 0.51 -1.08 0.05 0.00 -0.31 0.00 0.00 39.34 38.50 1kr6 n TYR 46 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1kr6 s ARG 47 N -1.05 2.34 0.00 -0.72 1.81 -0.30 -3.53 118.95 117.49 1kr6 s ARG 47 Ca 0.00 -1.67 0.10 0.00 -1.72 0.00 0.00 55.73 52.45 1kr6 s ARG 47 Cb 0.00 -2.57 0.20 0.00 -0.45 0.00 0.00 34.95 32.13 1kr6 s ARG 47 CO 0.00 -0.77 1.07 0.25 -0.68 0.00 0.00 175.30 175.17 1kr6 n THR 48 N -2.13 0.58 -2.72 0.02 -2.24 -1.26 -1.16 114.28 105.37 1kr6 n THR 48 Ca 0.12 -0.79 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1kr6 n THR 48 Cb 0.62 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 1kr6 n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kr6 s THR 49 N -0.95 4.84 0.15 4.28 2.01 -1.26 -5.03 115.64 119.67 1kr6 s THR 49 Ca 0.18 2.06 0.09 0.00 0.31 0.00 0.00 61.69 64.33 1kr6 s THR 49 Cb 0.10 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1kr6 s THR 49 CO 0.14 0.18 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.34 1kr6 s LEU 50 N 0.91 2.80 0.11 4.42 1.43 -1.26 -3.80 118.68 123.29 1kr6 s LEU 50 Ca 0.51 -0.59 0.26 0.00 -1.03 0.00 0.00 54.13 53.29 1kr6 s LEU 50 Cb -0.21 -1.57 0.73 0.00 0.03 0.00 0.00 46.19 45.17 1kr6 s LEU 50 CO 0.28 0.14 1.63 -0.81 0.23 0.00 0.00 176.35 177.83 1kr6 n PRO 51 N 0.45 0.18 0.00 1.29 -0.04 -1.26 -5.10 135.00 130.52 1kr6 n PRO 51 Ca -0.13 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1kr6 n PRO 51 Cb 0.54 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1kr6 n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kr6 n GLY 52 N 1.38 0.11 3.52 0.55 0.00 -1.25 -4.35 105.19 105.16 1kr6 n GLY 52 Ca 0.05 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 1kr6 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kr6 s SER 53 N -4.00 4.37 0.19 1.61 1.04 -0.85 -4.89 113.70 111.18 1kr6 s SER 53 Ca 0.00 -0.12 -0.33 0.00 0.48 0.00 0.00 55.95 55.98 1kr6 s SER 53 Cb 0.00 -1.12 -0.14 0.00 0.10 0.00 0.00 66.02 64.86 1kr6 s SER 53 CO 0.00 0.33 1.49 -0.11 0.98 0.00 0.00 173.24 175.93 1kr6 n LEU 54 N 2.44 3.05 -4.65 2.42 7.94 -1.26 -0.71 117.00 126.22 1kr6 n LEU 54 Ca -0.18 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.41 1kr6 n LEU 54 Cb 0.53 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 1kr6 n LEU 54 CO 0.27 -0.41 1.59 0.86 -1.11 0.00 0.00 177.39 178.60 1kr6 s TRP 55 N 0.46 1.40 -0.06 1.96 -0.11 -0.40 -4.79 118.94 117.40 1kr6 s TRP 55 Ca 0.74 -0.19 0.04 0.00 1.22 0.00 0.00 56.10 57.91 1kr6 s TRP 55 Cb -0.68 -4.15 -0.02 0.00 -1.50 0.00 0.00 33.47 27.13 1kr6 s TRP 55 CO 0.43 -5.02 -0.17 0.00 -4.62 0.00 0.00 176.95 167.57 1kr6 s ALA 56 N 4.97 2.51 -0.00 5.86 0.00 -1.26 -1.42 121.76 132.41 1kr6 s ALA 56 Ca 0.87 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1kr6 s ALA 56 Cb -0.39 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1kr6 s ALA 56 CO 0.38 0.47 -0.06 0.34 0.00 0.00 0.00 175.76 176.90 1kr6 s ASP 57 N -0.43 0.71 0.20 0.00 2.15 0.60 -4.95 116.67 114.96 1kr6 s ASP 57 Ca 0.05 -0.14 0.04 0.00 0.43 0.00 0.00 52.55 52.93 1kr6 s ASP 57 Cb -0.12 -0.07 0.11 0.00 -0.30 0.00 0.00 42.92 42.54 1kr6 s ASP 57 CO 0.02 0.05 1.46 0.00 -0.17 0.00 0.00 175.17 176.53 1kr6 h ALA 58 N 5.88 0.68 0.00 3.66 0.00 -1.94 0.15 119.26 127.70 1kr6 h ALA 58 Ca -0.29 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1kr6 h ALA 58 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1kr6 h ALA 58 CO 0.49 0.86 0.00 -0.40 0.00 0.00 0.00 179.25 180.20 1kr6 n ASP 59 N -3.73 1.58 -1.00 0.00 5.68 -1.26 -4.72 116.55 113.10 1kr6 n ASP 59 Ca -0.03 -1.63 -0.13 0.00 -0.50 0.00 0.00 54.79 52.51 1kr6 n ASP 59 Cb 0.73 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.66 1kr6 n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1kr6 n ASN 60 N -0.31 -4.52 -4.09 -1.12 5.15 -1.26 -4.99 115.26 104.11 1kr6 n ASN 60 Ca 0.00 0.30 -0.31 0.00 -0.60 0.00 0.00 54.58 53.97 1kr6 n ASN 60 Cb 0.18 -3.18 -0.16 0.00 -0.53 0.00 0.00 39.78 36.09 1kr6 n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1kr6 s GLN 61 N -3.15 2.61 -0.70 1.20 -0.21 -1.26 -2.52 119.66 115.62 1kr6 s GLN 61 Ca 0.00 -0.69 0.05 0.00 0.02 0.00 0.00 55.36 54.73 1kr6 s GLN 61 Cb 0.00 -2.22 0.27 0.00 1.00 0.00 0.00 33.01 32.05 1kr6 s GLN 61 CO 0.00 -0.12 0.88 1.19 -2.12 0.00 0.00 175.29 175.12 1kr6 n PHE 62 N 4.38 3.51 0.35 0.91 3.01 0.71 -4.81 117.46 125.51 1kr6 n PHE 62 Ca -0.19 -3.92 0.08 0.00 1.01 0.00 0.00 57.45 54.43 1kr6 n PHE 62 Cb 0.51 -0.65 0.13 0.00 -0.01 0.00 0.00 39.48 39.45 1kr6 n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1kr6 n PHE 63 N 0.78 0.25 -2.72 1.38 3.72 -1.26 -1.77 117.46 117.83 1kr6 n PHE 63 Ca 0.30 -0.18 -0.35 0.00 -0.05 0.00 0.00 57.45 57.17 1kr6 n PHE 63 Cb 0.40 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 1kr6 n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kr6 s ALA 64 N -1.24 3.05 0.37 4.37 0.00 -1.26 -4.90 121.76 122.15 1kr6 s ALA 64 Ca 0.25 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1kr6 s ALA 64 Cb 0.15 -3.19 0.77 0.00 0.00 0.00 0.00 23.12 20.85 1kr6 s ALA 64 CO 0.22 0.01 1.95 0.66 0.00 0.00 0.00 175.76 178.60 1kr6 h SER 65 N 2.21 0.64 0.44 0.00 4.64 -1.97 0.43 113.55 119.94 1kr6 h SER 65 Ca -0.48 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1kr6 h SER 65 Cb 1.19 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1kr6 h SER 65 CO 0.62 0.40 -0.13 0.22 -0.87 0.00 0.00 176.83 177.07 1kr6 h TYR 66 N 0.72 0.00 0.00 4.77 3.20 -1.99 -2.91 116.97 120.76 1kr6 h TYR 66 Ca 0.32 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 62.01 1kr6 h TYR 66 Cb 0.33 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1kr6 h TYR 66 CO -0.00 0.13 -0.86 -0.44 -1.64 0.00 0.00 178.16 175.35 1kr6 h ASP 67 N 0.00 0.00 -0.89 -2.11 3.32 -1.25 -3.40 116.42 112.09 1kr6 h ASP 67 Ca -0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 1kr6 h ASP 67 Cb 0.39 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.79 1kr6 h ASP 67 CO 0.02 0.86 -0.37 0.00 -1.72 0.00 0.00 179.24 178.03 1kr6 h ALA 68 N 1.14 0.13 -0.49 3.45 0.00 -1.39 -0.86 119.26 121.23 1kr6 h ALA 68 Ca -0.01 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kr6 h ALA 68 Cb 1.61 0.94 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 1kr6 h ALA 68 CO 0.11 -0.63 0.27 -1.35 0.00 0.00 0.00 179.25 177.65 1kr6 h PRO 69 N -0.04 0.67 -0.28 0.00 0.11 -1.80 -2.46 132.00 128.20 1kr6 h PRO 69 Ca 0.32 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 1kr6 h PRO 69 Cb 0.59 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1kr6 h PRO 69 CO -0.91 0.50 -0.30 0.00 -0.21 0.00 0.00 178.00 177.08 1kr6 h ALA 70 N 1.62 0.42 -0.18 -0.75 0.00 -1.46 -1.48 119.26 117.43 1kr6 h ALA 70 Ca 0.18 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1kr6 h ALA 70 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1kr6 h ALA 70 CO -0.03 0.44 -0.02 0.28 0.00 0.00 0.00 179.25 179.92 1kr6 h VAL 71 N 0.44 0.86 -0.31 0.00 2.07 -0.95 -1.09 116.25 117.26 1kr6 h VAL 71 Ca 0.04 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 1kr6 h VAL 71 Cb 0.87 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1kr6 h VAL 71 CO 0.07 0.01 -0.41 0.44 0.02 0.00 0.00 177.57 177.70 1kr6 h ASP 72 N 0.04 0.82 -0.73 0.57 3.32 -1.45 -0.39 116.42 118.60 1kr6 h ASP 72 Ca 0.08 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 1kr6 h ASP 72 Cb 0.11 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1kr6 h ASP 72 CO -0.16 1.12 0.26 0.00 -1.72 0.00 0.00 179.24 178.74 1kr6 h ALA 73 N 0.91 0.95 -0.02 3.45 0.00 -1.10 0.44 119.26 123.89 1kr6 h ALA 73 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1kr6 h ALA 73 Cb 0.97 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1kr6 h ALA 73 CO 0.09 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 181.17 1kr6 h HIS 74 N 1.06 0.06 -0.15 0.00 -0.00 -1.11 -2.58 115.15 112.41 1kr6 h HIS 74 Ca 0.24 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1kr6 h HIS 74 Cb 0.26 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1kr6 h HIS 74 CO 0.02 0.47 0.03 -0.92 -0.00 0.00 0.00 177.93 177.53 1kr6 h TYR 75 N -0.37 0.26 0.00 5.26 5.03 -0.96 -2.84 116.97 123.36 1kr6 h TYR 75 Ca 0.00 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.22 1kr6 h TYR 75 Cb 0.45 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1kr6 h TYR 75 CO 0.07 0.40 -0.30 1.88 -1.32 0.00 0.00 178.16 178.90 1kr6 h TYR 76 N 0.05 0.00 -0.44 -3.82 0.05 -1.01 -1.78 116.97 110.02 1kr6 h TYR 76 Ca 0.05 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 1kr6 h TYR 76 Cb 0.28 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1kr6 h TYR 76 CO 0.01 0.30 -0.13 0.00 -1.05 0.00 0.00 178.16 177.29 1kr6 h ALA 77 N 1.70 0.95 -0.41 3.88 0.00 -1.40 -1.14 119.26 122.85 1kr6 h ALA 77 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1kr6 h ALA 77 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1kr6 h ALA 77 CO 0.04 0.61 0.06 0.78 0.00 0.00 0.00 179.25 180.74 1kr6 h GLY 78 N 0.97 0.73 1.01 0.00 0.00 -1.10 -1.09 103.07 103.60 1kr6 h GLY 78 Ca 0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1kr6 h GLY 78 CO 0.04 0.46 0.39 -2.08 0.00 0.00 0.00 176.54 175.34 1kr6 h VAL 79 N 0.53 1.23 -0.65 4.60 2.07 -1.11 -0.81 116.25 122.12 1kr6 h VAL 79 Ca 0.12 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 1kr6 h VAL 79 Cb 0.38 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1kr6 h VAL 79 CO 0.01 0.27 0.08 0.74 0.02 0.00 0.00 177.57 178.68 1kr6 h THR 80 N 1.04 1.26 -0.62 2.57 2.02 -1.05 -0.76 112.91 117.37 1kr6 h THR 80 Ca 0.26 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1kr6 h THR 80 Cb 0.08 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1kr6 h THR 80 CO -0.04 0.40 0.35 0.22 0.37 0.00 0.00 175.52 176.82 1kr6 h TYR 81 N 1.02 0.84 -0.79 3.16 5.03 -0.75 -2.31 116.97 123.18 1kr6 h TYR 81 Ca 0.20 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 1kr6 h TYR 81 Cb 0.48 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 1kr6 h TYR 81 CO 0.03 0.60 0.44 -0.44 -1.32 0.00 0.00 178.16 177.47 1kr6 h ASP 82 N 0.85 0.98 0.33 -2.11 3.32 -0.71 -1.63 116.42 117.44 1kr6 h ASP 82 Ca 0.22 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1kr6 h ASP 82 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1kr6 h ASP 82 CO -0.04 0.79 -0.25 0.22 -1.72 0.00 0.00 179.24 178.24 1kr6 h TYR 83 N 1.09 -0.65 -0.47 4.55 3.20 -0.73 0.13 116.97 124.08 1kr6 h TYR 83 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1kr6 h TYR 83 Cb 0.02 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1kr6 h TYR 83 CO 0.00 -0.37 0.18 1.88 -1.64 0.00 0.00 178.16 178.21 1kr6 h TYR 84 N -0.58 0.67 -0.00 -3.82 0.05 -1.28 0.32 116.97 112.32 1kr6 h TYR 84 Ca -0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1kr6 h TYR 84 Cb 0.50 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1kr6 h TYR 84 CO -0.13 0.52 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.27 1kr6 h LYS 85 N 0.67 0.02 -0.10 4.88 3.64 -1.06 -0.01 116.57 124.60 1kr6 h LYS 85 Ca 0.16 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.32 1kr6 h LYS 85 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1kr6 h LYS 85 CO -0.02 0.69 -0.79 -0.91 -2.27 0.00 0.00 179.45 176.15 1kr6 h ASN 86 N -0.65 0.73 0.14 4.20 2.35 -0.69 -2.26 115.58 119.40 1kr6 h ASN 86 Ca -0.00 -0.49 -0.36 0.00 -0.55 0.00 0.00 56.30 54.89 1kr6 h ASN 86 Cb 0.69 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1kr6 h ASN 86 CO 0.00 1.27 -1.97 0.58 -1.65 0.00 0.00 177.43 175.67 1kr6 h VAL 87 N 0.40 0.66 -0.07 2.81 2.07 -1.08 -3.41 116.25 117.63 1kr6 h VAL 87 Ca -0.05 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1kr6 h VAL 87 Cb 1.40 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1kr6 h VAL 87 CO 0.15 0.89 0.00 1.41 0.02 0.00 0.00 177.57 180.04 1kr6 n HIS 88 N -3.49 0.08 -3.71 1.57 8.25 -0.96 -5.00 115.22 111.97 1kr6 n HIS 88 Ca -0.31 -0.12 -0.27 0.00 -0.26 0.00 0.00 57.72 56.76 1kr6 n HIS 88 Cb 1.05 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 32.20 1kr6 n HIS 88 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1kr6 n ASN 89 N 0.39 -5.60 -4.38 0.41 5.15 -0.70 -4.96 115.26 105.57 1kr6 n ASN 89 Ca 0.05 -0.63 -0.34 0.00 -0.60 0.00 0.00 54.58 53.07 1kr6 n ASN 89 Cb 0.24 -4.44 -0.14 0.00 -0.53 0.00 0.00 39.78 34.91 1kr6 n ASN 89 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1kr6 s ARG 90 N -6.42 3.44 -0.57 1.20 3.52 -0.10 -4.95 118.95 115.07 1kr6 s ARG 90 Ca 0.61 -0.63 -0.20 0.00 -0.13 0.00 0.00 55.73 55.37 1kr6 s ARG 90 Cb -0.29 -2.81 0.07 0.00 -1.56 0.00 0.00 34.95 30.36 1kr6 s ARG 90 CO 0.75 0.09 0.76 -0.51 -0.81 0.00 0.00 175.30 175.57 1kr6 s LEU 91 N 0.72 4.89 0.00 -0.88 1.43 -1.26 -2.65 118.68 120.92 1kr6 s LEU 91 Ca -0.04 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1kr6 s LEU 91 Cb -0.15 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1kr6 s LEU 91 CO 0.02 -1.11 0.00 -0.24 0.23 0.00 0.00 176.35 175.25 1kr6 n SER 92 N 6.68 -6.44 0.21 2.29 2.88 -1.26 -1.41 113.62 116.56 1kr6 n SER 92 Ca -0.06 0.70 0.07 0.00 -1.33 0.00 0.00 58.87 58.25 1kr6 n SER 92 Cb 0.45 -1.97 0.43 0.00 -0.75 0.00 0.00 64.21 62.36 1kr6 n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1kr6 h TYR 93 N -0.60 0.00 -0.02 0.66 -0.00 -1.92 -3.04 116.97 112.05 1kr6 h TYR 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1kr6 h TYR 93 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.33 1kr6 h TYR 93 CO 0.00 0.31 -0.27 -0.40 -0.00 0.00 0.00 178.16 177.80 1kr6 n ASP 94 N -3.61 2.03 0.00 0.10 5.75 -1.26 -4.37 116.55 115.18 1kr6 n ASP 94 Ca -0.01 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1kr6 n ASP 94 Cb 0.43 0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1kr6 n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kr6 n GLY 95 N 1.36 0.84 1.77 6.12 0.00 -0.70 -4.86 105.19 109.72 1kr6 n GLY 95 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1kr6 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kr6 n ASN 96 N 0.00 2.06 -3.41 1.61 5.15 -0.83 -4.35 115.26 115.49 1kr6 n ASN 96 Ca 0.00 -2.76 -0.25 0.00 -0.60 0.00 0.00 54.58 50.98 1kr6 n ASN 96 Cb 0.00 -0.41 0.04 0.00 -0.53 0.00 0.00 39.78 38.88 1kr6 n ASN 96 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1kr6 n ASN 97 N -0.39 -5.61 -4.73 1.20 3.02 -0.50 -4.93 115.26 103.32 1kr6 n ASN 97 Ca 0.16 -0.47 -0.40 0.00 -0.03 0.00 0.00 54.58 53.84 1kr6 n ASN 97 Cb 0.92 -4.50 0.02 0.00 -0.61 0.00 0.00 39.78 35.61 1kr6 n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kr6 n ALA 98 N -4.18 1.55 -1.77 5.41 0.00 -1.26 -1.88 120.51 118.38 1kr6 n ALA 98 Ca -0.03 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 1kr6 n ALA 98 Cb 0.57 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 1kr6 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kr6 s ALA 99 N -1.22 3.47 -0.22 0.00 0.00 -1.26 -4.60 121.76 117.93 1kr6 s ALA 99 Ca 0.63 1.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.94 1kr6 s ALA 99 Cb -0.47 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 1kr6 s ALA 99 CO 0.56 -0.92 0.08 0.42 0.00 0.00 0.00 175.76 175.90 1kr6 s ILE 100 N -1.16 4.66 -0.03 0.00 1.01 -0.41 -5.02 121.20 120.25 1kr6 s ILE 100 Ca 0.53 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.18 1kr6 s ILE 100 Cb -0.43 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1kr6 s ILE 100 CO 0.57 0.39 -0.23 -0.13 0.00 0.00 0.00 174.94 175.55 1kr6 s ARG 101 N 0.96 1.98 0.01 2.79 0.52 -1.26 -0.22 118.95 123.73 1kr6 s ARG 101 Ca 0.04 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1kr6 s ARG 101 Cb -0.14 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.48 1kr6 s ARG 101 CO 0.03 0.45 -0.06 -1.12 0.02 0.00 0.00 175.30 174.62 1kr6 s SER 102 N -0.41 0.65 -0.06 0.23 0.01 -0.44 -1.37 113.70 112.31 1kr6 s SER 102 Ca 0.05 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.10 1kr6 s SER 102 Cb -0.10 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1kr6 s SER 102 CO 0.00 -0.04 -0.22 -0.44 0.41 0.00 0.00 173.24 172.95 1kr6 s SER 103 N -0.66 2.73 0.44 2.44 0.01 -0.56 0.32 113.70 118.42 1kr6 s SER 103 Ca -0.03 -0.46 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1kr6 s SER 103 Cb -0.05 -0.84 -0.05 0.00 0.21 0.00 0.00 66.02 65.29 1kr6 s SER 103 CO -0.00 0.20 0.11 0.68 0.41 0.00 0.00 173.24 174.64 1kr6 s VAL 104 N 0.00 1.98 -1.33 3.43 -7.23 -0.49 -1.05 120.40 115.72 1kr6 s VAL 104 Ca -0.06 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.19 1kr6 s VAL 104 Cb -0.14 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.00 1kr6 s VAL 104 CO 0.04 0.00 1.16 1.41 -0.31 0.00 0.00 175.10 177.40 1kr6 n HIS 105 N -1.19 -2.83 -2.63 2.82 8.25 -1.14 -1.23 115.22 117.27 1kr6 n HIS 105 Ca -0.05 1.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.98 1kr6 n HIS 105 Cb 0.66 -4.97 -0.02 0.00 1.12 0.00 0.00 29.99 26.77 1kr6 n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1kr6 s TYR 106 N -3.31 3.41 0.00 4.41 5.04 -1.00 0.01 117.35 125.91 1kr6 s TYR 106 Ca 0.57 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 1kr6 s TYR 106 Cb -0.25 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 38.81 1kr6 s TYR 106 CO 0.72 -0.50 0.00 0.45 -1.34 0.00 0.00 175.55 174.88 1kr6 n SER 107 N 5.25 -3.20 -4.11 4.32 2.88 -0.31 -4.37 113.62 114.08 1kr6 n SER 107 Ca 0.10 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.35 1kr6 n SER 107 Cb 0.48 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.77 1kr6 n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1kr6 s GLN 108 N 0.00 2.41 -1.46 -1.46 -0.21 -1.26 -4.25 119.66 113.43 1kr6 s GLN 108 Ca 0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 55.36 54.63 1kr6 s GLN 108 Cb 0.00 -1.94 0.07 0.00 1.00 0.00 0.00 33.01 32.13 1kr6 s GLN 108 CO 0.00 0.03 0.75 0.41 -2.12 0.00 0.00 175.29 174.36 1kr6 n GLY 109 N 3.90 -0.50 3.64 3.09 0.00 -1.26 -4.91 105.19 109.15 1kr6 n GLY 109 Ca -0.20 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1kr6 n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kr6 s TYR 110 N -3.15 3.25 -0.22 1.61 5.04 -1.26 -4.04 117.35 118.58 1kr6 s TYR 110 Ca 0.51 1.12 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 1kr6 s TYR 110 Cb -0.26 -3.28 0.28 0.00 0.35 0.00 0.00 41.96 39.05 1kr6 s TYR 110 CO 0.63 -0.54 1.55 0.09 -1.34 0.00 0.00 175.55 175.94 1kr6 n ASN 111 N 6.31 4.02 -4.12 4.32 3.02 -1.26 -0.68 115.26 126.87 1kr6 n ASN 111 Ca 0.08 -2.79 -0.09 0.00 -0.03 0.00 0.00 54.58 51.74 1kr6 n ASN 111 Cb 0.47 -0.74 -0.10 0.00 -0.61 0.00 0.00 39.78 38.80 1kr6 n ASN 111 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1kr6 s ASN 112 N 0.03 0.29 0.02 6.41 -0.87 -1.26 -4.98 114.94 114.57 1kr6 s ASN 112 Ca 0.27 -1.15 0.00 0.00 -1.57 0.00 0.00 52.86 50.41 1kr6 s ASN 112 Cb 0.22 0.31 -0.01 0.00 -0.02 0.00 0.00 41.25 41.74 1kr6 s ASN 112 CO 0.04 -0.74 -0.03 0.00 -2.57 0.00 0.00 177.10 173.80 1kr6 s ALA 113 N -4.03 0.17 0.20 0.60 0.00 -1.26 -1.36 121.76 116.07 1kr6 s ALA 113 Ca 0.22 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 1kr6 s ALA 113 Cb 0.07 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.31 1kr6 s ALA 113 CO 0.01 -0.07 0.78 -0.59 0.00 0.00 0.00 175.76 175.89 1kr6 s PHE 114 N -0.91 -0.25 -0.23 0.00 -0.71 -0.38 -4.99 117.98 110.51 1kr6 s PHE 114 Ca -0.09 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.65 1kr6 s PHE 114 Cb -0.06 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1kr6 s PHE 114 CO -0.00 -0.99 0.01 -0.46 -1.34 0.00 0.00 175.22 172.43 1kr6 s TRP 115 N -3.64 3.02 -0.89 3.49 -0.11 -1.26 -0.31 118.94 119.25 1kr6 s TRP 115 Ca 0.09 -0.64 0.12 0.00 1.22 0.00 0.00 56.10 56.90 1kr6 s TRP 115 Cb -0.03 -2.16 0.59 0.00 -1.50 0.00 0.00 33.47 30.36 1kr6 s TRP 115 CO 0.01 -0.41 1.44 0.27 -4.62 0.00 0.00 176.95 173.63 1kr6 n ASN 116 N 4.75 4.13 0.00 5.86 6.94 -0.51 -4.88 115.26 131.55 1kr6 n ASN 116 Ca -0.17 -2.50 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1kr6 n ASN 116 Cb 0.51 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1kr6 n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kr6 n GLY 117 N 0.74 2.01 0.00 4.83 0.00 -1.26 -4.75 105.19 106.76 1kr6 n GLY 117 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kr6 n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kr6 n SER 118 N 0.00 1.16 -3.79 1.61 7.64 -1.26 -5.13 113.62 113.85 1kr6 n SER 118 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1kr6 n SER 118 Cb 0.00 0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1kr6 n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kr6 s GLN 119 N -0.67 1.71 0.08 1.43 -2.07 -1.26 -4.75 119.66 114.13 1kr6 s GLN 119 Ca 0.00 -0.96 -0.07 0.00 -1.82 0.00 0.00 55.36 52.51 1kr6 s GLN 119 Cb 0.00 0.58 -0.05 0.00 -1.09 0.00 0.00 33.01 32.44 1kr6 s GLN 119 CO 0.00 -0.79 0.35 -1.64 -1.32 0.00 0.00 175.29 171.90 1kr6 s MET 120 N -3.72 3.66 -0.03 9.60 -1.94 -0.47 -1.42 119.30 124.98 1kr6 s MET 120 Ca 0.12 0.02 0.02 0.00 -1.71 0.00 0.00 55.69 54.13 1kr6 s MET 120 Cb -0.05 -2.97 0.01 0.00 2.01 0.00 0.00 34.83 33.82 1kr6 s MET 120 CO 0.06 0.56 -0.08 0.08 -0.01 0.00 0.00 175.02 175.63 1kr6 s VAL 121 N -1.45 0.70 -0.08 -6.03 1.01 0.57 -1.49 120.40 113.63 1kr6 s VAL 121 Ca 0.34 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1kr6 s VAL 121 Cb -0.13 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1kr6 s VAL 121 CO 0.20 0.23 -0.14 -0.31 0.00 0.00 0.00 175.10 175.08 1kr6 s TYR 122 N 0.39 1.72 0.70 5.22 2.02 -0.22 -1.25 117.35 125.94 1kr6 s TYR 122 Ca -0.06 -0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 55.87 1kr6 s TYR 122 Cb -0.10 -1.25 0.07 0.00 -0.40 0.00 0.00 41.96 40.28 1kr6 s TYR 122 CO 0.01 -0.36 1.01 0.20 -1.57 0.00 0.00 175.55 174.83 1kr6 s GLY 123 N 0.78 1.71 0.01 0.71 0.00 -0.47 -2.38 107.32 107.68 1kr6 s GLY 123 Ca -0.12 -1.04 0.23 0.00 0.00 0.00 0.00 44.72 43.80 1kr6 s GLY 123 CO 0.02 -0.61 1.20 1.22 0.00 0.00 0.00 173.10 174.93 1kr6 n ASP 124 N -2.90 0.68 0.00 1.64 8.00 -1.19 -2.82 116.55 119.96 1kr6 n ASP 124 Ca 0.09 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1kr6 n ASP 124 Cb 0.60 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 1kr6 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kr6 n GLY 125 N 1.48 -1.88 0.77 0.44 0.00 0.14 -1.35 105.19 104.79 1kr6 n GLY 125 Ca 0.05 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1kr6 n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kr6 n ASP 126 N -2.39 2.37 0.00 1.61 5.68 -1.16 -4.03 116.55 118.63 1kr6 n ASP 126 Ca 0.00 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1kr6 n ASP 126 Cb 0.00 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1kr6 n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kr6 n GLY 127 N 1.28 1.93 0.72 6.12 0.00 -0.03 -4.79 105.19 110.42 1kr6 n GLY 127 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1kr6 n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kr6 n GLN 128 N -2.00 0.19 0.11 1.61 1.13 -1.26 -4.79 117.38 112.37 1kr6 n GLN 128 Ca 0.00 0.08 -0.23 0.00 -1.94 0.00 0.00 57.00 54.91 1kr6 n GLN 128 Cb 0.00 -0.83 -0.15 0.00 0.11 0.00 0.00 30.24 29.37 1kr6 n GLN 128 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1kr6 h THR 129 N -0.34 1.17 -3.79 5.09 2.02 -1.94 -3.36 112.91 111.76 1kr6 h THR 129 Ca -0.10 -2.68 -0.13 0.00 0.77 0.00 0.00 66.41 64.28 1kr6 h THR 129 Cb 0.69 2.92 -0.18 0.00 -1.74 0.00 0.00 68.15 69.85 1kr6 h THR 129 CO -0.06 0.83 -0.52 -0.36 0.37 0.00 0.00 175.52 175.79 1kr6 s PHE 130 N -2.60 0.20 0.45 3.16 0.08 -1.26 -0.13 117.98 117.88 1kr6 s PHE 130 Ca -0.11 -0.50 0.06 0.00 0.12 0.00 0.00 56.93 56.51 1kr6 s PHE 130 Cb 0.05 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.34 1kr6 s PHE 130 CO 0.90 -0.37 0.26 0.96 -0.10 0.00 0.00 175.22 176.88 1kr6 s ILE 131 N -2.62 2.13 -0.46 0.64 -4.36 -0.73 -0.85 121.20 114.94 1kr6 s ILE 131 Ca -0.05 -1.60 -0.42 0.00 -0.26 0.00 0.00 60.65 58.32 1kr6 s ILE 131 Cb -0.01 -2.72 -0.18 0.00 1.25 0.00 0.00 42.46 40.80 1kr6 s ILE 131 CO -0.05 0.00 1.66 -2.65 0.24 0.00 0.00 174.94 174.14 1kr6 n PRO 132 N -1.43 0.00 0.26 0.37 -0.02 -0.45 -4.45 135.00 129.27 1kr6 n PRO 132 Ca -0.02 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.64 1kr6 n PRO 132 Cb 0.64 -1.38 0.91 0.00 -0.02 0.00 0.00 33.50 33.65 1kr6 n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1kr6 h LEU 133 N 5.97 0.00 0.00 2.45 3.38 -1.77 -1.73 115.31 123.60 1kr6 h LEU 133 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1kr6 h LEU 133 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1kr6 h LEU 133 CO 0.94 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.93 1kr6 n SER 134 N -3.61 0.00 0.00 -0.43 3.41 -1.26 -2.76 113.62 108.97 1kr6 n SER 134 Ca -0.00 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 1kr6 n SER 134 Cb 0.24 -0.34 0.55 0.00 -0.26 0.00 0.00 64.21 64.40 1kr6 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kr6 n GLY 135 N 0.35 -1.18 3.42 5.00 0.00 -0.65 -4.26 105.19 107.87 1kr6 n GLY 135 Ca 0.08 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1kr6 n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kr6 s GLY 136 N -2.76 1.79 0.35 -0.02 0.00 -1.11 -4.82 107.32 100.74 1kr6 s GLY 136 Ca 0.17 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 43.68 1kr6 s GLY 136 CO 0.39 0.60 1.88 1.19 0.00 0.00 0.00 173.10 177.16 1kr6 h ILE 137 N 5.65 1.20 0.00 0.90 2.10 -1.90 -1.87 117.51 123.59 1kr6 h ILE 137 Ca -0.35 -0.81 -0.09 0.00 1.08 0.00 0.00 64.86 64.69 1kr6 h ILE 137 Cb 1.16 1.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1kr6 h ILE 137 CO 0.59 0.27 -0.41 -2.24 -1.08 0.00 0.00 178.15 175.29 1kr6 h ASP 138 N 0.42 0.00 -0.07 2.19 3.04 -1.94 -1.30 116.42 118.76 1kr6 h ASP 138 Ca 0.09 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.85 1kr6 h ASP 138 Cb 0.36 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.65 1kr6 h ASP 138 CO 0.02 0.41 -0.06 0.58 -2.04 0.00 0.00 179.24 178.15 1kr6 h VAL 139 N 0.00 1.36 -0.32 4.15 2.07 -1.68 -0.00 116.25 121.82 1kr6 h VAL 139 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1kr6 h VAL 139 Cb 0.77 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1kr6 h VAL 139 CO 0.05 0.32 0.21 0.58 0.02 0.00 0.00 177.57 178.76 1kr6 h VAL 140 N -0.26 1.09 -0.23 2.57 2.07 -1.25 -1.19 116.25 119.05 1kr6 h VAL 140 Ca 0.01 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1kr6 h VAL 140 Cb 0.54 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1kr6 h VAL 140 CO 0.01 0.08 -0.16 0.00 0.02 0.00 0.00 177.57 177.52 1kr6 h ALA 141 N 1.11 1.29 -0.23 1.67 0.00 -1.25 -1.18 119.26 120.67 1kr6 h ALA 141 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1kr6 h ALA 141 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1kr6 h ALA 141 CO -0.03 0.47 0.12 1.25 0.00 0.00 0.00 179.25 181.07 1kr6 h HIS 142 N 0.37 0.32 -0.31 0.00 6.17 -0.46 -1.36 115.15 119.87 1kr6 h HIS 142 Ca 0.07 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.10 1kr6 h HIS 142 Cb 0.51 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 1kr6 h HIS 142 CO 0.01 0.29 0.05 0.93 0.71 0.00 0.00 177.93 179.92 1kr6 h GLU 143 N 0.25 0.52 0.00 5.26 4.39 -0.80 -2.82 114.58 121.38 1kr6 h GLU 143 Ca 0.08 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1kr6 h GLU 143 Cb 0.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1kr6 h GLU 143 CO -0.01 0.62 -0.27 1.25 -1.16 0.00 0.00 179.01 179.43 1kr6 h LEU 144 N 0.35 0.00 -1.29 1.33 5.85 -1.17 -1.75 115.31 118.62 1kr6 h LEU 144 Ca 0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1kr6 h LEU 144 Cb 0.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1kr6 h LEU 144 CO 0.01 0.27 -0.32 0.74 -0.34 0.00 0.00 178.44 178.79 1kr6 h THR 145 N 0.00 1.00 -0.42 1.05 2.02 -1.01 -1.74 112.91 113.81 1kr6 h THR 145 Ca -0.00 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 65.93 1kr6 h THR 145 Cb 0.49 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1kr6 h THR 145 CO 0.04 0.32 0.10 0.45 0.37 0.00 0.00 175.52 176.80 1kr6 h HIS 146 N 0.00 0.63 -0.49 3.16 3.86 -1.08 0.22 115.15 121.45 1kr6 h HIS 146 Ca -0.00 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 1kr6 h HIS 146 Cb 0.67 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1kr6 h HIS 146 CO 0.00 0.54 -0.01 0.00 0.86 0.00 0.00 177.93 179.33 1kr6 h ALA 147 N 1.51 0.66 -0.46 2.45 0.00 -1.33 -0.71 119.26 121.39 1kr6 h ALA 147 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1kr6 h ALA 147 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1kr6 h ALA 147 CO -0.00 0.48 0.22 0.28 0.00 0.00 0.00 179.25 180.23 1kr6 h VAL 148 N 0.73 1.18 -0.66 0.00 2.07 -0.94 -2.43 116.25 116.21 1kr6 h VAL 148 Ca 0.14 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1kr6 h VAL 148 Cb 0.52 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1kr6 h VAL 148 CO 0.03 0.20 0.32 0.74 0.02 0.00 0.00 177.57 178.88 1kr6 h THR 149 N 0.59 1.22 -0.69 2.57 2.02 -0.79 -2.10 112.91 115.74 1kr6 h THR 149 Ca 0.16 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1kr6 h THR 149 Cb 0.11 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1kr6 h THR 149 CO -0.02 0.26 0.46 0.44 0.37 0.00 0.00 175.52 177.02 1kr6 h ASP 150 N 0.91 0.68 0.53 4.18 3.32 -0.84 0.13 116.42 125.33 1kr6 h ASP 150 Ca 0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1kr6 h ASP 150 Cb 0.11 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1kr6 h ASP 150 CO -0.03 0.45 -0.27 -1.22 -1.72 0.00 0.00 179.24 176.46 1kr6 n TYR 151 N -4.47 0.00 0.00 4.55 4.02 -0.94 -4.29 117.16 116.03 1kr6 n TYR 151 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1kr6 n TYR 151 Cb 0.17 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 1kr6 n TYR 151 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1kr6 n THR 152 N -1.25 0.00 -0.27 -0.72 -2.24 -0.75 -4.91 114.28 104.14 1kr6 n THR 152 Ca 0.09 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 1kr6 n THR 152 Cb 0.32 -0.01 0.25 0.00 -2.10 0.00 0.00 70.33 68.80 1kr6 n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kr6 h ALA 153 N 0.40 1.52 -1.48 6.98 0.00 -1.54 -3.47 119.26 121.67 1kr6 h ALA 153 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1kr6 h ALA 153 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1kr6 h ALA 153 CO 0.00 0.37 -0.28 0.41 0.00 0.00 0.00 179.25 179.76 1kr6 n GLY 154 N -1.41 0.02 3.69 0.00 0.00 0.36 -2.11 105.19 105.74 1kr6 n GLY 154 Ca 0.12 -0.43 -0.55 0.00 0.00 0.00 0.00 46.02 45.16 1kr6 n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kr6 n LEU 155 N -1.55 2.54 -4.76 0.99 4.77 -1.26 -4.28 117.00 113.45 1kr6 n LEU 155 Ca -0.13 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.50 1kr6 n LEU 155 Cb 0.58 -1.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.45 1kr6 n LEU 155 CO 0.15 -0.42 1.15 -0.63 -1.33 0.00 0.00 177.39 176.31 1kr6 s ILE 156 N 3.19 2.31 -1.59 -0.08 1.01 -0.30 -4.84 121.20 120.89 1kr6 s ILE 156 Ca 0.95 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.78 1kr6 s ILE 156 Cb -0.97 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 1kr6 s ILE 156 CO 0.60 0.05 2.89 0.00 0.00 0.00 0.00 174.94 178.47 1kr6 n TYR 157 N 1.66 2.48 -3.59 3.97 9.36 -1.26 -1.71 117.16 128.07 1kr6 n TYR 157 Ca 0.05 -3.07 -0.16 0.00 3.32 0.00 0.00 57.90 58.04 1kr6 n TYR 157 Cb 0.39 -2.44 -0.07 0.00 -0.63 0.00 0.00 39.34 36.60 1kr6 n TYR 157 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1kr6 s GLN 158 N 1.88 0.92 3.06 2.98 0.74 -1.26 -4.82 119.66 123.15 1kr6 s GLN 158 Ca 0.68 0.43 0.00 0.00 0.05 0.00 0.00 55.36 56.52 1kr6 s GLN 158 Cb 0.18 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.72 1kr6 s GLN 158 CO -0.06 -0.23 0.00 0.09 -0.55 0.00 0.00 175.29 174.53 1kr6 n ASN 159 N 1.57 0.00 -0.19 6.67 3.02 -0.41 -1.38 115.26 124.55 1kr6 n ASN 159 Ca -0.18 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.34 1kr6 n ASN 159 Cb 0.56 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.90 1kr6 n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1kr6 h GLU 160 N 0.00 0.96 -0.69 3.52 5.08 -1.91 -1.43 114.58 120.10 1kr6 h GLU 160 Ca 0.00 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1kr6 h GLU 160 Cb 0.00 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1kr6 h GLU 160 CO 0.00 0.80 0.26 0.77 -1.00 0.00 0.00 179.01 179.84 1kr6 h SER 161 N 0.94 0.95 0.02 1.42 0.02 -1.59 -1.67 113.55 113.65 1kr6 h SER 161 Ca 0.22 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1kr6 h SER 161 Cb 0.22 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1kr6 h SER 161 CO -0.02 0.86 -0.45 1.23 -1.14 0.00 0.00 176.83 177.31 1kr6 h GLY 162 N 1.08 0.56 1.37 -3.77 0.00 -0.33 -1.50 103.07 100.48 1kr6 h GLY 162 Ca 0.23 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1kr6 h GLY 162 CO -0.02 0.53 -0.11 0.00 0.00 0.00 0.00 176.54 176.94 1kr6 h ALA 163 N 1.10 1.02 -0.44 3.60 0.00 -0.84 -0.72 119.26 122.99 1kr6 h ALA 163 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1kr6 h ALA 163 Cb 0.95 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1kr6 h ALA 163 CO 0.08 0.59 -0.08 0.82 0.00 0.00 0.00 179.25 180.67 1kr6 h ILE 164 N 0.68 1.27 -0.40 0.00 2.04 -1.08 -0.44 117.51 119.59 1kr6 h ILE 164 Ca 0.12 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.86 1kr6 h ILE 164 Cb 0.58 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1kr6 h ILE 164 CO 0.04 0.40 0.12 -1.13 0.00 0.00 0.00 178.15 177.57 1kr6 h ASN 165 N 0.66 0.09 -0.34 1.72 -0.73 -0.87 -0.32 115.58 115.79 1kr6 h ASN 165 Ca 0.11 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 1kr6 h ASN 165 Cb 0.61 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 1kr6 h ASN 165 CO 0.04 0.09 0.14 -0.33 -0.37 0.00 0.00 177.43 177.00 1kr6 h GLU 166 N 0.26 0.51 -0.87 6.67 4.39 -0.91 -2.76 114.58 121.87 1kr6 h GLU 166 Ca 0.19 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1kr6 h GLU 166 Cb 0.19 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1kr6 h GLU 166 CO -0.21 0.50 0.54 0.00 -1.16 0.00 0.00 179.01 178.67 1kr6 h ALA 167 N 0.98 1.11 -0.76 3.43 0.00 -0.65 -1.32 119.26 122.06 1kr6 h ALA 167 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1kr6 h ALA 167 Cb 0.18 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1kr6 h ALA 167 CO -0.01 0.56 0.48 0.82 0.00 0.00 0.00 179.25 181.11 1kr6 h ILE 168 N 1.20 1.12 -0.41 0.00 1.08 -0.94 0.33 117.51 119.88 1kr6 h ILE 168 Ca 0.31 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.37 1kr6 h ILE 168 Cb -0.07 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 33.75 1kr6 h ILE 168 CO -0.06 0.17 -0.13 0.28 -0.69 0.00 0.00 178.15 177.73 1kr6 h SER 169 N 0.95 0.74 -0.28 1.72 0.02 -1.12 -1.19 113.55 114.39 1kr6 h SER 169 Ca 0.30 -0.22 -0.16 0.00 -0.84 0.00 0.00 61.79 60.87 1kr6 h SER 169 Cb 0.00 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 1kr6 h SER 169 CO -0.11 0.89 -0.44 0.44 -1.14 0.00 0.00 176.83 176.47 1kr6 h ASP 170 N 0.68 0.87 0.37 3.07 3.32 -0.41 -0.36 116.42 123.96 1kr6 h ASP 170 Ca 0.11 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1kr6 h ASP 170 Cb 0.60 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1kr6 h ASP 170 CO 0.04 1.22 -0.18 0.40 -1.72 0.00 0.00 179.24 179.00 1kr6 h ILE 171 N 0.55 0.64 0.00 0.35 2.04 -0.21 -0.92 117.51 119.96 1kr6 h ILE 171 Ca 0.03 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1kr6 h ILE 171 Cb 1.03 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1kr6 h ILE 171 CO 0.10 0.01 -0.33 -0.26 0.00 0.00 0.00 178.15 177.68 1kr6 h PHE 172 N -0.54 0.00 -0.64 1.37 0.04 -1.29 -0.73 116.94 115.15 1kr6 h PHE 172 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1kr6 h PHE 172 Cb 0.41 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 1kr6 h PHE 172 CO -0.04 0.33 0.19 0.78 -0.60 0.00 0.00 178.31 178.97 1kr6 h GLY 173 N 2.24 1.08 1.15 -1.45 0.00 -0.83 -0.79 103.07 104.47 1kr6 h GLY 173 Ca -0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 47.33 46.51 1kr6 h GLY 173 CO 0.04 0.60 -0.46 -0.84 0.00 0.00 0.00 176.54 175.88 1kr6 h THR 174 N 0.93 1.27 -0.32 4.70 2.02 -0.79 -2.19 112.91 118.54 1kr6 h THR 174 Ca 0.21 -1.64 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 1kr6 h THR 174 Cb 0.31 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1kr6 h THR 174 CO -0.01 0.54 -0.06 -0.07 0.37 0.00 0.00 175.52 176.30 1kr6 h LEU 175 N 0.73 0.49 -0.60 2.58 3.38 -0.89 -1.35 115.31 119.65 1kr6 h LEU 175 Ca 0.04 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1kr6 h LEU 175 Cb 1.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1kr6 h LEU 175 CO 0.11 0.60 -0.43 0.58 0.09 0.00 0.00 178.44 179.39 1kr6 h VAL 176 N 0.49 1.30 -0.76 1.22 2.07 -1.06 -0.15 116.25 119.36 1kr6 h VAL 176 Ca 0.10 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 1kr6 h VAL 176 Cb 0.40 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1kr6 h VAL 176 CO 0.02 0.51 0.40 -0.08 0.02 0.00 0.00 177.57 178.44 1kr6 h GLU 177 N 0.51 1.07 -0.12 1.57 4.81 -0.72 -0.88 114.58 120.82 1kr6 h GLU 177 Ca 0.04 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 58.96 1kr6 h GLU 177 Cb 0.95 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1kr6 h GLU 177 CO 0.09 0.80 -0.65 0.74 -0.73 0.00 0.00 179.01 179.26 1kr6 h PHE 178 N 1.07 0.59 -0.74 0.92 0.04 -0.98 -2.35 116.94 115.49 1kr6 h PHE 178 Ca 0.27 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1kr6 h PHE 178 Cb 0.06 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 1kr6 h PHE 178 CO 0.01 0.97 0.41 -0.92 -0.60 0.00 0.00 178.31 178.18 1kr6 h TYR 179 N 0.33 1.02 0.00 -0.55 3.20 -0.30 -1.95 116.97 118.71 1kr6 h TYR 179 Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1kr6 h TYR 179 Cb 1.20 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1kr6 h TYR 179 CO 0.04 0.71 -0.02 0.00 -1.64 0.00 0.00 178.16 177.26 1kr6 n ALA 180 N -2.35 2.35 -3.83 1.82 0.00 -0.40 -4.93 120.51 113.16 1kr6 n ALA 180 Ca 0.07 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1kr6 n ALA 180 Cb 0.09 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.12 1kr6 n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kr6 n ASN 181 N -1.76 -4.39 -4.33 0.00 2.85 -0.74 -4.93 115.26 101.97 1kr6 n ASN 181 Ca 0.06 -0.75 -0.46 0.00 -0.11 0.00 0.00 54.58 53.32 1kr6 n ASN 181 Cb 0.37 -4.08 -0.02 0.00 1.24 0.00 0.00 39.78 37.29 1kr6 n ASN 181 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1kr6 s LYS 182 N -6.46 3.76 -1.14 1.20 2.20 -1.15 -4.69 119.74 113.45 1kr6 s LYS 182 Ca 0.54 -2.67 -0.33 0.00 -0.36 0.00 0.00 55.97 53.15 1kr6 s LYS 182 Cb -0.26 -4.46 0.05 0.00 -1.51 0.00 0.00 37.83 31.64 1kr6 s LYS 182 CO 0.81 -1.28 0.62 0.09 -0.36 0.00 0.00 175.35 175.24 1kr6 n ASN 183 N 3.62 -3.70 -4.76 1.43 3.02 -1.26 -4.83 115.26 108.78 1kr6 n ASN 183 Ca 0.17 -1.23 -0.38 0.00 -0.03 0.00 0.00 54.58 53.11 1kr6 n ASN 183 Cb 0.45 -1.47 0.01 0.00 -0.61 0.00 0.00 39.78 38.16 1kr6 n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1kr6 s PRO 184 N -7.35 3.56 0.37 3.52 0.04 -1.26 -5.04 135.00 128.84 1kr6 s PRO 184 Ca 0.45 1.99 -0.13 0.00 0.04 0.00 0.00 61.00 63.35 1kr6 s PRO 184 Cb -0.25 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 31.94 1kr6 s PRO 184 CO 0.91 -0.78 0.72 -0.40 0.04 0.00 0.00 177.00 177.49 1kr6 n ASP 185 N -0.61 -2.10 -1.66 6.66 5.68 -1.26 -5.05 116.55 118.21 1kr6 n ASP 185 Ca 0.08 -2.51 -0.14 0.00 -0.50 0.00 0.00 54.79 51.72 1kr6 n ASP 185 Cb 0.46 3.52 0.18 0.00 -1.14 0.00 0.00 41.12 44.14 1kr6 n ASP 185 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1kr6 n TRP 186 N -0.50 2.00 -4.18 2.11 7.02 -1.26 -4.94 117.44 117.69 1kr6 n TRP 186 Ca -0.08 -1.82 -0.24 0.00 -1.02 0.00 0.00 57.50 54.34 1kr6 n TRP 186 Cb 0.56 -0.71 -0.06 0.00 -2.42 0.00 0.00 31.31 28.67 1kr6 n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1kr6 s GLU 187 N -3.33 2.65 -0.19 -0.99 0.41 -1.26 -0.78 118.70 115.22 1kr6 s GLU 187 Ca 0.51 -1.13 -0.01 0.00 -0.41 0.00 0.00 54.97 53.92 1kr6 s GLU 187 Cb 0.44 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 1kr6 s GLU 187 CO 0.04 0.42 -0.12 0.42 -0.49 0.00 0.00 175.26 175.52 1kr6 s ILE 188 N -2.04 2.81 -0.11 -1.63 -1.09 0.23 -4.69 121.20 114.67 1kr6 s ILE 188 Ca 0.31 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1kr6 s ILE 188 Cb -0.08 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1kr6 s ILE 188 CO 0.22 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.03 1kr6 n GLY 189 N 4.46 0.49 0.33 6.18 0.00 -1.26 -1.65 105.19 113.74 1kr6 n GLY 189 Ca -0.19 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.63 1kr6 n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1kr6 h GLU 190 N 0.55 0.00 0.00 1.61 9.09 -1.84 -2.05 114.58 121.94 1kr6 h GLU 190 Ca -0.02 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.35 1kr6 h GLU 190 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 1kr6 h GLU 190 CO 0.03 0.00 -0.18 -0.44 0.05 0.00 0.00 179.01 178.47 1kr6 h ASP 191 N 0.00 0.00 -0.00 3.06 3.32 -1.92 -3.31 116.42 117.56 1kr6 h ASP 191 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1kr6 h ASP 191 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1kr6 h ASP 191 CO -0.00 0.18 0.00 1.33 -1.72 0.00 0.00 179.24 179.03 1kr6 n VAL 192 N -3.24 0.10 -3.44 -1.35 0.24 -0.95 -4.90 118.33 104.79 1kr6 n VAL 192 Ca 0.01 -0.55 -0.38 0.00 -2.04 0.00 0.00 64.34 61.38 1kr6 n VAL 192 Cb 0.48 0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1kr6 n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1kr6 s TYR 193 N -0.14 3.64 -0.45 6.34 5.04 -0.81 -1.78 117.35 129.19 1kr6 s TYR 193 Ca 0.01 0.93 -0.21 0.00 -2.44 0.00 0.00 57.07 55.36 1kr6 s TYR 193 Cb 0.00 -2.38 0.03 0.00 0.35 0.00 0.00 41.96 39.96 1kr6 s TYR 193 CO 0.01 0.45 0.50 0.25 -1.34 0.00 0.00 175.55 175.42 1kr6 n THR 194 N 2.57 -2.82 0.32 4.34 -2.24 0.81 -4.79 114.28 112.46 1kr6 n THR 194 Ca -0.12 0.03 0.19 0.00 -2.27 0.00 0.00 64.05 61.89 1kr6 n THR 194 Cb 0.52 -2.56 1.02 0.00 -2.10 0.00 0.00 70.33 67.21 1kr6 n THR 194 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1kr6 h PRO 195 N 1.08 0.00 -0.01 -0.78 0.13 -1.83 0.24 132.00 130.83 1kr6 h PRO 195 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1kr6 h PRO 195 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1kr6 h PRO 195 CO 0.22 0.00 -0.09 0.41 -0.23 0.00 0.00 178.00 178.31 1kr6 n GLY 196 N -1.18 -0.61 2.94 1.56 0.00 -1.26 -4.77 105.19 101.87 1kr6 n GLY 196 Ca -0.02 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1kr6 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kr6 s ILE 197 N -2.27 0.97 0.14 -0.61 1.01 0.07 -5.14 121.20 115.37 1kr6 s ILE 197 Ca 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 1kr6 s ILE 197 Cb 0.20 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 1kr6 s ILE 197 CO 0.43 0.34 0.34 -0.94 0.00 0.00 0.00 174.94 175.10 1kr6 s SER 198 N 1.25 6.43 0.00 3.58 1.04 -1.26 -4.45 113.70 120.28 1kr6 s SER 198 Ca -0.04 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1kr6 s SER 198 Cb -0.14 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1kr6 s SER 198 CO -0.03 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1kr6 n GLY 199 N -0.09 0.94 3.89 7.32 0.00 -1.26 -5.05 105.19 110.94 1kr6 n GLY 199 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1kr6 n GLY 199 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kr6 n ASP 200 N 0.00 2.69 -3.18 1.61 5.75 -1.26 -5.15 116.55 117.01 1kr6 n ASP 200 Ca 0.00 -2.87 -0.07 0.00 -0.01 0.00 0.00 54.79 51.84 1kr6 n ASP 200 Cb 0.00 -0.10 0.02 0.00 -1.03 0.00 0.00 41.12 40.00 1kr6 n ASP 200 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1kr6 s SER 201 N -4.34 -0.03 0.01 -1.12 1.04 -1.26 -4.54 113.70 103.45 1kr6 s SER 201 Ca 0.36 -0.92 -0.17 0.00 0.48 0.00 0.00 55.95 55.70 1kr6 s SER 201 Cb -0.03 0.72 -0.35 0.00 0.10 0.00 0.00 66.02 66.47 1kr6 s SER 201 CO 0.23 -1.42 0.95 0.25 0.98 0.00 0.00 173.24 174.23 1kr6 h LEU 202 N 2.00 0.75 -8.00 2.42 5.85 -1.59 -3.47 115.31 113.26 1kr6 h LEU 202 Ca -0.29 -0.93 -0.12 0.00 0.84 0.00 0.00 57.88 57.38 1kr6 h LEU 202 Cb 1.24 -0.24 -0.16 0.00 0.37 0.00 0.00 40.66 41.86 1kr6 h LEU 202 CO 0.37 1.65 -0.57 -0.13 -0.34 0.00 0.00 178.44 179.42 1kr6 s ARG 203 N -2.56 0.61 -0.06 1.25 0.52 -1.21 -4.98 118.95 112.52 1kr6 s ARG 203 Ca -0.11 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.20 1kr6 s ARG 203 Cb 0.03 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.74 1kr6 s ARG 203 CO 0.91 -0.15 -0.14 0.45 0.02 0.00 0.00 175.30 176.39 1kr6 s SER 204 N -2.45 1.98 -0.03 0.23 0.15 -1.26 -0.60 113.70 111.71 1kr6 s SER 204 Ca -0.00 -0.34 0.07 0.00 0.70 0.00 0.00 55.95 56.38 1kr6 s SER 204 Cb 0.02 -0.83 -0.24 0.00 -1.71 0.00 0.00 66.02 63.26 1kr6 s SER 204 CO -0.07 0.07 0.71 0.24 1.20 0.00 0.00 173.24 175.39 1kr6 h MET 205 N 6.78 0.08 -0.16 5.44 0.00 -1.30 -2.73 114.93 123.04 1kr6 h MET 205 Ca -0.30 -0.14 -0.15 0.00 0.00 0.00 0.00 59.70 59.12 1kr6 h MET 205 Cb 1.19 0.05 -0.01 0.00 0.00 0.00 0.00 31.60 32.83 1kr6 h MET 205 CO 0.48 0.76 -0.53 0.66 0.00 0.00 0.00 176.91 178.27 1kr6 h SER 206 N 0.02 0.51 -1.61 1.22 4.64 -1.88 -3.32 113.55 113.13 1kr6 h SER 206 Ca -0.27 -0.27 -0.36 0.00 -0.47 0.00 0.00 61.79 60.43 1kr6 h SER 206 Cb 1.99 -0.15 -0.26 0.00 -0.31 0.00 0.00 62.40 63.67 1kr6 h SER 206 CO 0.10 0.95 -0.72 -0.67 -0.87 0.00 0.00 176.83 175.61 1kr6 n ASP 207 N -3.95 -2.06 -0.26 4.97 2.03 -1.26 -5.01 116.55 111.01 1kr6 n ASP 207 Ca -0.03 -2.67 0.14 0.00 0.52 0.00 0.00 54.79 52.75 1kr6 n ASP 207 Cb 0.59 0.68 0.42 0.00 -0.72 0.00 0.00 41.12 42.09 1kr6 n ASP 207 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1kr6 h PRO 208 N 5.25 0.58 -0.00 -0.67 0.11 -1.69 -1.60 132.00 133.97 1kr6 h PRO 208 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1kr6 h PRO 208 Cb 1.01 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1kr6 h PRO 208 CO 0.19 0.38 0.02 0.00 -0.21 0.00 0.00 178.00 178.37 1kr6 h ALA 209 N 1.61 1.06 -0.44 -0.75 0.00 -1.73 -2.09 119.26 116.92 1kr6 h ALA 209 Ca 0.46 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.46 1kr6 h ALA 209 Cb 0.88 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1kr6 h ALA 209 CO -0.21 -0.02 0.30 -0.22 0.00 0.00 0.00 179.25 179.11 1kr6 h LYS 210 N 0.00 0.18 -0.20 0.00 3.64 -1.57 -1.20 116.57 117.41 1kr6 h LYS 210 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1kr6 h LYS 210 Cb 0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1kr6 h LYS 210 CO -0.00 0.12 -0.02 0.66 -2.27 0.00 0.00 179.45 177.94 1kr6 n TYR 211 N -4.45 0.71 -0.80 1.91 4.01 -0.83 -4.96 117.16 112.75 1kr6 n TYR 211 Ca 0.07 -1.01 0.00 0.00 -0.16 0.00 0.00 57.90 56.80 1kr6 n TYR 211 Cb 0.38 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1kr6 n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kr6 n GLY 212 N -0.83 0.71 3.85 2.72 0.00 -0.45 -5.05 105.19 106.14 1kr6 n GLY 212 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1kr6 n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kr6 s ASP 213 N -2.36 6.78 0.40 1.61 1.01 -0.95 -4.93 116.67 118.24 1kr6 s ASP 213 Ca 0.00 1.08 -0.26 0.00 0.71 0.00 0.00 52.55 54.08 1kr6 s ASP 213 Cb 0.00 -2.29 -0.09 0.00 1.01 0.00 0.00 42.92 41.55 1kr6 s ASP 213 CO 0.00 0.01 1.34 -2.16 0.21 0.00 0.00 175.17 174.57 1kr6 s PRO 214 N -2.32 3.97 -0.07 8.23 0.04 -1.26 -2.19 135.00 141.40 1kr6 s PRO 214 Ca 0.43 2.23 0.10 0.00 0.04 0.00 0.00 61.00 63.81 1kr6 s PRO 214 Cb -0.13 -2.79 0.16 0.00 0.04 0.00 0.00 34.50 31.78 1kr6 s PRO 214 CO 0.20 -0.52 1.06 -0.40 0.04 0.00 0.00 177.00 177.38 1kr6 n ASP 215 N 0.17 1.96 -3.66 6.66 5.68 -1.26 -2.72 116.55 123.37 1kr6 n ASP 215 Ca 0.03 -2.56 -0.14 0.00 -0.50 0.00 0.00 54.79 51.62 1kr6 n ASP 215 Cb 0.43 -0.25 -0.08 0.00 -1.14 0.00 0.00 41.12 40.07 1kr6 n ASP 215 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1kr6 s HIS 216 N -1.92 -0.59 0.54 2.11 5.04 -1.26 -4.71 115.29 114.50 1kr6 s HIS 216 Ca 0.18 1.35 0.24 0.00 -1.54 0.00 0.00 55.06 55.28 1kr6 s HIS 216 Cb 0.15 0.24 1.41 0.00 0.04 0.00 0.00 32.58 34.43 1kr6 s HIS 216 CO 0.02 -0.36 2.05 -0.92 -2.34 0.00 0.00 174.74 173.19 1kr6 h TYR 217 N 4.71 0.00 0.00 3.88 3.20 -0.64 -0.09 116.97 128.03 1kr6 h TYR 217 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1kr6 h TYR 217 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1kr6 h TYR 217 CO 0.41 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.59 1kr6 h SER 218 N 0.00 0.00 -0.50 -2.11 4.64 -1.88 -2.57 113.55 111.12 1kr6 h SER 218 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1kr6 h SER 218 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1kr6 h SER 218 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1kr6 n LYS 219 N -2.80 3.41 -1.92 4.77 5.02 -0.05 -5.02 118.16 121.57 1kr6 n LYS 219 Ca 0.00 -2.71 -0.38 0.00 -2.02 0.00 0.00 58.31 53.21 1kr6 n LYS 219 Cb 0.23 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1kr6 n LYS 219 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1kr6 s ARG 220 N -1.88 3.31 -0.03 1.97 1.70 -0.97 -4.67 118.95 118.39 1kr6 s ARG 220 Ca 0.43 2.10 -0.28 0.00 -0.47 0.00 0.00 55.73 57.52 1kr6 s ARG 220 Cb 0.29 -2.30 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 1kr6 s ARG 220 CO 0.19 -1.01 0.90 -0.47 -1.08 0.00 0.00 175.30 173.83 1kr6 s TYR 221 N -1.37 3.62 -0.76 5.89 5.04 -1.26 -4.95 117.35 123.56 1kr6 s TYR 221 Ca 0.69 1.55 0.08 0.00 -2.44 0.00 0.00 57.07 56.96 1kr6 s TYR 221 Cb -0.37 -3.03 0.22 0.00 0.35 0.00 0.00 41.96 39.13 1kr6 s TYR 221 CO 0.44 0.00 1.15 0.25 -1.34 0.00 0.00 175.55 176.05 1kr6 n THR 222 N 3.92 0.89 -0.75 4.34 -2.24 -1.26 -4.82 114.28 114.36 1kr6 n THR 222 Ca 0.04 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1kr6 n THR 222 Cb 0.51 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1kr6 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kr6 n GLY 223 N 0.31 -1.39 0.00 3.38 0.00 -1.26 -5.03 105.19 101.21 1kr6 n GLY 223 Ca 0.09 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.56 1kr6 n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kr6 n THR 224 N -1.83 0.00 -1.63 2.61 -2.24 -1.26 -4.28 114.28 105.66 1kr6 n THR 224 Ca 0.00 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 1kr6 n THR 224 Cb 0.00 0.89 0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1kr6 n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1kr6 s GLN 225 N -2.48 2.54 -1.43 -0.78 -0.21 -1.26 -3.03 119.66 113.00 1kr6 s GLN 225 Ca 0.04 1.52 -0.08 0.00 0.02 0.00 0.00 55.36 56.86 1kr6 s GLN 225 Cb 0.11 -1.91 0.05 0.00 1.00 0.00 0.00 33.01 32.26 1kr6 s GLN 225 CO 0.61 -1.48 0.91 -3.47 -2.12 0.00 0.00 175.29 169.74 1kr6 n ASP 226 N -2.55 -3.63 -3.82 5.90 2.03 -1.26 -0.74 116.55 112.48 1kr6 n ASP 226 Ca 0.11 -0.77 -0.29 0.00 0.52 0.00 0.00 54.79 54.36 1kr6 n ASP 226 Cb 0.51 -4.09 0.02 0.00 -0.72 0.00 0.00 41.12 36.84 1kr6 n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kr6 n ASN 227 N -2.94 -4.77 0.00 1.67 3.02 -1.23 -1.38 115.26 109.64 1kr6 n ASN 227 Ca -0.09 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1kr6 n ASN 227 Cb 0.59 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 1kr6 n ASN 227 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kr6 n GLY 228 N -1.62 0.79 2.28 7.41 0.00 -0.58 -1.29 105.19 112.18 1kr6 n GLY 228 Ca 0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1kr6 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kr6 n GLY 229 N -1.73 0.39 0.27 -0.02 0.00 0.08 -4.37 105.19 99.80 1kr6 n GLY 229 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1kr6 n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1kr6 h VAL 230 N -0.99 1.14 -0.01 1.61 -1.51 -1.48 0.18 116.25 115.19 1kr6 h VAL 230 Ca -0.21 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1kr6 h VAL 230 Cb 1.14 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1kr6 h VAL 230 CO 0.21 0.18 -0.26 1.41 -1.23 0.00 0.00 177.57 177.87 1kr6 n HIS 231 N -4.36 0.00 -0.10 5.19 8.25 -1.26 -3.59 115.22 119.34 1kr6 n HIS 231 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1kr6 n HIS 231 Cb 0.19 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 1kr6 n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1kr6 n ILE 232 N -0.48 1.50 0.44 1.59 5.41 -0.65 -4.49 119.36 122.68 1kr6 n ILE 232 Ca 0.12 -0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.94 1kr6 n ILE 232 Cb 0.37 -2.22 0.31 0.00 -0.71 0.00 0.00 39.64 37.39 1kr6 n ILE 232 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1kr6 n ASN 233 N -4.42 0.09 0.28 4.38 3.02 0.53 -2.05 115.26 117.10 1kr6 n ASN 233 Ca -0.25 0.52 0.15 0.00 -0.03 0.00 0.00 54.58 54.97 1kr6 n ASN 233 Cb 0.60 -0.54 0.83 0.00 -0.61 0.00 0.00 39.78 40.06 1kr6 n ASN 233 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1kr6 h SER 234 N 0.00 0.00 -0.32 6.41 4.64 -1.75 -2.13 113.55 120.41 1kr6 h SER 234 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1kr6 h SER 234 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1kr6 h SER 234 CO 0.00 0.07 0.21 1.23 -0.87 0.00 0.00 176.83 177.48 1kr6 h GLY 235 N 0.69 0.33 0.96 -0.77 0.00 -1.62 0.20 103.07 102.86 1kr6 h GLY 235 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1kr6 h GLY 235 CO 0.01 0.10 0.07 -2.22 0.00 0.00 0.00 176.54 174.50 1kr6 h ILE 236 N 0.29 1.25 0.00 2.60 2.04 -1.17 -0.83 117.51 121.69 1kr6 h ILE 236 Ca 0.13 -0.90 -0.25 0.00 1.00 0.00 0.00 64.86 64.84 1kr6 h ILE 236 Cb 0.16 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1kr6 h ILE 236 CO -0.03 0.31 -1.00 0.40 0.00 0.00 0.00 178.15 177.83 1kr6 h ILE 237 N 0.59 1.33 -0.89 -0.67 1.08 -1.48 -2.80 117.51 114.68 1kr6 h ILE 237 Ca 0.13 -2.33 0.01 0.00 -0.39 0.00 0.00 64.86 62.29 1kr6 h ILE 237 Cb 0.38 2.40 -0.05 0.00 -3.07 0.00 0.00 36.82 36.49 1kr6 h ILE 237 CO 0.01 0.71 0.59 0.78 -0.69 0.00 0.00 178.15 179.55 1kr6 h ASN 238 N 0.33 1.01 -0.62 1.72 2.35 -0.53 -0.54 115.58 119.29 1kr6 h ASN 238 Ca -0.11 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1kr6 h ASN 238 Cb 1.65 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.74 1kr6 h ASN 238 CO 0.19 0.73 0.21 0.50 -1.65 0.00 0.00 177.43 177.40 1kr6 h LYS 239 N 1.19 0.96 -0.63 0.81 1.63 -1.16 -0.86 116.57 118.51 1kr6 h LYS 239 Ca 0.33 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1kr6 h LYS 239 Cb -0.12 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.34 1kr6 h LYS 239 CO -0.08 0.84 0.37 0.00 -3.45 0.00 0.00 179.45 177.14 1kr6 h ALA 240 N 1.07 0.81 -0.58 5.00 0.00 -1.11 -0.93 119.26 123.52 1kr6 h ALA 240 Ca 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1kr6 h ALA 240 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1kr6 h ALA 240 CO -0.01 0.30 0.17 0.00 0.00 0.00 0.00 179.25 179.71 1kr6 h ALA 241 N 1.19 0.76 -0.67 0.00 0.00 -0.82 -0.95 119.26 118.76 1kr6 h ALA 241 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kr6 h ALA 241 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1kr6 h ALA 241 CO -0.04 0.44 0.42 -0.92 0.00 0.00 0.00 179.25 179.15 1kr6 h TYR 242 N 0.83 0.87 -0.49 0.00 3.20 -0.79 -2.11 116.97 118.47 1kr6 h TYR 242 Ca 0.19 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1kr6 h TYR 242 Cb 0.30 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1kr6 h TYR 242 CO 0.02 0.57 0.05 -0.07 -1.64 0.00 0.00 178.16 177.09 1kr6 h LEU 243 N 0.91 0.81 -0.74 2.82 3.38 -0.87 0.18 115.31 121.80 1kr6 h LEU 243 Ca 0.24 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1kr6 h LEU 243 Cb -0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1kr6 h LEU 243 CO -0.05 0.88 0.45 0.40 0.09 0.00 0.00 178.44 180.21 1kr6 h ILE 244 N 0.70 1.04 0.04 1.22 2.04 -0.88 0.49 117.51 122.16 1kr6 h ILE 244 Ca 0.15 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1kr6 h ILE 244 Cb 0.44 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1kr6 h ILE 244 CO 0.02 0.15 -0.02 -1.28 0.00 0.00 0.00 178.15 177.02 1kr6 h SER 245 N 0.84 -0.05 0.54 1.72 0.87 -1.17 0.39 113.55 116.70 1kr6 h SER 245 Ca 0.32 -0.60 -0.08 0.00 -1.23 0.00 0.00 61.79 60.20 1kr6 h SER 245 Cb 0.12 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1kr6 h SER 245 CO -0.15 0.69 -1.52 0.00 -0.53 0.00 0.00 176.83 175.32 1kr6 n GLN 246 N -4.75 0.63 0.00 2.24 1.13 0.60 -1.31 117.38 115.92 1kr6 n GLN 246 Ca -0.07 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1kr6 n GLN 246 Cb 0.31 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.96 1kr6 n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kr6 n GLY 247 N 1.31 -1.42 0.00 1.08 0.00 0.17 -4.35 105.19 101.98 1kr6 n GLY 247 Ca -0.07 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1kr6 n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kr6 n GLY 248 N -1.40 2.29 3.28 -0.02 0.00 -0.32 -4.75 105.19 104.27 1kr6 n GLY 248 Ca 0.00 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1kr6 n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kr6 s THR 249 N -1.60 3.06 -0.12 2.61 2.01 -1.26 -0.48 115.64 119.86 1kr6 s THR 249 Ca 0.00 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1kr6 s THR 249 Cb 0.00 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1kr6 s THR 249 CO 0.00 0.46 -0.14 -2.28 -0.69 0.00 0.00 174.62 171.97 1kr6 s HIS 250 N 1.29 2.03 -1.50 4.92 5.04 -0.18 -4.72 115.29 122.16 1kr6 s HIS 250 Ca 0.03 -1.03 -0.13 0.00 -1.54 0.00 0.00 55.06 52.39 1kr6 s HIS 250 Cb -0.14 -1.48 0.08 0.00 0.04 0.00 0.00 32.58 31.07 1kr6 s HIS 250 CO -0.04 -0.56 0.89 0.66 -2.34 0.00 0.00 174.74 173.35 1kr6 n TYR 251 N 4.46 -2.21 -0.58 3.88 4.01 -1.26 -1.40 117.16 124.05 1kr6 n TYR 251 Ca -0.18 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.38 1kr6 n TYR 251 Cb 0.51 -3.87 0.00 0.00 -0.31 0.00 0.00 39.34 35.66 1kr6 n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kr6 n GLY 252 N -1.61 1.47 3.58 2.72 0.00 -1.26 -5.02 105.19 105.07 1kr6 n GLY 252 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1kr6 n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kr6 s VAL 253 N -3.45 4.82 -0.06 1.61 1.01 -0.49 -5.08 120.40 118.75 1kr6 s VAL 253 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 1kr6 s VAL 253 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1kr6 s VAL 253 CO 0.00 0.37 0.43 -0.44 0.00 0.00 0.00 175.10 175.46 1kr6 s SER 254 N 1.07 6.72 -0.07 3.32 0.01 -1.26 -1.01 113.70 122.47 1kr6 s SER 254 Ca 0.05 0.86 0.03 0.00 1.31 0.00 0.00 55.95 58.20 1kr6 s SER 254 Cb -0.14 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1kr6 s SER 254 CO 0.04 0.17 -0.16 -0.69 0.41 0.00 0.00 173.24 173.00 1kr6 s VAL 255 N -0.21 1.43 -0.27 3.43 1.01 0.37 -4.90 120.40 121.25 1kr6 s VAL 255 Ca 0.24 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1kr6 s VAL 255 Cb -0.16 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1kr6 s VAL 255 CO 0.11 0.42 0.64 -0.69 0.00 0.00 0.00 175.10 175.58 1kr6 s VAL 256 N 0.51 4.95 0.45 2.92 1.01 -1.26 -1.17 120.40 127.81 1kr6 s VAL 256 Ca -0.15 1.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.64 1kr6 s VAL 256 Cb -0.16 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1kr6 s VAL 256 CO 0.05 -0.05 1.20 -0.83 0.00 0.00 0.00 175.10 175.48 1kr6 s GLY 257 N 1.54 2.83 0.00 4.51 0.00 -1.26 -4.75 107.32 110.18 1kr6 s GLY 257 Ca 0.26 1.02 0.05 0.00 0.00 0.00 0.00 44.72 46.05 1kr6 s GLY 257 CO 0.10 1.52 0.81 0.29 0.00 0.00 0.00 173.10 175.81 1kr6 n ILE 258 N -0.31 0.33 0.00 0.90 -5.35 0.13 -4.86 119.36 110.19 1kr6 n ILE 258 Ca 0.06 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1kr6 n ILE 258 Cb 0.47 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 1kr6 n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kr6 n GLY 259 N 0.17 1.14 0.28 3.28 0.00 -0.43 -4.52 105.19 105.11 1kr6 n GLY 259 Ca 0.04 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 1kr6 n GLY 259 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kr6 h ARG 260 N 0.00 0.92 -0.39 1.61 3.08 -1.94 -2.60 114.38 115.06 1kr6 h ARG 260 Ca 0.00 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 1kr6 h ARG 260 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1kr6 h ARG 260 CO 0.00 1.03 0.24 -0.44 -1.07 0.00 0.00 179.97 179.72 1kr6 h ASP 261 N 0.80 0.47 0.14 7.04 3.32 -1.99 -1.01 116.42 125.20 1kr6 h ASP 261 Ca 0.11 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1kr6 h ASP 261 Cb 0.74 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1kr6 h ASP 261 CO 0.06 0.39 -0.44 0.11 -1.72 0.00 0.00 179.24 177.63 1kr6 h LYS 262 N 0.52 0.37 -0.34 3.56 1.57 -1.79 -1.88 116.57 118.58 1kr6 h LYS 262 Ca 0.14 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1kr6 h LYS 262 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1kr6 h LYS 262 CO -0.03 0.75 0.22 1.25 -0.57 0.00 0.00 179.45 181.07 1kr6 h LEU 263 N 0.30 0.39 -0.56 2.94 5.85 -1.09 -0.64 115.31 122.51 1kr6 h LEU 263 Ca 0.02 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1kr6 h LEU 263 Cb 0.91 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1kr6 h LEU 263 CO 0.08 0.30 0.30 1.23 -0.34 0.00 0.00 178.44 180.01 1kr6 h GLY 264 N 0.45 0.84 1.01 3.75 0.00 -0.97 -1.38 103.07 106.78 1kr6 h GLY 264 Ca 0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1kr6 h GLY 264 CO -0.03 0.37 0.20 0.50 0.00 0.00 0.00 176.54 177.59 1kr6 h LYS 265 N 0.75 0.96 -0.17 4.80 1.57 -1.05 -0.17 116.57 123.26 1kr6 h LYS 265 Ca 0.20 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1kr6 h LYS 265 Cb 0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1kr6 h LYS 265 CO -0.03 0.85 -0.00 0.82 -0.57 0.00 0.00 179.45 180.51 1kr6 h ILE 266 N 0.89 1.25 -0.03 1.86 2.04 -0.94 -2.41 117.51 120.18 1kr6 h ILE 266 Ca 0.20 -0.85 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 1kr6 h ILE 266 Cb 0.28 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1kr6 h ILE 266 CO -0.01 0.26 -0.59 -0.26 0.00 0.00 0.00 178.15 177.55 1kr6 h PHE 267 N 0.06 0.13 -0.43 1.37 -1.00 -1.20 -1.87 116.94 113.99 1kr6 h PHE 267 Ca 0.05 -0.05 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 1kr6 h PHE 267 Cb 0.38 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1kr6 h PHE 267 CO 0.03 0.66 -0.28 -0.92 -1.61 0.00 0.00 178.31 176.20 1kr6 h TYR 268 N 0.08 1.09 -0.43 -0.55 3.20 -1.02 -0.76 116.97 118.58 1kr6 h TYR 268 Ca -0.01 -0.28 -0.08 0.00 3.14 0.00 0.00 58.73 61.50 1kr6 h TYR 268 Cb 1.06 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1kr6 h TYR 268 CO 0.01 1.10 -0.05 -0.09 -1.64 0.00 0.00 178.16 177.48 1kr6 h ARG 269 N 0.79 0.80 -0.44 1.82 2.43 -1.33 -1.09 114.38 117.35 1kr6 h ARG 269 Ca 0.09 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1kr6 h ARG 269 Cb 0.85 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1kr6 h ARG 269 CO 0.08 0.89 0.28 0.00 -1.51 0.00 0.00 179.97 179.71 1kr6 h ALA 270 N 0.88 0.56 -0.49 2.80 0.00 -1.20 0.56 119.26 122.37 1kr6 h ALA 270 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1kr6 h ALA 270 Cb 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1kr6 h ALA 270 CO 0.03 0.04 0.25 1.25 0.00 0.00 0.00 179.25 180.82 1kr6 h LEU 271 N 0.59 0.63 0.00 0.00 5.85 -0.96 -0.91 115.31 120.51 1kr6 h LEU 271 Ca 0.16 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1kr6 h LEU 271 Cb -0.03 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1kr6 h LEU 271 CO -0.03 0.56 -0.66 0.71 -0.34 0.00 0.00 178.44 178.68 1kr6 h THR 272 N 0.65 0.00 0.00 1.05 1.35 -1.04 -3.24 112.91 111.68 1kr6 h THR 272 Ca 0.17 -0.56 -0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1kr6 h THR 272 Cb 0.09 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1kr6 h THR 272 CO -0.02 0.00 -1.01 0.00 -0.25 0.00 0.00 175.52 174.23 1kr6 n GLN 273 N -2.20 3.61 -0.02 4.72 1.13 0.17 -4.92 117.38 119.88 1kr6 n GLN 273 Ca 0.03 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.08 1kr6 n GLN 273 Cb 0.45 -1.00 -0.03 0.00 0.11 0.00 0.00 30.24 29.77 1kr6 n GLN 273 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1kr6 n TYR 274 N -2.05 0.00 -2.61 1.08 4.01 -0.70 -5.05 117.16 111.84 1kr6 n TYR 274 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1kr6 n TYR 274 Cb 0.51 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 1kr6 n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1kr6 s LEU 275 N -4.07 3.88 0.34 7.72 1.43 -0.43 -5.00 118.68 122.55 1kr6 s LEU 275 Ca -0.02 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 1kr6 s LEU 275 Cb 0.01 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 1kr6 s LEU 275 CO 0.16 -0.67 0.08 0.42 0.23 0.00 0.00 176.35 176.57 1kr6 s THR 276 N -2.02 0.95 0.47 5.49 -4.23 -1.26 -4.56 115.64 110.47 1kr6 s THR 276 Ca 0.66 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.38 1kr6 s THR 276 Cb -0.15 -2.64 0.40 0.00 1.34 0.00 0.00 72.50 71.45 1kr6 s THR 276 CO 0.18 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.52 1kr6 h PRO 277 N 2.04 0.24 -0.38 3.99 0.11 -1.61 -2.69 132.00 133.71 1kr6 h PRO 277 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1kr6 h PRO 277 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1kr6 h PRO 277 CO 0.65 0.16 0.00 0.25 -0.21 0.00 0.00 178.00 178.85 1kr6 n THR 278 N -4.43 2.00 -1.76 -1.15 -2.24 -1.26 -1.15 114.28 104.29 1kr6 n THR 278 Ca 0.16 -1.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.00 1kr6 n THR 278 Cb 0.68 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1kr6 n THR 278 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kr6 n SER 279 N 0.12 3.89 -4.35 3.42 7.64 -1.01 -4.85 113.62 118.49 1kr6 n SER 279 Ca 0.21 1.17 -0.19 0.00 1.01 0.00 0.00 58.87 61.07 1kr6 n SER 279 Cb 0.83 -1.61 0.02 0.00 -1.01 0.00 0.00 64.21 62.44 1kr6 n SER 279 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1kr6 n ASN 280 N 1.64 2.18 -0.18 6.43 0.23 -1.26 -3.61 115.26 120.69 1kr6 n ASN 280 Ca 0.06 -2.44 -0.04 0.00 -0.53 0.00 0.00 54.58 51.64 1kr6 n ASN 280 Cb 0.38 -0.15 0.06 0.00 -2.08 0.00 0.00 39.78 37.99 1kr6 n ASN 280 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1kr6 h PHE 281 N 0.43 0.48 -0.77 -2.53 -1.00 -1.96 -0.58 116.94 111.01 1kr6 h PHE 281 Ca -0.26 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.54 1kr6 h PHE 281 Cb 1.03 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.42 1kr6 h PHE 281 CO 0.00 0.22 0.49 1.03 -1.61 0.00 0.00 178.31 178.44 1kr6 h SER 282 N 0.50 0.90 0.73 2.17 0.87 -1.94 -1.26 113.55 115.52 1kr6 h SER 282 Ca 0.24 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1kr6 h SER 282 Cb 0.17 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1kr6 h SER 282 CO -0.18 0.67 -0.59 1.56 -0.53 0.00 0.00 176.83 177.76 1kr6 h GLN 283 N 1.05 0.00 -0.49 2.24 4.20 -1.76 -2.54 115.11 117.80 1kr6 h GLN 283 Ca 0.28 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.90 1kr6 h GLN 283 Cb -0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1kr6 h GLN 283 CO -0.06 0.59 -0.03 1.25 -0.67 0.00 0.00 178.83 179.92 1kr6 h LEU 284 N 0.00 0.87 -0.30 1.46 5.85 -0.14 -0.14 115.31 122.92 1kr6 h LEU 284 Ca -0.01 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1kr6 h LEU 284 Cb 1.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1kr6 h LEU 284 CO 0.08 0.98 0.15 -0.09 -0.34 0.00 0.00 178.44 179.22 1kr6 h ARG 285 N 0.74 0.30 -0.74 1.25 2.43 -1.08 0.13 114.38 117.41 1kr6 h ARG 285 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1kr6 h ARG 285 Cb 0.55 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 1kr6 h ARG 285 CO 0.03 0.20 0.48 0.00 -1.51 0.00 0.00 179.97 179.17 1kr6 h ALA 286 N 1.15 0.94 -0.58 2.80 0.00 -1.22 -0.66 119.26 121.69 1kr6 h ALA 286 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1kr6 h ALA 286 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1kr6 h ALA 286 CO -0.09 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.65 1kr6 h ALA 287 N 1.26 0.77 -0.47 0.00 0.00 -0.47 -1.04 119.26 119.31 1kr6 h ALA 287 Ca 0.27 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1kr6 h ALA 287 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1kr6 h ALA 287 CO -0.06 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.68 1kr6 h ALA 288 N 1.02 0.63 -0.50 0.00 0.00 -0.42 -0.89 119.26 119.10 1kr6 h ALA 288 Ca 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1kr6 h ALA 288 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1kr6 h ALA 288 CO 0.01 0.45 0.15 0.28 0.00 0.00 0.00 179.25 180.14 1kr6 h VAL 289 N 0.69 1.23 -0.68 0.00 2.07 -1.00 -1.19 116.25 117.36 1kr6 h VAL 289 Ca 0.13 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 1kr6 h VAL 289 Cb 0.53 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1kr6 h VAL 289 CO 0.03 0.29 0.15 -0.61 0.02 0.00 0.00 177.57 177.45 1kr6 h GLN 290 N 0.68 1.09 -0.35 1.57 5.75 -1.06 -0.62 115.11 122.16 1kr6 h GLN 290 Ca 0.16 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1kr6 h GLN 290 Cb 0.28 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1kr6 h GLN 290 CO -0.00 0.97 0.12 0.77 -2.65 0.00 0.00 178.83 178.04 1kr6 h SER 291 N 1.03 0.51 -0.32 -0.69 0.02 -0.92 0.12 113.55 113.29 1kr6 h SER 291 Ca 0.21 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1kr6 h SER 291 Cb 0.38 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1kr6 h SER 291 CO 0.00 0.56 0.01 0.00 -1.14 0.00 0.00 176.83 176.26 1kr6 h ALA 292 N 0.97 1.24 -0.39 3.77 0.00 -1.05 -1.85 119.26 121.96 1kr6 h ALA 292 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1kr6 h ALA 292 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1kr6 h ALA 292 CO -0.01 0.51 0.07 1.15 0.00 0.00 0.00 179.25 180.98 1kr6 h THR 293 N 0.63 1.24 -0.73 0.00 2.02 -0.66 0.19 112.91 115.59 1kr6 h THR 293 Ca 0.13 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.50 1kr6 h THR 293 Cb 0.38 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1kr6 h THR 293 CO 0.01 0.28 0.48 0.44 0.37 0.00 0.00 175.52 177.10 1kr6 h ASP 294 N 0.49 0.81 0.38 4.18 3.32 -0.59 -0.58 116.42 124.43 1kr6 h ASP 294 Ca 0.12 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.84 1kr6 h ASP 294 Cb 0.34 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.72 1kr6 h ASP 294 CO 0.01 0.58 -1.46 -0.07 -1.72 0.00 0.00 179.24 176.57 1kr6 h LEU 295 N 0.96 0.65 -0.39 1.55 3.38 -1.18 -3.41 115.31 116.86 1kr6 h LEU 295 Ca 0.28 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1kr6 h LEU 295 Cb -0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1kr6 h LEU 295 CO -0.08 1.59 0.00 -1.22 0.09 0.00 0.00 178.44 178.83 1kr6 n TYR 296 N -3.62 0.00 0.00 1.13 4.01 0.65 -5.10 117.16 114.23 1kr6 n TYR 296 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1kr6 n TYR 296 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 1kr6 n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kr6 n GLY 297 N 0.49 2.23 0.28 2.72 0.00 -0.23 -4.45 105.19 106.24 1kr6 n GLY 297 Ca 0.00 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1kr6 n GLY 297 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kr6 h SER 298 N 0.00 0.00 -0.41 1.61 4.64 -1.89 -2.65 113.55 114.85 1kr6 h SER 298 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kr6 h SER 298 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1kr6 h SER 298 CO 0.00 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 176.38 1kr6 n THR 299 N -3.70 2.53 -2.01 2.95 -2.24 -1.26 -4.87 114.28 105.67 1kr6 n THR 299 Ca -0.02 -1.68 -0.30 0.00 -2.27 0.00 0.00 64.05 59.78 1kr6 n THR 299 Cb 0.17 -0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 1kr6 n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1kr6 s SER 300 N -1.41 5.93 0.33 3.42 1.04 -1.00 -4.97 113.70 117.04 1kr6 s SER 300 Ca 0.48 1.21 0.08 0.00 0.48 0.00 0.00 55.95 58.20 1kr6 s SER 300 Cb 0.38 -2.20 0.58 0.00 0.10 0.00 0.00 66.02 64.87 1kr6 s SER 300 CO 0.12 -1.00 1.77 -0.61 0.98 0.00 0.00 173.24 174.50 1kr6 h GLN 301 N -0.35 0.21 -0.12 4.02 5.75 -1.91 -2.69 115.11 120.01 1kr6 h GLN 301 Ca -0.45 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 1kr6 h GLN 301 Cb 1.22 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1kr6 h GLN 301 CO 0.62 0.52 0.08 0.93 -2.65 0.00 0.00 178.83 178.33 1kr6 h GLU 302 N 0.18 0.15 -0.77 1.69 3.07 -1.93 -0.34 114.58 116.64 1kr6 h GLU 302 Ca 0.02 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1kr6 h GLU 302 Cb 0.68 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 1kr6 h GLU 302 CO 0.05 0.11 0.28 0.28 -1.40 0.00 0.00 179.01 178.34 1kr6 h VAL 303 N 0.15 1.26 -0.60 3.13 2.07 -1.80 -2.22 116.25 118.24 1kr6 h VAL 303 Ca 0.04 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1kr6 h VAL 303 Cb -0.01 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1kr6 h VAL 303 CO -0.01 0.34 0.38 0.00 0.02 0.00 0.00 177.57 178.30 1kr6 h ALA 304 N 1.15 0.76 -0.32 1.67 0.00 -1.14 -2.25 119.26 119.13 1kr6 h ALA 304 Ca 0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1kr6 h ALA 304 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1kr6 h ALA 304 CO -0.02 0.21 -0.15 0.77 0.00 0.00 0.00 179.25 180.07 1kr6 h SER 305 N 0.81 0.55 -0.41 0.00 0.02 -0.80 -1.40 113.55 112.31 1kr6 h SER 305 Ca 0.22 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1kr6 h SER 305 Cb -0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1kr6 h SER 305 CO -0.04 0.72 0.06 0.58 -1.14 0.00 0.00 176.83 177.00 1kr6 h VAL 306 N 0.51 1.25 -0.49 2.27 2.07 -1.10 -1.00 116.25 119.76 1kr6 h VAL 306 Ca 0.09 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1kr6 h VAL 306 Cb 0.55 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1kr6 h VAL 306 CO 0.04 0.31 0.19 0.11 0.02 0.00 0.00 177.57 178.23 1kr6 h LYS 307 N 0.53 0.73 -0.74 1.57 1.57 -1.16 -2.50 116.57 116.57 1kr6 h LYS 307 Ca 0.12 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1kr6 h LYS 307 Cb 0.39 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1kr6 h LYS 307 CO 0.01 0.66 0.33 1.96 -0.57 0.00 0.00 179.45 181.84 1kr6 h GLN 308 N 0.65 1.08 -0.25 3.15 1.08 -1.13 -1.14 115.11 118.55 1kr6 h GLN 308 Ca 0.16 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1kr6 h GLN 308 Cb 0.20 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1kr6 h GLN 308 CO -0.01 0.86 0.14 0.00 -0.95 0.00 0.00 178.83 178.86 1kr6 h ALA 309 N 1.17 0.32 -0.15 3.87 0.00 -1.02 0.01 119.26 123.46 1kr6 h ALA 309 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1kr6 h ALA 309 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1kr6 h ALA 309 CO -0.03 -0.16 -0.36 0.74 0.00 0.00 0.00 179.25 179.45 1kr6 h PHE 310 N 0.29 0.36 -0.70 0.00 0.04 -1.32 -2.54 116.94 113.08 1kr6 h PHE 310 Ca 0.09 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1kr6 h PHE 310 Cb 0.06 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1kr6 h PHE 310 CO -0.04 0.64 0.19 -0.44 -0.60 0.00 0.00 178.31 178.06 1kr6 h ASP 311 N 0.27 1.05 -0.75 2.17 3.32 -0.83 -0.38 116.42 121.27 1kr6 h ASP 311 Ca 0.03 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.87 1kr6 h ASP 311 Cb 0.76 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1kr6 h ASP 311 CO 0.06 1.00 0.49 0.00 -1.72 0.00 0.00 179.24 179.07 1kr6 h ALA 312 N 1.09 1.50 -0.49 3.45 0.00 -0.59 -1.84 119.26 122.39 1kr6 h ALA 312 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kr6 h ALA 312 Cb 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1kr6 h ALA 312 CO -0.00 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.02 1kr6 n VAL 313 N -4.43 0.65 -1.41 0.00 0.24 -1.04 -4.72 118.33 107.61 1kr6 n VAL 313 Ca 0.09 -0.68 -0.05 0.00 -2.04 0.00 0.00 64.34 61.65 1kr6 n VAL 313 Cb 0.07 0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 1kr6 n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kr6 n GLY 314 N 1.34 0.60 3.43 7.63 0.00 -0.69 0.06 105.19 117.56 1kr6 n GLY 314 Ca 0.18 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1kr6 n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kr6 s VAL 315 N -2.21 4.97 -2.98 1.61 1.01 -0.20 -4.64 120.40 117.97 1kr6 s VAL 315 Ca 0.00 -0.69 0.24 0.00 0.00 0.00 0.00 61.98 61.53 1kr6 s VAL 315 Cb 0.00 -3.74 0.21 0.00 0.00 0.00 0.00 36.38 32.84 1kr6 s VAL 315 CO 0.00 -0.24 1.28 1.17 0.00 0.00 0.00 175.10 177.31