#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kyi s THR 2 N 0.00 -0.34 -0.15 12.58 2.01 -1.26 -1.44 115.64 127.04 1kyi s THR 2 Ca 0.00 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1kyi s THR 2 Cb 0.00 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.97 1kyi s THR 2 CO 0.00 -0.07 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.08 1kyi s ILE 3 N 2.35 1.65 0.06 1.82 -1.09 -0.41 -2.86 121.20 122.72 1kyi s ILE 3 Ca 0.05 -0.69 0.05 0.00 -2.23 0.00 0.00 60.65 57.83 1kyi s ILE 3 Cb -0.14 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 39.18 1kyi s ILE 3 CO -0.10 0.47 -0.14 0.54 -1.23 0.00 0.00 174.94 174.48 1kyi s VAL 4 N 1.39 1.10 -0.06 2.92 0.11 -0.09 -0.45 120.40 125.33 1kyi s VAL 4 Ca 0.03 -1.24 -0.02 0.00 -2.93 0.00 0.00 61.98 57.83 1kyi s VAL 4 Cb -0.13 -1.05 0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1kyi s VAL 4 CO -0.10 -0.18 0.03 -0.55 -3.33 0.00 0.00 175.10 170.97 1kyi s SER 5 N -1.61 1.38 0.12 3.54 0.15 0.32 -0.43 113.70 117.17 1kyi s SER 5 Ca -0.01 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.70 1kyi s SER 5 Cb -0.10 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1kyi s SER 5 CO 0.02 -0.22 -0.11 -0.69 1.20 0.00 0.00 173.24 173.43 1kyi s VAL 6 N 2.07 3.24 -0.21 4.45 1.01 -1.09 -1.19 120.40 128.68 1kyi s VAL 6 Ca 0.05 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 1kyi s VAL 6 Cb -0.12 -2.52 0.07 0.00 0.00 0.00 0.00 36.38 33.80 1kyi s VAL 6 CO -0.04 0.07 0.05 -0.60 0.00 0.00 0.00 175.10 174.59 1kyi s ARG 7 N -2.30 0.57 -0.09 2.72 3.52 -1.22 -1.72 118.95 120.44 1kyi s ARG 7 Ca 0.21 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1kyi s ARG 7 Cb -0.11 -2.01 0.04 0.00 -1.56 0.00 0.00 34.95 31.32 1kyi s ARG 7 CO 0.13 -0.71 0.20 1.03 -0.81 0.00 0.00 175.30 175.14 1kyi s ARG 8 N 1.87 0.15 -0.98 5.12 1.81 -0.79 -4.92 118.95 121.22 1kyi s ARG 8 Ca 0.01 0.46 -0.05 0.00 -1.72 0.00 0.00 55.73 54.43 1kyi s ARG 8 Cb -0.17 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.13 1kyi s ARG 8 CO -0.12 -0.17 0.85 0.09 -0.68 0.00 0.00 175.30 175.27 1kyi n ASN 9 N 4.23 -5.64 -1.92 0.23 3.02 -1.26 -2.73 115.26 111.20 1kyi n ASN 9 Ca -0.26 -0.64 -0.18 0.00 -0.03 0.00 0.00 54.58 53.47 1kyi n ASN 9 Cb 0.52 -4.79 -0.05 0.00 -0.61 0.00 0.00 39.78 34.85 1kyi n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kyi n GLY 10 N -1.23 0.76 3.37 7.41 0.00 -1.26 -4.95 105.19 109.28 1kyi n GLY 10 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1kyi n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kyi s GLN 11 N -4.20 2.61 -0.20 1.61 -1.52 -1.11 -4.53 119.66 112.32 1kyi s GLN 11 Ca 0.00 -0.80 -0.01 0.00 -1.95 0.00 0.00 55.36 52.61 1kyi s GLN 11 Cb 0.00 -2.30 0.06 0.00 -0.22 0.00 0.00 33.01 30.54 1kyi s GLN 11 CO 0.00 0.47 -0.02 0.08 -0.25 0.00 0.00 175.29 175.57 1kyi s VAL 12 N -0.35 1.03 0.09 1.09 1.01 -0.98 -1.89 120.40 120.40 1kyi s VAL 12 Ca 0.03 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1kyi s VAL 12 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1kyi s VAL 12 CO 0.02 -0.10 -0.13 -0.69 0.00 0.00 0.00 175.10 174.20 1kyi s VAL 13 N 1.63 3.18 -0.16 2.92 1.01 -0.70 -0.97 120.40 127.31 1kyi s VAL 13 Ca -0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 1kyi s VAL 13 Cb -0.17 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.82 1kyi s VAL 13 CO -0.07 0.17 0.15 -0.69 0.00 0.00 0.00 175.10 174.66 1kyi s VAL 14 N -1.14 -0.21 0.36 2.92 1.01 0.06 -2.65 120.40 120.75 1kyi s VAL 14 Ca 0.19 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1kyi s VAL 14 Cb -0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 1kyi s VAL 14 CO 0.11 -0.16 -0.04 -0.83 0.00 0.00 0.00 175.10 174.18 1kyi s GLY 15 N 2.24 2.25 -0.16 4.51 0.00 0.43 -2.22 107.32 114.37 1kyi s GLY 15 Ca 0.04 -2.12 -0.30 0.00 0.00 0.00 0.00 44.72 42.34 1kyi s GLY 15 CO -0.09 -2.02 1.00 -0.32 0.00 0.00 0.00 173.10 171.66 1kyi s GLY 16 N -3.67 -0.27 0.00 0.20 0.00 -1.21 -0.91 107.32 101.46 1kyi s GLY 16 Ca 0.34 1.99 0.00 0.00 0.00 0.00 0.00 44.72 47.05 1kyi s GLY 16 CO 0.18 1.00 0.00 2.09 0.00 0.00 0.00 173.10 176.37 1kyi n ASP 17 N 0.68 -0.17 -2.70 1.64 5.75 -1.14 -1.69 116.55 118.92 1kyi n ASP 17 Ca -0.10 -0.29 -0.07 0.00 -0.01 0.00 0.00 54.79 54.32 1kyi n ASP 17 Cb 0.58 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.72 1kyi n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kyi n GLY 18 N 3.88 1.57 3.25 6.12 0.00 -0.31 -4.17 105.19 115.54 1kyi n GLY 18 Ca 0.00 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1kyi n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kyi s GLN 19 N -2.86 2.83 -0.39 1.61 0.74 -1.26 -1.37 119.66 118.95 1kyi s GLN 19 Ca 0.26 -1.01 -0.18 0.00 0.05 0.00 0.00 55.36 54.48 1kyi s GLN 19 Cb 0.42 -3.21 0.01 0.00 1.10 0.00 0.00 33.01 31.34 1kyi s GLN 19 CO 0.00 -0.48 0.51 0.08 -0.55 0.00 0.00 175.29 174.85 1kyi s VAL 20 N 1.38 5.00 -0.14 1.34 1.01 0.23 -4.74 120.40 124.48 1kyi s VAL 20 Ca -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1kyi s VAL 20 Cb -0.18 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1kyi s VAL 20 CO -0.01 -0.37 0.15 -0.44 0.00 0.00 0.00 175.10 174.43 1kyi s SER 21 N 1.83 6.36 -0.23 3.32 0.01 -1.26 -1.45 113.70 122.28 1kyi s SER 21 Ca 0.17 0.42 -0.00 0.00 1.31 0.00 0.00 55.95 57.85 1kyi s SER 21 Cb -0.16 -2.08 0.06 0.00 0.21 0.00 0.00 66.02 64.05 1kyi s SER 21 CO 0.15 0.34 -0.03 -0.22 0.41 0.00 0.00 173.24 173.89 1kyi s LEU 22 N -0.63 2.28 0.00 2.44 2.96 -0.40 -4.93 118.68 120.40 1kyi s LEU 22 Ca 0.13 -1.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 1kyi s LEU 22 Cb -0.12 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.52 1kyi s LEU 22 CO 0.03 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 1kyi n GLY 23 N 4.75 2.61 1.13 7.98 0.00 -1.26 -1.29 105.19 119.12 1kyi n GLY 23 Ca -0.11 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.69 1kyi n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kyi n ASN 24 N 5.03 4.33 -4.68 1.61 3.02 -1.26 -4.96 115.26 118.34 1kyi n ASN 24 Ca 0.00 -2.99 -0.24 0.00 -0.03 0.00 0.00 54.58 51.32 1kyi n ASN 24 Cb 0.00 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.52 1kyi n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kyi s THR 25 N -2.80 3.73 -0.29 3.41 -4.23 -0.41 -5.11 115.64 109.94 1kyi s THR 25 Ca 0.45 -1.64 -0.08 0.00 -1.18 0.00 0.00 61.69 59.23 1kyi s THR 25 Cb 0.36 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1kyi s THR 25 CO 0.11 -0.28 0.12 -0.69 -0.54 0.00 0.00 174.62 173.34 1kyi s VAL 26 N -2.08 4.39 -0.16 2.29 1.01 -1.26 -1.27 120.40 123.32 1kyi s VAL 26 Ca 0.30 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 1kyi s VAL 26 Cb -0.08 -3.21 -0.23 0.00 0.00 0.00 0.00 36.38 32.86 1kyi s VAL 26 CO 0.20 0.12 0.48 -0.03 0.00 0.00 0.00 175.10 175.88 1kyi h MET 27 N 8.30 0.07 -4.07 2.72 -1.53 -1.59 -3.47 114.93 115.35 1kyi h MET 27 Ca -0.33 -0.11 -0.37 0.00 -3.44 0.00 0.00 59.70 55.44 1kyi h MET 27 Cb 1.15 0.04 -0.32 0.00 -0.55 0.00 0.00 31.60 31.92 1kyi h MET 27 CO 0.60 1.05 -0.76 0.21 0.14 0.00 0.00 176.91 178.16 1kyi s LYS 28 N -2.35 0.61 -0.07 0.39 2.20 -1.18 -5.01 119.74 114.33 1kyi s LYS 28 Ca -0.23 -0.10 0.11 0.00 -0.36 0.00 0.00 55.97 55.39 1kyi s LYS 28 Cb 0.03 -0.65 0.27 0.00 -1.51 0.00 0.00 37.83 35.97 1kyi s LYS 28 CO 0.67 -0.03 1.20 0.41 -0.36 0.00 0.00 175.35 177.24 1kyi n GLY 29 N 3.72 3.64 0.00 5.54 0.00 -1.25 0.74 105.19 117.59 1kyi n GLY 29 Ca -0.22 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.20 1kyi n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kyi n ASN 30 N -0.48 4.26 -0.41 1.61 0.23 -0.47 -4.48 115.26 115.53 1kyi n ASN 30 Ca 0.12 -0.02 -0.05 0.00 -0.53 0.00 0.00 54.58 54.09 1kyi n ASN 30 Cb 0.54 1.11 -0.01 0.00 -2.08 0.00 0.00 39.78 39.34 1kyi n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kyi n ALA 31 N -1.56 -0.79 -2.59 -2.53 0.00 -1.15 -4.75 120.51 107.14 1kyi n ALA 31 Ca -0.00 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1kyi n ALA 31 Cb 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 1kyi n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1kyi s ARG 32 N -0.00 3.77 0.02 0.00 0.52 -1.26 -4.20 118.95 117.80 1kyi s ARG 32 Ca 0.08 0.42 0.22 0.00 -0.52 0.00 0.00 55.73 55.93 1kyi s ARG 32 Cb -0.11 -3.82 -0.03 0.00 0.52 0.00 0.00 34.95 31.51 1kyi s ARG 32 CO 0.05 -0.92 0.97 1.63 0.02 0.00 0.00 175.30 177.05 1kyi n LYS 33 N 6.63 0.21 -4.01 3.54 5.02 -1.26 -4.81 118.16 123.48 1kyi n LYS 33 Ca 0.05 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 1kyi n LYS 33 Cb 0.48 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 1kyi n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kyi s VAL 34 N -3.15 2.63 0.36 -0.18 1.01 -1.26 -2.12 120.40 117.70 1kyi s VAL 34 Ca 0.04 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1kyi s VAL 34 Cb 0.15 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 1kyi s VAL 34 CO 0.82 0.30 0.06 -0.13 0.00 0.00 0.00 175.10 176.15 1kyi s ARG 35 N 1.31 2.11 -0.09 2.72 1.81 0.48 -4.93 118.95 122.36 1kyi s ARG 35 Ca 0.01 -1.80 -0.04 0.00 -1.72 0.00 0.00 55.73 52.19 1kyi s ARG 35 Cb -0.16 -1.92 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 1kyi s ARG 35 CO -0.07 0.06 0.05 1.03 -0.68 0.00 0.00 175.30 175.69 1kyi s ARG 36 N -3.76 3.14 0.14 3.54 0.52 -1.26 -1.54 118.95 119.73 1kyi s ARG 36 Ca 0.36 -0.32 0.07 0.00 -0.52 0.00 0.00 55.73 55.33 1kyi s ARG 36 Cb 0.02 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 1kyi s ARG 36 CO 0.20 0.73 -0.15 -0.51 0.02 0.00 0.00 175.30 175.58 1kyi s LEU 37 N -0.96 2.43 -1.08 2.53 1.43 0.16 -4.78 118.68 118.40 1kyi s LEU 37 Ca 0.14 -0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 52.31 1kyi s LEU 37 Cb -0.12 -0.65 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1kyi s LEU 37 CO 0.03 -0.12 0.90 0.00 0.23 0.00 0.00 176.35 177.40 1kyi n TYR 38 N 0.35 -2.36 -1.28 0.29 4.19 -1.26 -1.12 117.16 115.96 1kyi n TYR 38 Ca -0.14 0.80 -0.10 0.00 3.31 0.00 0.00 57.90 61.77 1kyi n TYR 38 Cb 0.57 -4.08 -0.04 0.00 0.49 0.00 0.00 39.34 36.28 1kyi n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1kyi n ASN 39 N -3.13 -5.48 0.00 2.98 3.02 -1.26 -1.72 115.26 109.66 1kyi n ASN 39 Ca -0.09 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1kyi n ASN 39 Cb 0.62 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 1kyi n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kyi n GLY 40 N -0.05 1.06 0.09 7.41 0.00 -1.07 -5.00 105.19 107.64 1kyi n GLY 40 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 1kyi n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kyi h LYS 41 N 2.88 0.00 -5.18 1.61 6.56 -0.39 -3.47 116.57 118.59 1kyi h LYS 41 Ca 0.00 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.18 1kyi h LYS 41 Cb 0.00 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 31.42 1kyi h LYS 41 CO 0.00 0.70 -0.78 0.14 -2.06 0.00 0.00 179.45 177.45 1kyi s VAL 42 N -2.79 1.01 -0.13 0.50 -7.23 -0.28 -4.40 120.40 107.08 1kyi s VAL 42 Ca 0.01 -1.02 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 1kyi s VAL 42 Cb 0.09 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1kyi s VAL 42 CO 0.80 -0.08 0.11 -0.76 -0.31 0.00 0.00 175.10 174.86 1kyi s LEU 43 N -1.24 4.17 -0.03 1.32 1.43 0.93 0.35 118.68 125.60 1kyi s LEU 43 Ca -0.00 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1kyi s LEU 43 Cb -0.08 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1kyi s LEU 43 CO 0.01 0.36 0.04 0.00 0.23 0.00 0.00 176.35 176.99 1kyi s ALA 44 N -0.72 0.13 -0.07 4.21 0.00 -0.59 -0.83 121.76 123.90 1kyi s ALA 44 Ca 0.13 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1kyi s ALA 44 Cb -0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1kyi s ALA 44 CO 0.03 -0.24 -0.23 0.20 0.00 0.00 0.00 175.76 175.52 1kyi s GLY 45 N 1.44 1.22 0.31 0.00 0.00 0.07 -0.39 107.32 109.98 1kyi s GLY 45 Ca -0.04 -0.94 0.10 0.00 0.00 0.00 0.00 44.72 43.84 1kyi s GLY 45 CO -0.03 -0.48 -0.13 -0.11 0.00 0.00 0.00 173.10 172.34 1kyi s PHE 46 N 0.04 2.30 -0.18 1.90 -0.71 -0.90 -0.79 117.98 119.63 1kyi s PHE 46 Ca -0.08 -0.46 -0.24 0.00 -1.04 0.00 0.00 56.93 55.11 1kyi s PHE 46 Cb -0.15 -1.20 0.06 0.00 -1.21 0.00 0.00 43.02 40.53 1kyi s PHE 46 CO 0.05 0.60 0.63 0.00 -1.34 0.00 0.00 175.22 175.15 1kyi s ALA 47 N -2.62 -1.57 0.00 1.99 0.00 -0.93 -4.93 121.76 113.70 1kyi s ALA 47 Ca 0.31 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1kyi s ALA 47 Cb -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1kyi s ALA 47 CO 0.15 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1kyi n GLY 48 N 2.25 0.70 1.95 0.00 0.00 -1.26 -1.11 105.19 107.72 1kyi n GLY 48 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 1kyi n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kyi n GLY 49 N 0.00 -3.90 0.00 -0.02 0.00 -1.26 -4.12 105.19 95.89 1kyi n GLY 49 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1kyi n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kyi n THR 50 N 0.68 0.00 0.00 2.61 -2.24 -1.26 -2.74 114.28 111.34 1kyi n THR 50 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1kyi n THR 50 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1kyi n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kyi n ALA 51 N 0.00 0.00 -0.28 6.98 0.00 -1.26 0.58 120.51 126.53 1kyi n ALA 51 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1kyi n ALA 51 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1kyi n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1kyi h ASP 52 N 0.00 0.51 -0.90 0.00 5.19 -1.82 0.14 116.42 119.54 1kyi h ASP 52 Ca 0.00 0.08 0.17 0.00 -0.62 0.00 0.00 57.03 56.66 1kyi h ASP 52 Cb 0.00 -0.01 -0.07 0.00 0.18 0.00 0.00 39.33 39.43 1kyi h ASP 52 CO 0.00 0.25 0.58 0.00 -3.12 0.00 0.00 179.24 176.95 1kyi h ALA 53 N 1.51 1.97 0.01 3.45 0.00 0.33 -0.96 119.26 125.57 1kyi h ALA 53 Ca 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1kyi h ALA 53 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kyi h ALA 53 CO -0.32 -0.24 -0.00 0.74 0.00 0.00 0.00 179.25 179.42 1kyi h PHE 54 N 0.57 -0.01 -0.08 0.00 0.05 0.17 -3.12 116.94 114.53 1kyi h PHE 54 Ca 0.46 -0.00 0.02 0.00 3.82 0.00 0.00 57.97 62.28 1kyi h PHE 54 Cb 0.91 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.86 1kyi h PHE 54 CO -0.00 0.66 0.17 1.79 -0.18 0.00 0.00 178.31 180.74 1kyi h THR 55 N -0.99 0.22 -0.01 -1.55 1.35 -0.94 0.56 112.91 111.56 1kyi h THR 55 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 1kyi h THR 55 Cb 0.67 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1kyi h THR 55 CO 0.00 0.00 -0.87 0.25 -0.25 0.00 0.00 175.52 174.65 1kyi h LEU 56 N 0.00 0.38 0.27 3.87 5.85 -1.23 -2.45 115.31 122.00 1kyi h LEU 56 Ca 0.04 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1kyi h LEU 56 Cb 0.37 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1kyi h LEU 56 CO -0.00 1.08 -0.13 0.15 -0.34 0.00 0.00 178.44 179.20 1kyi h PHE 57 N 0.17 -0.34 -0.09 1.25 3.57 0.12 -2.84 116.94 118.78 1kyi h PHE 57 Ca -0.05 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1kyi h PHE 57 Cb 1.49 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.30 1kyi h PHE 57 CO 0.04 -0.05 -0.11 0.93 -2.23 0.00 0.00 178.31 176.89 1kyi h GLU 58 N -0.62 -0.14 -0.40 1.11 4.39 -1.15 -1.94 114.58 115.83 1kyi h GLU 58 Ca -0.04 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.79 1kyi h GLU 58 Cb 0.44 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1kyi h GLU 58 CO 0.06 -0.10 0.38 -0.07 -1.16 0.00 0.00 179.01 178.12 1kyi h LEU 59 N -0.15 0.00 0.00 1.33 4.07 -1.44 0.25 115.31 119.37 1kyi h LEU 59 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1kyi h LEU 59 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1kyi h LEU 59 CO -0.18 0.00 -0.46 0.15 -1.08 0.00 0.00 178.44 176.87 1kyi h PHE 60 N 0.00 0.00 0.00 1.13 3.57 -1.11 -3.20 116.94 117.33 1kyi h PHE 60 Ca 0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1kyi h PHE 60 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1kyi h PHE 60 CO 0.00 0.00 -0.00 1.49 -2.23 0.00 0.00 178.31 177.57 1kyi h GLU 61 N 0.00 -0.00 0.00 1.11 4.81 -0.18 -2.50 114.58 117.81 1kyi h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kyi h GLU 61 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1kyi h GLU 61 CO 0.00 0.76 0.08 0.54 -0.73 0.00 0.00 179.01 179.66 1kyi n ARG 62 N -4.65 0.00 -0.02 1.92 1.74 -0.45 0.30 116.66 115.49 1kyi n ARG 62 Ca -0.08 0.41 0.06 0.00 -0.77 0.00 0.00 57.85 57.47 1kyi n ARG 62 Cb 0.37 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 1kyi n ARG 62 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kyi n LYS 63 N -1.41 0.68 -0.03 5.56 4.01 -1.20 -4.29 118.16 121.48 1kyi n LYS 63 Ca 0.00 -0.14 -0.20 0.00 -0.51 0.00 0.00 58.31 57.46 1kyi n LYS 63 Cb 0.08 -1.46 -0.13 0.00 -0.51 0.00 0.00 35.03 33.00 1kyi n LYS 63 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1kyi h LEU 64 N 0.00 0.21 -3.79 -0.35 3.38 0.31 -3.16 115.31 111.91 1kyi h LEU 64 Ca -0.10 -0.81 -0.18 0.00 0.09 0.00 0.00 57.88 56.88 1kyi h LEU 64 Cb 1.13 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 1kyi h LEU 64 CO 0.01 1.43 -0.19 -0.62 0.09 0.00 0.00 178.44 179.15 1kyi n GLU 65 N -4.22 1.79 0.00 1.13 1.02 0.01 -1.45 120.64 118.91 1kyi n GLU 65 Ca -0.22 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.01 1kyi n GLU 65 Cb 0.75 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1kyi n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kyi n MET 66 N 2.03 0.00 -0.78 3.49 0.00 -1.25 -4.92 117.12 115.69 1kyi n MET 66 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 58.02 1kyi n MET 66 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.99 1kyi n MET 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1kyi n HIS 67 N 0.00 0.00 -2.36 3.17 -0.00 -0.53 -5.01 115.22 110.49 1kyi n HIS 67 Ca 0.00 -0.18 -0.21 0.00 -0.00 0.00 0.00 57.72 57.33 1kyi n HIS 67 Cb 0.29 0.10 -0.01 0.00 -0.00 0.00 0.00 29.99 30.37 1kyi n HIS 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1kyi n GLN 68 N 0.10 -1.69 -1.23 -0.41 6.02 -1.04 -2.28 117.38 116.85 1kyi n GLN 68 Ca -0.03 1.01 -0.08 0.00 -0.01 0.00 0.00 57.00 57.89 1kyi n GLN 68 Cb 0.74 -5.67 -0.03 0.00 1.02 0.00 0.00 30.24 26.30 1kyi n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kyi n GLY 69 N -0.98 0.97 3.56 1.08 0.00 -0.66 -4.93 105.19 104.23 1kyi n GLY 69 Ca -0.24 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1kyi n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kyi s HIS 70 N -2.24 2.31 0.05 1.61 3.76 -0.97 -4.88 115.29 114.94 1kyi s HIS 70 Ca 0.00 -0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 1kyi s HIS 70 Cb 0.00 -4.53 -0.02 0.00 1.11 0.00 0.00 32.58 29.14 1kyi s HIS 70 CO 0.00 -1.93 1.15 -0.11 -0.85 0.00 0.00 174.74 173.00 1kyi n LEU 71 N 10.17 -0.35 -0.17 0.89 7.94 -1.26 -0.16 117.00 134.05 1kyi n LEU 71 Ca 0.30 1.23 -0.01 0.00 -1.11 0.00 0.00 56.01 56.42 1kyi n LEU 71 Cb 0.50 -0.40 0.07 0.00 0.53 0.00 0.00 43.42 44.12 1kyi n LEU 71 CO 0.66 -0.80 0.83 0.25 -1.11 0.00 0.00 177.39 177.22 1kyi h LEU 72 N 0.00 -0.26 -0.34 -1.96 5.85 -1.98 0.23 115.31 116.85 1kyi h LEU 72 Ca 0.05 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1kyi h LEU 72 Cb 0.13 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1kyi h LEU 72 CO -0.31 -0.10 0.04 0.11 -0.34 0.00 0.00 178.44 177.85 1kyi h LYS 73 N 0.10 0.58 -0.92 1.25 6.56 -1.82 -1.44 116.57 120.88 1kyi h LYS 73 Ca 0.27 -0.16 0.04 0.00 -1.06 0.00 0.00 60.65 59.74 1kyi h LYS 73 Cb 0.42 -0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 31.96 1kyi h LYS 73 CO -0.46 0.67 0.60 0.77 -2.06 0.00 0.00 179.45 178.96 1kyi h SER 74 N 0.40 0.99 0.44 0.86 0.02 0.18 0.12 113.55 116.57 1kyi h SER 74 Ca 0.10 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1kyi h SER 74 Cb 0.38 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1kyi h SER 74 CO 0.01 0.67 -0.26 0.00 -1.14 0.00 0.00 176.83 176.11 1kyi h ALA 75 N 1.39 -0.67 -0.33 3.77 0.00 -0.24 -2.18 119.26 121.00 1kyi h ALA 75 Ca 0.37 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1kyi h ALA 75 Cb 0.03 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1kyi h ALA 75 CO -0.13 -0.89 -0.07 0.28 0.00 0.00 0.00 179.25 178.45 1kyi h VAL 76 N -0.67 1.22 -0.53 0.00 2.07 -0.92 -0.15 116.25 117.27 1kyi h VAL 76 Ca -0.05 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1kyi h VAL 76 Cb 0.54 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1kyi h VAL 76 CO 0.06 0.31 0.15 -0.33 0.02 0.00 0.00 177.57 177.78 1kyi h GLU 77 N 0.50 0.79 -0.10 1.57 5.08 -0.64 -0.27 114.58 121.50 1kyi h GLU 77 Ca 0.10 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1kyi h GLU 77 Cb 0.43 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1kyi h GLU 77 CO 0.02 0.70 -0.58 1.25 -1.00 0.00 0.00 179.01 179.40 1kyi h LEU 78 N 0.77 0.68 -0.41 1.33 5.85 -0.80 -3.19 115.31 119.54 1kyi h LEU 78 Ca 0.17 -0.65 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1kyi h LEU 78 Cb 0.25 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1kyi h LEU 78 CO -0.01 1.23 0.24 0.00 -0.34 0.00 0.00 178.44 179.56 1kyi h ALA 79 N 0.47 0.53 0.00 1.25 0.00 -0.83 -2.23 119.26 118.46 1kyi h ALA 79 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kyi h ALA 79 Cb 1.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1kyi h ALA 79 CO 0.12 0.03 0.04 1.57 0.00 0.00 0.00 179.25 181.01 1kyi h LYS 80 N 0.54 0.00 0.00 0.00 5.09 -1.09 -0.75 116.57 120.37 1kyi h LYS 80 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.89 1kyi h LYS 80 Cb 0.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.35 1kyi h LYS 80 CO -0.03 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.08 1kyi n ASP 81 N -3.03 0.00 -0.01 7.07 10.43 -0.84 -3.04 116.55 127.13 1kyi n ASP 81 Ca -0.03 -1.09 -0.02 0.00 2.57 0.00 0.00 54.79 56.23 1kyi n ASP 81 Cb 0.11 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.05 1kyi n ASP 81 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1kyi n TRP 82 N -0.87 0.00 0.68 1.24 8.01 -0.30 -3.39 117.44 122.80 1kyi n TRP 82 Ca 0.15 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.32 1kyi n TRP 82 Cb 0.07 -0.13 0.04 0.00 -2.01 0.00 0.00 31.31 29.28 1kyi n TRP 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1kyi n ARG 83 N -2.28 1.33 -1.25 -0.99 1.74 -1.12 -4.62 116.66 109.45 1kyi n ARG 83 Ca -0.05 -0.47 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 1kyi n ARG 83 Cb 0.58 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1kyi n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1kyi n THR 84 N 0.20 0.00 0.03 0.55 -2.24 -1.24 -5.04 114.28 106.54 1kyi n THR 84 Ca 0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1kyi n THR 84 Cb 0.59 -0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.98 1kyi n THR 84 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1kyi h ASP 85 N 0.00 -0.10 -2.89 3.42 5.19 -1.95 -3.38 116.42 116.70 1kyi h ASP 85 Ca 0.00 -0.42 -0.70 0.00 -0.62 0.00 0.00 57.03 55.29 1kyi h ASP 85 Cb 0.00 0.03 -0.20 0.00 0.18 0.00 0.00 39.33 39.34 1kyi h ASP 85 CO 0.00 0.40 0.23 -0.60 -3.12 0.00 0.00 179.24 176.16 1kyi s ARG 86 N -4.00 3.15 1.12 3.56 3.52 -1.26 -5.04 118.95 120.00 1kyi s ARG 86 Ca -0.15 -1.41 -0.13 0.00 -0.13 0.00 0.00 55.73 53.91 1kyi s ARG 86 Cb 0.01 -4.35 0.23 0.00 -1.56 0.00 0.00 34.95 29.28 1kyi s ARG 86 CO 0.60 -1.58 0.82 0.00 -0.81 0.00 0.00 175.30 174.34 1kyi n ALA 87 N 6.31 -2.84 -2.87 6.12 0.00 -1.26 -4.90 120.51 121.05 1kyi n ALA 87 Ca -0.04 -1.09 -0.33 0.00 0.00 0.00 0.00 53.44 51.98 1kyi n ALA 87 Cb 0.44 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 1kyi n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kyi n LEU 88 N -4.11 5.60 0.00 0.00 0.00 -1.22 -5.01 117.00 112.26 1kyi n LEU 88 Ca 0.04 -5.53 0.00 0.00 0.00 0.00 0.00 56.01 50.52 1kyi n LEU 88 Cb 0.55 -0.83 0.00 0.00 0.00 0.00 0.00 43.42 43.14 1kyi n LEU 88 CO 0.55 2.18 0.00 -1.14 0.00 0.00 0.00 177.39 178.98 1kyi n ARG 89 N 0.00 0.00 -3.65 1.96 0.63 -1.26 -4.75 116.66 109.60 1kyi n ARG 89 Ca 0.36 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.26 1kyi n ARG 89 Cb 0.34 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.20 1kyi n ARG 89 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1kyi s LYS 90 N 0.00 0.59 -0.17 -0.14 0.00 -1.26 -5.02 119.74 113.74 1kyi s LYS 90 Ca 0.00 1.34 -0.08 0.00 0.00 0.00 0.00 55.97 57.23 1kyi s LYS 90 Cb 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 37.83 38.39 1kyi s LYS 90 CO 0.00 -0.19 0.11 -0.51 0.00 0.00 0.00 175.35 174.76 1kyi s LEU 91 N 2.48 4.14 -1.41 2.77 1.02 0.53 -5.01 118.68 123.19 1kyi s LEU 91 Ca -0.07 0.26 -0.10 0.00 0.02 0.00 0.00 54.13 54.24 1kyi s LEU 91 Cb -0.10 -2.04 0.07 0.00 0.02 0.00 0.00 46.19 44.14 1kyi s LEU 91 CO -0.19 0.25 2.32 -0.62 0.02 0.00 0.00 176.35 178.14 1kyi n GLU 92 N 3.03 3.68 -3.65 1.70 -0.58 -1.26 -4.15 120.64 119.41 1kyi n GLU 92 Ca -0.17 -2.99 -0.00 0.00 -0.42 0.00 0.00 57.16 53.57 1kyi n GLU 92 Cb 0.53 -2.92 -0.01 0.00 -0.57 0.00 0.00 31.44 28.47 1kyi n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kyi s ALA 93 N 1.11 -2.06 0.05 0.62 0.00 -1.26 -4.41 121.76 115.81 1kyi s ALA 93 Ca 0.51 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 1kyi s ALA 93 Cb 0.15 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1kyi s ALA 93 CO -0.06 -1.00 0.25 0.00 0.00 0.00 0.00 175.76 174.95 1kyi s MET 94 N -2.66 0.76 0.11 0.00 0.23 -0.27 -1.91 119.30 115.56 1kyi s MET 94 Ca 0.13 -0.60 0.09 0.00 -1.03 0.00 0.00 55.69 54.28 1kyi s MET 94 Cb 0.03 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1kyi s MET 94 CO -0.03 -0.24 -0.23 -0.51 -2.03 0.00 0.00 175.02 171.99 1kyi s LEU 95 N -2.15 2.31 -0.23 0.18 1.02 0.65 -2.19 118.68 118.27 1kyi s LEU 95 Ca -0.04 -0.71 0.01 0.00 0.02 0.00 0.00 54.13 53.41 1kyi s LEU 95 Cb -0.00 -1.01 0.04 0.00 0.02 0.00 0.00 46.19 45.23 1kyi s LEU 95 CO -0.04 0.10 -0.13 -0.63 0.02 0.00 0.00 176.35 175.67 1kyi s ILE 96 N -1.12 2.33 -0.03 -0.59 1.01 0.03 -0.67 121.20 122.16 1kyi s ILE 96 Ca 0.09 -1.20 0.07 0.00 0.00 0.00 0.00 60.65 59.61 1kyi s ILE 96 Cb -0.10 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 1kyi s ILE 96 CO 0.05 0.25 -0.25 0.68 0.00 0.00 0.00 174.94 175.67 1kyi s VAL 97 N 1.24 2.14 -0.27 2.92 -7.23 0.29 -0.75 120.40 118.74 1kyi s VAL 97 Ca -0.01 -1.06 -0.25 0.00 -1.81 0.00 0.00 61.98 58.84 1kyi s VAL 97 Cb -0.16 -1.76 0.07 0.00 0.56 0.00 0.00 36.38 35.09 1kyi s VAL 97 CO -0.08 0.58 0.73 0.00 -0.31 0.00 0.00 175.10 176.02 1kyi s ALA 98 N -0.51 -1.79 0.15 1.32 0.00 -0.01 0.16 121.76 121.08 1kyi s ALA 98 Ca 0.07 2.02 0.01 0.00 0.00 0.00 0.00 51.96 54.05 1kyi s ALA 98 Cb -0.11 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 1kyi s ALA 98 CO 0.00 -0.34 0.02 -0.40 0.00 0.00 0.00 175.76 175.05 1kyi n ASP 99 N 2.65 1.82 -0.20 0.00 3.85 -0.48 -0.05 116.55 124.14 1kyi n ASP 99 Ca -0.14 -1.71 0.12 0.00 -0.71 0.00 0.00 54.79 52.35 1kyi n ASP 99 Cb 0.55 0.21 0.43 0.00 -1.35 0.00 0.00 41.12 40.96 1kyi n ASP 99 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1kyi h GLU 100 N 0.00 0.56 0.00 0.11 4.11 -1.94 -3.32 114.58 114.10 1kyi h GLU 100 Ca -0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1kyi h GLU 100 Cb 0.40 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1kyi h GLU 100 CO 0.20 0.37 0.00 0.36 0.07 0.00 0.00 179.01 180.01 1kyi n LYS 101 N -4.51 0.00 -4.51 1.06 2.85 -1.26 -5.02 118.16 106.77 1kyi n LYS 101 Ca 0.15 0.43 -0.29 0.00 -1.05 0.00 0.00 58.31 57.54 1kyi n LYS 101 Cb 0.45 -0.95 -0.08 0.00 -0.65 0.00 0.00 35.03 33.80 1kyi n LYS 101 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1kyi s GLU 102 N -0.94 2.15 -0.05 -1.58 0.41 -1.25 -5.16 118.70 112.28 1kyi s GLU 102 Ca 0.00 -2.19 -0.04 0.00 -0.41 0.00 0.00 54.97 52.34 1kyi s GLU 102 Cb 0.00 -1.71 0.02 0.00 -1.78 0.00 0.00 34.13 30.66 1kyi s GLU 102 CO 0.00 -0.27 0.12 -1.54 -0.49 0.00 0.00 175.26 173.08 1kyi s SER 103 N -3.89 -0.11 0.30 -0.19 1.04 -1.26 -1.38 113.70 108.21 1kyi s SER 103 Ca 0.23 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.93 1kyi s SER 103 Cb 0.04 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1kyi s SER 103 CO 0.12 -0.06 0.27 -0.76 0.98 0.00 0.00 173.24 173.79 1kyi s LEU 104 N 0.32 1.50 -0.08 2.42 1.43 0.43 -4.42 118.68 120.28 1kyi s LEU 104 Ca -0.02 -1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 51.42 1kyi s LEU 104 Cb -0.03 0.64 0.04 0.00 0.03 0.00 0.00 46.19 46.86 1kyi s LEU 104 CO -0.01 -1.04 0.05 -0.51 0.23 0.00 0.00 176.35 175.07 1kyi s ILE 105 N -3.57 0.06 -0.13 -0.59 2.07 -1.02 -0.55 121.20 117.46 1kyi s ILE 105 Ca 0.39 0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.84 1kyi s ILE 105 Cb 0.03 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.25 1kyi s ILE 105 CO 0.23 0.11 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.56 1kyi s ILE 106 N 2.10 2.62 0.01 2.00 1.01 0.15 -1.27 121.20 127.82 1kyi s ILE 106 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1kyi s ILE 106 Cb -0.13 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1kyi s ILE 106 CO -0.05 0.53 0.07 0.42 0.00 0.00 0.00 174.94 175.92 1kyi s THR 107 N 0.45 4.63 -0.37 2.92 -4.23 -0.87 -0.25 115.64 117.93 1kyi s THR 107 Ca -0.12 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1kyi s THR 107 Cb -0.16 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1kyi s THR 107 CO 0.05 0.33 0.57 0.61 -0.54 0.00 0.00 174.62 175.64 1kyi n GLY 108 N 1.12 1.26 0.00 3.99 0.00 -0.80 -1.47 105.19 109.29 1kyi n GLY 108 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1kyi n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kyi n ILE 109 N 0.47 0.00 0.00 -0.61 5.41 -1.26 -0.35 119.36 123.02 1kyi n ILE 109 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.49 1kyi n ILE 109 Cb 0.28 0.71 0.00 0.00 -0.71 0.00 0.00 39.64 39.93 1kyi n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kyi n GLY 110 N 1.61 0.78 3.14 7.39 0.00 -0.54 -4.81 105.19 112.75 1kyi n GLY 110 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1kyi n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kyi s ASP 111 N -1.11 -0.11 -0.11 1.61 -4.77 -1.23 -4.78 116.67 106.16 1kyi s ASP 111 Ca 0.00 0.09 0.03 0.00 -3.30 0.00 0.00 52.55 49.38 1kyi s ASP 111 Cb 0.00 0.32 -0.00 0.00 -1.09 0.00 0.00 42.92 42.15 1kyi s ASP 111 CO 0.00 -0.28 -0.23 -0.69 0.70 0.00 0.00 175.17 174.67 1kyi s VAL 112 N -0.84 2.15 -0.07 2.11 1.01 -1.26 -2.05 120.40 121.45 1kyi s VAL 112 Ca -0.09 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1kyi s VAL 112 Cb -0.05 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1kyi s VAL 112 CO 0.02 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.77 1kyi s VAL 113 N 0.41 1.78 0.10 2.92 1.01 -0.39 -5.00 120.40 121.22 1kyi s VAL 113 Ca -0.17 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 1kyi s VAL 113 Cb -0.17 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 1kyi s VAL 113 CO 0.07 0.50 0.43 -1.10 0.00 0.00 0.00 175.10 175.00 1kyi s GLN 114 N 0.15 3.80 1.28 2.72 -0.21 -1.26 -2.45 119.66 123.69 1kyi s GLN 114 Ca -0.10 0.23 -0.19 0.00 0.02 0.00 0.00 55.36 55.32 1kyi s GLN 114 Cb -0.15 -2.97 0.29 0.00 1.00 0.00 0.00 33.01 31.18 1kyi s GLN 114 CO 0.05 0.53 0.69 -2.30 -2.12 0.00 0.00 175.29 172.14 1kyi n PRO 115 N 0.82 -3.41 -3.01 2.91 -0.02 -1.26 -5.03 135.00 126.01 1kyi n PRO 115 Ca -0.07 -1.00 -0.20 0.00 -2.02 0.00 0.00 63.50 60.21 1kyi n PRO 115 Cb 0.52 -1.87 0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1kyi n PRO 115 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1kyi s GLU 116 N -4.37 2.88 0.22 -0.52 1.03 -1.26 -4.90 118.70 111.77 1kyi s GLU 116 Ca 0.60 -0.85 0.11 0.00 0.03 0.00 0.00 54.97 54.86 1kyi s GLU 116 Cb -0.15 -2.64 0.75 0.00 -0.80 0.00 0.00 34.13 31.29 1kyi s GLU 116 CO 0.56 -0.32 0.95 -0.85 -1.33 0.00 0.00 175.26 174.27 1kyi n GLU 117 N -2.00 -0.04 0.00 -4.83 0.00 -1.26 -0.02 120.64 112.49 1kyi n GLU 117 Ca 0.04 0.84 0.08 0.00 0.00 0.00 0.00 57.16 58.13 1kyi n GLU 117 Cb 0.59 -1.48 0.37 0.00 0.00 0.00 0.00 31.44 30.92 1kyi n GLU 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1kyi n ASP 118 N -4.44 0.00 -3.29 -1.84 5.68 -1.26 -4.91 116.55 106.49 1kyi n ASP 118 Ca 0.21 0.47 -0.17 0.00 -0.50 0.00 0.00 54.79 54.81 1kyi n ASP 118 Cb 0.72 -0.49 0.08 0.00 -1.14 0.00 0.00 41.12 40.29 1kyi n ASP 118 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kyi n GLN 119 N -1.49 -6.41 -5.01 0.11 1.13 0.97 -4.75 117.38 101.94 1kyi n GLN 119 Ca 0.04 0.79 -0.28 0.00 -1.94 0.00 0.00 57.00 55.61 1kyi n GLN 119 Cb 0.20 -5.65 -0.16 0.00 0.11 0.00 0.00 30.24 24.73 1kyi n GLN 119 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kyi s ILE 120 N -3.33 1.69 -0.01 5.09 1.01 -1.26 -3.39 121.20 121.00 1kyi s ILE 120 Ca 0.09 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1kyi s ILE 120 Cb -0.04 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1kyi s ILE 120 CO 0.68 0.48 -0.06 -0.76 0.00 0.00 0.00 174.94 175.28 1kyi s LEU 121 N -0.05 1.84 0.01 2.97 1.43 -0.33 -4.65 118.68 119.90 1kyi s LEU 121 Ca -0.04 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1kyi s LEU 121 Cb -0.12 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.75 1kyi s LEU 121 CO 0.03 0.04 0.11 0.00 0.23 0.00 0.00 176.35 176.76 1kyi s ALA 122 N 0.11 -0.23 0.18 4.21 0.00 -1.25 0.12 121.76 124.88 1kyi s ALA 122 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1kyi s ALA 122 Cb -0.05 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1kyi s ALA 122 CO -0.00 -0.22 0.36 0.96 0.00 0.00 0.00 175.76 176.86 1kyi s ILE 123 N -1.58 0.05 0.00 0.00 -4.36 0.41 -4.88 121.20 110.85 1kyi s ILE 123 Ca -0.14 -1.21 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 1kyi s ILE 123 Cb -0.07 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.87 1kyi s ILE 123 CO 0.00 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1kyi n GLY 124 N -0.25 0.95 0.24 6.27 0.00 -1.26 -1.29 105.19 109.84 1kyi n GLY 124 Ca -0.08 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 1kyi n GLY 124 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kyi h SER 125 N 0.00 -0.61 0.00 1.61 4.64 -1.82 0.51 113.55 117.88 1kyi h SER 125 Ca 0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1kyi h SER 125 Cb 0.00 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1kyi h SER 125 CO 0.00 -0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.36 1kyi n GLY 126 N -1.38 -0.83 0.00 -0.77 0.00 -0.52 -4.48 105.19 97.21 1kyi n GLY 126 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1kyi n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kyi n GLY 127 N 0.36 -3.26 0.34 -0.02 0.00 0.18 -2.49 105.19 100.30 1kyi n GLY 127 Ca 0.02 0.53 0.18 0.00 0.00 0.00 0.00 46.02 46.75 1kyi n GLY 127 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kyi h ASN 128 N 0.00 0.00 -0.16 1.61 2.35 -1.78 -1.29 115.58 116.30 1kyi h ASN 128 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1kyi h ASN 128 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1kyi h ASN 128 CO 0.00 0.00 -0.06 1.88 -1.65 0.00 0.00 177.43 177.60 1kyi h TYR 129 N 0.00 0.38 -0.53 1.19 0.99 -1.79 -0.70 116.97 116.50 1kyi h TYR 129 Ca 0.04 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.61 1kyi h TYR 129 Cb 0.36 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.99 1kyi h TYR 129 CO 0.00 0.63 0.07 0.00 -0.00 0.00 0.00 178.16 178.86 1kyi h ALA 130 N 0.69 0.71 0.00 3.88 0.00 -1.04 -2.07 119.26 121.44 1kyi h ALA 130 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1kyi h ALA 130 Cb 0.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1kyi h ALA 130 CO 0.02 0.46 -0.09 1.25 0.00 0.00 0.00 179.25 180.89 1kyi h LEU 131 N 0.77 0.00 0.15 0.00 5.85 -1.20 0.25 115.31 121.13 1kyi h LEU 131 Ca 0.16 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.59 1kyi h LEU 131 Cb 0.43 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.49 1kyi h LEU 131 CO 0.01 0.09 -1.21 0.28 -0.34 0.00 0.00 178.44 177.27 1kyi h SER 132 N 0.00 0.82 -0.16 1.25 0.02 -0.60 -2.34 113.55 112.54 1kyi h SER 132 Ca -0.00 -0.85 -0.18 0.00 -0.84 0.00 0.00 61.79 59.92 1kyi h SER 132 Cb 0.19 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1kyi h SER 132 CO 0.01 1.59 -0.56 0.00 -1.14 0.00 0.00 176.83 176.74 1kyi h ALA 133 N 0.24 0.55 0.93 3.77 0.00 -1.02 -2.15 119.26 121.58 1kyi h ALA 133 Ca -0.19 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 1kyi h ALA 133 Cb 1.91 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.63 1kyi h ALA 133 CO 0.23 0.69 -0.45 0.00 0.00 0.00 0.00 179.25 179.72 1kyi h ALA 134 N 0.79 -1.25 -0.98 0.00 0.00 -0.56 -0.32 119.26 116.95 1kyi h ALA 134 Ca 0.01 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1kyi h ALA 134 Cb 1.14 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1kyi h ALA 134 CO 0.12 -1.19 0.62 0.00 0.00 0.00 0.00 179.25 178.79 1kyi h ARG 135 N -1.26 0.88 -0.02 0.00 3.08 -1.49 0.18 114.38 115.75 1kyi h ARG 135 Ca -0.13 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.90 1kyi h ARG 135 Cb 0.96 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 1kyi h ARG 135 CO 0.21 0.58 -0.19 0.00 -1.07 0.00 0.00 179.97 179.50 1kyi h ALA 136 N 1.56 -0.23 0.60 0.04 0.00 -0.99 -2.03 119.26 118.21 1kyi h ALA 136 Ca 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1kyi h ALA 136 Cb 0.58 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1kyi h ALA 136 CO -0.26 -0.68 -0.29 -0.07 0.00 0.00 0.00 179.25 177.95 1kyi h LEU 137 N -0.30 -0.68 -0.87 0.00 4.07 0.20 -2.49 115.31 115.24 1kyi h LEU 137 Ca 0.06 -0.02 0.23 0.00 0.08 0.00 0.00 57.88 58.23 1kyi h LEU 137 Cb 0.39 0.18 -0.13 0.00 1.08 0.00 0.00 40.66 42.17 1kyi h LEU 137 CO -0.19 -0.30 0.27 0.58 -1.08 0.00 0.00 178.44 177.71 1kyi h VAL 138 N -1.13 0.37 0.00 1.22 2.07 -0.73 0.40 116.25 118.45 1kyi h VAL 138 Ca -0.08 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1kyi h VAL 138 Cb 0.66 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1kyi h VAL 138 CO 0.13 0.05 0.00 -0.33 0.02 0.00 0.00 177.57 177.44 1kyi h GLU 139 N 0.26 0.00 0.00 1.57 5.08 -1.41 -3.37 114.58 116.70 1kyi h GLU 139 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1kyi h GLU 139 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1kyi h GLU 139 CO -0.61 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.49 1kyi n ASN 140 N -2.49 0.93 -3.79 1.42 3.02 0.16 -5.09 115.26 109.42 1kyi n ASN 140 Ca 0.05 -1.37 -0.15 0.00 -0.03 0.00 0.00 54.58 53.07 1kyi n ASN 140 Cb 0.45 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.53 1kyi n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1kyi s THR 141 N -0.37 0.00 -0.73 3.41 -1.32 0.12 -5.00 115.64 111.74 1kyi s THR 141 Ca 0.00 -1.97 0.17 0.00 -1.21 0.00 0.00 61.69 58.68 1kyi s THR 141 Cb 0.00 -2.50 -0.20 0.00 -1.51 0.00 0.00 72.50 68.29 1kyi s THR 141 CO 0.00 0.00 0.70 -0.62 -2.21 0.00 0.00 174.62 172.49 1kyi n GLU 142 N -0.44 1.22 -1.09 7.08 -0.58 -1.26 -4.75 120.64 120.82 1kyi n GLU 142 Ca 0.04 -0.02 -0.36 0.00 -0.42 0.00 0.00 57.16 56.41 1kyi n GLU 142 Cb 0.64 -1.33 -0.01 0.00 -0.57 0.00 0.00 31.44 30.18 1kyi n GLU 142 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1kyi n LEU 143 N -1.48 -2.08 -4.79 -4.62 4.77 -1.26 -4.92 117.00 102.61 1kyi n LEU 143 Ca 0.03 0.73 -0.32 0.00 -0.03 0.00 0.00 56.01 56.41 1kyi n LEU 143 Cb 0.29 -0.74 0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1kyi n LEU 143 CO 0.35 -3.25 0.72 -0.94 -1.33 0.00 0.00 177.39 172.94 1kyi s SER 144 N -0.83 5.19 0.61 -1.43 1.04 -1.26 -4.79 113.70 112.23 1kyi s SER 144 Ca 0.50 1.80 0.32 0.00 0.48 0.00 0.00 55.95 59.04 1kyi s SER 144 Cb -0.58 -2.52 1.82 0.00 0.10 0.00 0.00 66.02 64.83 1kyi s SER 144 CO 0.51 -1.57 2.16 0.00 0.98 0.00 0.00 173.24 175.31 1kyi h ALA 145 N -0.39 1.57 0.06 5.32 0.00 -1.90 -0.60 119.26 123.31 1kyi h ALA 145 Ca -0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1kyi h ALA 145 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1kyi h ALA 145 CO 0.55 -0.19 -0.03 1.25 0.00 0.00 0.00 179.25 180.83 1kyi h HIS 146 N 0.00 -0.07 -0.52 0.00 -0.00 -1.91 -2.59 115.15 110.06 1kyi h HIS 146 Ca 0.05 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.52 1kyi h HIS 146 Cb 0.33 0.02 -0.09 0.00 -0.00 0.00 0.00 27.41 27.68 1kyi h HIS 146 CO 0.00 0.47 -0.04 0.93 -0.00 0.00 0.00 177.93 179.29 1kyi h GLU 147 N -0.94 0.08 0.01 5.26 5.08 -1.73 0.69 114.58 123.03 1kyi h GLU 147 Ca -0.01 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1kyi h GLU 147 Cb 0.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1kyi h GLU 147 CO 0.01 0.05 -0.12 0.82 -1.00 0.00 0.00 179.01 178.78 1kyi h ILE 148 N 0.08 0.71 -0.64 3.13 2.04 -1.24 0.25 117.51 121.85 1kyi h ILE 148 Ca 0.26 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.19 1kyi h ILE 148 Cb 0.40 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1kyi h ILE 148 CO -0.47 0.00 0.32 0.58 0.00 0.00 0.00 178.15 178.59 1kyi h VAL 149 N -0.20 0.91 0.44 1.67 2.07 -0.94 0.40 116.25 120.60 1kyi h VAL 149 Ca 0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1kyi h VAL 149 Cb 0.25 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1kyi h VAL 149 CO -0.11 0.11 -0.34 -0.08 0.02 0.00 0.00 177.57 177.17 1kyi h GLU 150 N 0.59 -0.74 0.16 1.57 4.22 -0.32 -1.04 114.58 119.02 1kyi h GLU 150 Ca 0.30 0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.79 1kyi h GLU 150 Cb 0.24 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1kyi h GLU 150 CO -0.21 -0.49 -0.18 0.87 -2.18 0.00 0.00 179.01 176.82 1kyi h LYS 151 N -0.77 -0.36 -0.72 1.92 1.79 0.11 -2.83 116.57 115.72 1kyi h LYS 151 Ca -0.04 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1kyi h LYS 151 Cb 0.66 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.34 1kyi h LYS 151 CO 0.00 -0.24 0.47 0.77 -1.08 0.00 0.00 179.45 179.38 1kyi h SER 152 N -0.38 0.50 -0.34 0.86 0.02 -0.18 -2.29 113.55 111.75 1kyi h SER 152 Ca 0.01 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1kyi h SER 152 Cb 0.37 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1kyi h SER 152 CO -0.06 0.29 0.02 -0.07 -1.14 0.00 0.00 176.83 175.87 1kyi h LEU 153 N 0.55 0.57 -0.25 5.07 3.38 -0.94 -2.73 115.31 120.95 1kyi h LEU 153 Ca 0.34 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1kyi h LEU 153 Cb 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1kyi h LEU 153 CO -0.11 0.72 0.13 -0.09 0.09 0.00 0.00 178.44 179.17 1kyi h ARG 154 N 0.39 0.36 -0.93 1.13 2.43 -1.31 -1.25 114.38 115.21 1kyi h ARG 154 Ca 0.10 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.42 1kyi h ARG 154 Cb 0.42 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 1kyi h ARG 154 CO 0.01 0.35 0.60 0.82 -1.51 0.00 0.00 179.97 180.25 1kyi h ILE 155 N 0.28 0.69 0.00 1.20 5.03 -1.40 0.81 117.51 124.12 1kyi h ILE 155 Ca 0.09 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 1kyi h ILE 155 Cb 0.10 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.03 1kyi h ILE 155 CO -0.01 0.09 -0.24 0.00 -0.68 0.00 0.00 178.15 177.31 1kyi h ALA 156 N 1.61 0.87 0.00 1.87 0.00 -1.06 -3.25 119.26 119.31 1kyi h ALA 156 Ca 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 1kyi h ALA 156 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1kyi h ALA 156 CO -0.23 0.00 -0.38 0.78 0.00 0.00 0.00 179.25 179.42 1kyi h GLY 157 N 4.15 0.00 -0.15 0.00 0.00 0.30 -2.11 103.07 105.26 1kyi h GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kyi h GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1kyi n ASP 158 N -3.20 1.13 0.00 0.19 10.43 -0.93 -4.08 116.55 120.10 1kyi n ASP 158 Ca 0.02 -1.42 0.00 0.00 2.57 0.00 0.00 54.79 55.97 1kyi n ASP 158 Cb 0.69 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.63 1kyi n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1kyi n ILE 159 N -0.10 0.00 -3.06 0.53 5.41 -1.20 -5.02 119.36 115.91 1kyi n ILE 159 Ca 0.19 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.55 1kyi n ILE 159 Cb 0.29 -0.49 -0.05 0.00 -0.71 0.00 0.00 39.64 38.68 1kyi n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kyi n VAL 161 N 2.81 0.03 -1.15 0.00 0.24 -1.26 -3.26 118.33 115.75 1kyi n VAL 161 Ca -0.04 -0.14 0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1kyi n VAL 161 Cb 0.50 0.03 0.17 0.00 -1.47 0.00 0.00 33.84 33.08 1kyi n VAL 161 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1kyi n PHE 162 N -0.34 0.16 -3.82 6.34 3.72 -1.26 -4.98 117.46 117.28 1kyi n PHE 162 Ca 0.20 -1.07 -0.13 0.00 -0.05 0.00 0.00 57.45 56.40 1kyi n PHE 162 Cb 0.23 -0.20 -0.14 0.00 -0.94 0.00 0.00 39.48 38.43 1kyi n PHE 162 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1kyi s THR 163 N -2.94 -0.02 0.53 4.37 2.01 -1.20 -3.93 115.64 114.46 1kyi s THR 163 Ca 0.35 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1kyi s THR 163 Cb 0.30 -0.08 0.02 0.00 0.01 0.00 0.00 72.50 72.76 1kyi s THR 163 CO 0.02 0.03 0.19 -0.46 -0.69 0.00 0.00 174.62 173.72 1kyi n ASN 164 N 3.52 3.12 -1.46 3.53 2.04 -1.26 -4.64 115.26 120.11 1kyi n ASN 164 Ca -0.18 -3.08 0.08 0.00 -0.44 0.00 0.00 54.58 50.96 1kyi n ASN 164 Cb 0.56 0.17 0.32 0.00 -2.53 0.00 0.00 39.78 38.30 1kyi n ASN 164 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1kyi n THR 165 N -1.51 1.63 -3.41 5.53 -2.24 -1.26 -4.66 114.28 108.36 1kyi n THR 165 Ca -0.12 -1.04 -0.43 0.00 -2.27 0.00 0.00 64.05 60.18 1kyi n THR 165 Cb 0.64 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 1kyi n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1kyi s ASN 166 N -0.84 6.90 0.33 3.42 3.84 -1.26 -5.05 114.94 122.29 1kyi s ASN 166 Ca 0.46 -3.44 0.08 0.00 0.21 0.00 0.00 52.86 50.17 1kyi s ASN 166 Cb 0.29 -2.14 -0.04 0.00 -0.55 0.00 0.00 41.25 38.81 1kyi s ASN 166 CO 0.22 -0.32 0.15 0.72 -2.79 0.00 0.00 177.10 175.08 1kyi s PHE 167 N -0.99 2.74 -0.17 0.43 -0.12 -1.26 -1.16 117.98 117.45 1kyi s PHE 167 Ca 0.27 -0.35 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 1kyi s PHE 167 Cb -0.10 -1.62 0.03 0.00 -0.63 0.00 0.00 43.02 40.70 1kyi s PHE 167 CO -0.09 0.35 -0.12 0.95 -0.05 0.00 0.00 175.22 176.26 1kyi s THR 168 N -2.40 1.54 -0.04 -4.49 -4.23 -0.68 -4.98 115.64 100.36 1kyi s THR 168 Ca 0.37 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 1kyi s THR 168 Cb -0.03 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 1kyi s THR 168 CO 0.23 0.33 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.89 1kyi s ILE 169 N 1.48 3.29 0.02 2.99 1.01 -1.26 -3.29 121.20 125.43 1kyi s ILE 169 Ca 0.03 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1kyi s ILE 169 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1kyi s ILE 169 CO -0.10 0.54 -0.16 -1.61 0.00 0.00 0.00 174.94 173.61 1kyi s GLU 170 N -0.93 1.17 0.07 2.79 0.41 -0.94 -5.00 118.70 116.27 1kyi s GLU 170 Ca 0.13 -0.70 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 1kyi s GLU 170 Cb -0.11 -1.18 -0.04 0.00 -1.78 0.00 0.00 34.13 31.02 1kyi s GLU 170 CO 0.02 0.31 -0.05 -1.83 -0.49 0.00 0.00 175.26 173.23 1kyi s GLU 171 N -0.80 0.70 0.00 1.61 -1.05 -1.26 -0.76 118.70 117.15 1kyi s GLU 171 Ca 0.05 -1.26 0.05 0.00 -0.15 0.00 0.00 54.97 53.65 1kyi s GLU 171 Cb -0.07 0.03 -0.01 0.00 -0.44 0.00 0.00 34.13 33.63 1kyi s GLU 171 CO 0.01 -0.07 -0.15 -0.51 0.95 0.00 0.00 175.26 175.49 1kyi s LEU 172 N -2.96 2.06 0.00 1.83 1.43 -0.14 -5.00 118.68 115.90 1kyi s LEU 172 Ca 0.09 -0.31 0.24 0.00 -1.03 0.00 0.00 54.13 53.12 1kyi s LEU 172 Cb 0.07 -0.74 1.46 0.00 0.03 0.00 0.00 46.19 47.01 1kyi s LEU 172 CO -0.08 0.15 1.82 -0.81 0.23 0.00 0.00 176.35 177.67