#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kt8 n GLU 2 N 0.00 -4.47 -4.14 0.00 1.02 -1.26 -4.55 120.64 107.24 2kt8 n GLU 2 Ca 0.00 3.20 -0.16 0.00 -0.02 0.00 0.00 57.16 60.18 2kt8 n GLU 2 Cb 0.00 -3.86 -0.12 0.00 -0.02 0.00 0.00 31.44 27.44 2kt8 n GLU 2 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kt8 s LYS 3 N -0.47 0.73 -0.21 3.49 1.02 -1.09 -4.20 119.74 119.01 2kt8 s LYS 3 Ca 0.00 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.05 2kt8 s LYS 3 Cb 0.00 -0.60 0.01 0.00 -0.52 0.00 0.00 37.83 36.73 2kt8 s LYS 3 CO 0.00 0.12 -0.11 0.95 -0.92 0.00 0.00 175.35 175.39 2kt8 s THR 4 N -1.53 2.69 -0.16 2.17 -4.23 -0.82 0.52 115.64 114.28 2kt8 s THR 4 Ca -0.03 -0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 59.57 2kt8 s THR 4 Cb -0.09 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2kt8 s THR 4 CO 0.01 0.39 0.03 -0.83 -0.54 0.00 0.00 174.62 173.68 2kt8 s GLY 5 N 1.35 1.85 -0.13 3.99 0.00 -1.06 -2.67 107.32 110.67 2kt8 s GLY 5 Ca 0.03 -0.77 -0.25 0.00 0.00 0.00 0.00 44.72 43.74 2kt8 s GLY 5 CO -0.07 -0.07 0.79 -0.42 0.00 0.00 0.00 173.10 173.33 2kt8 s ILE 6 N 0.16 4.94 0.03 0.90 1.09 -0.87 -2.62 121.20 124.83 2kt8 s ILE 6 Ca 0.03 1.59 -0.30 0.00 -1.10 0.00 0.00 60.65 60.86 2kt8 s ILE 6 Cb -0.13 -4.11 -0.05 0.00 -1.06 0.00 0.00 42.46 37.11 2kt8 s ILE 6 CO 0.01 0.11 1.17 -0.69 -0.10 0.00 0.00 174.94 175.44 2kt8 s VAL 7 N 1.64 4.19 -0.32 2.92 1.01 -0.96 -2.14 120.40 126.75 2kt8 s VAL 7 Ca 0.39 1.56 0.04 0.00 0.00 0.00 0.00 61.98 63.97 2kt8 s VAL 7 Cb -0.17 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.29 2kt8 s VAL 7 CO 0.15 0.10 0.01 0.21 0.00 0.00 0.00 175.10 175.57 2kt8 s ASN 8 N 1.14 4.66 0.09 3.32 3.84 -0.90 -1.53 114.94 125.57 2kt8 s ASN 8 Ca 0.57 -1.95 0.01 0.00 0.21 0.00 0.00 52.86 51.71 2kt8 s ASN 8 Cb -0.27 -1.58 -0.04 0.00 -0.55 0.00 0.00 41.25 38.80 2kt8 s ASN 8 CO 0.28 -0.33 -0.04 0.68 -2.79 0.00 0.00 177.10 174.89 2kt8 s VAL 9 N 0.97 0.53 -0.81 -5.21 -7.23 -1.26 -4.82 120.40 102.57 2kt8 s VAL 9 Ca 0.06 -1.90 0.26 0.00 -1.81 0.00 0.00 61.98 58.59 2kt8 s VAL 9 Cb -0.19 -1.70 0.20 0.00 0.56 0.00 0.00 36.38 35.24 2kt8 s VAL 9 CO -0.08 -0.84 1.68 -1.54 -0.31 0.00 0.00 175.10 174.01 2kt8 n SER 10 N -0.02 0.55 0.01 4.85 3.41 -1.26 -4.73 113.62 116.43 2kt8 n SER 10 Ca -0.12 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2kt8 n SER 10 Cb 0.61 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2kt8 n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kt8 n SER 11 N -1.96 -0.08 -3.87 4.04 7.64 -1.26 -5.11 113.62 113.02 2kt8 n SER 11 Ca 0.05 0.04 -0.08 0.00 1.01 0.00 0.00 58.87 59.89 2kt8 n SER 11 Cb 0.40 0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 2kt8 n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kt8 s SER 12 N -3.20 -0.22 -0.12 6.43 0.01 -1.26 -3.93 113.70 111.41 2kt8 s SER 12 Ca 0.00 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2kt8 s SER 12 Cb 0.00 0.66 -0.01 0.00 0.21 0.00 0.00 66.02 66.88 2kt8 s SER 12 CO 0.00 -1.23 -0.17 -0.22 0.41 0.00 0.00 173.24 172.03 2kt8 s LEU 13 N -2.94 2.46 -0.22 2.44 2.96 -0.74 -4.92 118.68 117.73 2kt8 s LEU 13 Ca 0.14 -0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 53.42 2kt8 s LEU 13 Cb -0.03 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2kt8 s LEU 13 CO 0.05 0.16 0.64 0.54 -1.32 0.00 0.00 176.35 176.42 2kt8 s ASN 14 N 0.37 6.66 0.54 3.68 2.20 -1.26 -0.09 114.94 127.04 2kt8 s ASN 14 Ca -0.14 0.80 -0.17 0.00 -0.94 0.00 0.00 52.86 52.42 2kt8 s ASN 14 Cb -0.17 -2.35 -0.06 0.00 -2.00 0.00 0.00 41.25 36.67 2kt8 s ASN 14 CO 0.07 -0.32 1.03 -0.69 -2.94 0.00 0.00 177.10 174.24 2kt8 s VAL 15 N 2.16 4.06 -0.03 3.54 1.01 0.22 -4.95 120.40 126.41 2kt8 s VAL 15 Ca 0.28 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.35 2kt8 s VAL 15 Cb -0.16 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 2kt8 s VAL 15 CO 0.10 -0.51 -0.14 -0.13 0.00 0.00 0.00 175.10 174.42 2kt8 s ARG 16 N -3.88 1.39 0.16 2.72 0.52 -0.90 -3.39 118.95 115.58 2kt8 s ARG 16 Ca 0.63 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 55.26 2kt8 s ARG 16 Cb -0.14 -1.26 0.02 0.00 0.52 0.00 0.00 34.95 34.09 2kt8 s ARG 16 CO 0.31 0.22 1.50 1.49 0.02 0.00 0.00 175.30 178.83 2kt8 h GLU 17 N 6.19 0.83 0.00 3.54 4.22 -1.75 0.28 114.58 127.90 2kt8 h GLU 17 Ca -0.33 -0.45 -0.48 0.00 0.08 0.00 0.00 59.36 58.18 2kt8 h GLU 17 Cb 1.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2kt8 h GLU 17 CO 0.48 1.08 -0.15 0.41 -2.18 0.00 0.00 179.01 178.65 2kt8 n GLY 18 N 0.13 2.35 0.63 1.92 0.00 -1.26 -4.61 105.19 104.36 2kt8 n GLY 18 Ca -0.02 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.87 2kt8 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kt8 n ALA 19 N -2.18 2.66 -2.09 4.61 0.00 -1.26 -4.61 120.51 117.65 2kt8 n ALA 19 Ca -0.14 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.43 2kt8 n ALA 19 Cb 0.56 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 2kt8 n ALA 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kt8 s SER 20 N -2.09 6.72 0.36 0.00 0.01 -1.26 -4.96 113.70 112.48 2kt8 s SER 20 Ca 0.31 1.32 0.14 0.00 1.31 0.00 0.00 55.95 59.03 2kt8 s SER 20 Cb 0.20 -2.39 0.69 0.00 0.21 0.00 0.00 66.02 64.73 2kt8 s SER 20 CO 0.36 -0.30 1.79 0.71 0.41 0.00 0.00 173.24 176.20 2kt8 h THR 21 N 1.66 1.20 -0.16 1.44 1.35 -2.03 -2.10 112.91 114.26 2kt8 h THR 21 Ca -0.48 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 2kt8 h THR 21 Cb 1.18 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2kt8 h THR 21 CO 0.64 0.40 0.00 -1.54 -0.25 0.00 0.00 175.52 174.77 2kt8 n SER 22 N -3.92 1.06 -4.75 5.36 3.41 -1.26 -4.91 113.62 108.60 2kt8 n SER 22 Ca -0.01 -1.82 -0.38 0.00 -0.26 0.00 0.00 58.87 56.40 2kt8 n SER 22 Cb 0.45 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 2kt8 n SER 22 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2kt8 s SER 23 N -1.25 5.43 0.27 4.04 0.15 -0.79 -4.94 113.70 116.60 2kt8 s SER 23 Ca 0.21 2.67 -0.29 0.00 0.70 0.00 0.00 55.95 59.24 2kt8 s SER 23 Cb 0.11 -2.63 -0.10 0.00 -1.71 0.00 0.00 66.02 61.69 2kt8 s SER 23 CO 0.16 -1.45 1.29 -0.75 1.20 0.00 0.00 173.24 173.69 2kt8 s LYS 24 N -2.88 4.40 0.03 5.44 2.20 -1.26 -4.79 119.74 122.88 2kt8 s LYS 24 Ca 0.70 2.11 -0.30 0.00 -0.36 0.00 0.00 55.97 58.12 2kt8 s LYS 24 Cb -0.38 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2kt8 s LYS 24 CO 0.45 -0.18 0.96 0.08 -0.36 0.00 0.00 175.35 176.30 2kt8 s VAL 25 N -0.57 4.76 -1.91 4.02 1.01 -1.26 -2.49 120.40 123.96 2kt8 s VAL 25 Ca 0.52 2.03 0.20 0.00 0.00 0.00 0.00 61.98 64.73 2kt8 s VAL 25 Cb -0.38 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.71 2kt8 s VAL 25 CO 0.45 0.22 1.02 2.30 0.00 0.00 0.00 175.10 179.08 2kt8 n ILE 26 N 3.51 0.00 -1.14 2.22 -5.35 -1.22 -4.96 119.36 112.43 2kt8 n ILE 26 Ca 0.04 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2kt8 n ILE 26 Cb 0.50 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 2kt8 n ILE 26 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kt8 n GLY 27 N 1.30 -2.38 3.22 3.28 0.00 -1.26 -5.03 105.19 104.32 2kt8 n GLY 27 Ca 0.09 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2kt8 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kt8 s SER 28 N -1.17 1.58 0.12 1.61 0.01 -1.26 -0.61 113.70 113.99 2kt8 s SER 28 Ca 0.00 -0.99 0.11 0.00 1.31 0.00 0.00 55.95 56.38 2kt8 s SER 28 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2kt8 s SER 28 CO 0.00 -0.36 -0.27 -0.76 0.41 0.00 0.00 173.24 172.26 2kt8 s LEU 29 N -3.06 2.31 0.74 2.44 1.43 0.88 -4.90 118.68 118.51 2kt8 s LEU 29 Ca 0.14 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 2kt8 s LEU 29 Cb 0.03 -1.22 0.03 0.00 0.03 0.00 0.00 46.19 45.06 2kt8 s LEU 29 CO -0.01 0.18 1.07 -0.44 0.23 0.00 0.00 176.35 177.39 2kt8 s SER 30 N -1.99 4.99 0.60 2.29 0.01 -1.26 -1.79 113.70 116.54 2kt8 s SER 30 Ca 0.14 1.55 -0.19 0.00 1.31 0.00 0.00 55.95 58.76 2kt8 s SER 30 Cb -0.10 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2kt8 s SER 30 CO 0.06 -1.69 1.26 -0.83 0.41 0.00 0.00 173.24 172.44 2kt8 s GLY 31 N -3.77 2.81 -1.51 3.44 0.00 -1.25 -2.72 107.32 104.31 2kt8 s GLY 31 Ca 0.59 1.12 -0.03 0.00 0.00 0.00 0.00 44.72 46.40 2kt8 s GLY 31 CO 0.55 1.54 0.32 0.70 0.00 0.00 0.00 173.10 176.22 2kt8 n ASN 32 N -1.59 -5.39 -4.69 1.64 3.02 -0.58 -4.94 115.26 102.74 2kt8 n ASN 32 Ca 0.14 -0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.15 2kt8 n ASN 32 Cb 0.48 -4.43 -0.06 0.00 -0.61 0.00 0.00 39.78 35.16 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kt8 s THR 33 N -3.02 5.11 0.07 3.41 2.01 -1.10 -4.73 115.64 117.39 2kt8 s THR 33 Ca 0.18 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 2kt8 s THR 33 Cb -0.09 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2kt8 s THR 33 CO 0.23 0.22 0.96 -0.75 -0.69 0.00 0.00 174.62 174.59 2kt8 s LYS 34 N 1.25 4.64 -0.07 4.92 2.20 -1.26 -2.25 119.74 129.16 2kt8 s LYS 34 Ca 0.27 1.42 0.04 0.00 -0.36 0.00 0.00 55.97 57.33 2kt8 s LYS 34 Cb -0.16 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2kt8 s LYS 34 CO 0.11 0.12 -0.19 0.14 -0.36 0.00 0.00 175.35 175.17 2kt8 s VAL 35 N 0.37 1.63 -0.04 4.02 -7.23 -1.08 -4.99 120.40 113.08 2kt8 s VAL 35 Ca 0.48 -0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 2kt8 s VAL 35 Cb -0.22 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2kt8 s VAL 35 CO 0.29 0.46 0.99 -0.89 -0.31 0.00 0.00 175.10 175.64 2kt8 s THR 36 N 0.30 4.84 -0.23 5.32 2.01 -1.26 -2.56 115.64 124.06 2kt8 s THR 36 Ca -0.12 2.05 -0.13 0.00 0.31 0.00 0.00 61.69 63.80 2kt8 s THR 36 Cb -0.15 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2kt8 s THR 36 CO 0.05 0.10 0.27 -0.63 -0.69 0.00 0.00 174.62 173.72 2kt8 s ILE 37 N 1.40 5.28 -1.39 1.82 1.01 0.19 -2.63 121.20 126.88 2kt8 s ILE 37 Ca 0.50 0.42 0.12 0.00 0.00 0.00 0.00 60.65 61.70 2kt8 s ILE 37 Cb -0.20 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.74 2kt8 s ILE 37 CO 0.24 0.29 0.84 1.33 0.00 0.00 0.00 174.94 177.64 2kt8 n VAL 38 N 4.38 0.00 -3.92 2.92 0.24 -1.02 -2.66 118.33 118.28 2kt8 n VAL 38 Ca -0.12 -0.48 0.02 0.00 -2.04 0.00 0.00 64.34 61.72 2kt8 n VAL 38 Cb 0.52 1.22 0.01 0.00 -1.47 0.00 0.00 33.84 34.12 2kt8 n VAL 38 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kt8 s GLY 39 N -1.07 -0.13 0.03 7.63 0.00 -1.23 -4.92 107.32 107.62 2kt8 s GLY 39 Ca 0.13 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 2kt8 s GLY 39 CO 0.17 4.32 0.06 1.85 0.00 0.00 0.00 173.10 179.50 2kt8 s GLU 40 N -2.11 0.52 -0.26 2.90 2.12 -1.26 -1.86 118.70 118.74 2kt8 s GLU 40 Ca 0.26 -0.72 -0.02 0.00 0.36 0.00 0.00 54.97 54.86 2kt8 s GLU 40 Cb -0.00 0.20 0.14 0.00 0.26 0.00 0.00 34.13 34.73 2kt8 s GLU 40 CO -0.00 -0.12 0.40 -2.00 -0.54 0.00 0.00 175.26 173.00 2kt8 s GLU 41 N -2.31 0.37 5.01 4.30 -6.30 -0.19 -4.86 118.70 114.72 2kt8 s GLU 41 Ca -0.08 0.46 0.00 0.00 -2.50 0.00 0.00 54.97 52.85 2kt8 s GLU 41 Cb -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 34.13 33.71 2kt8 s GLU 41 CO -0.03 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 174.92 2kt8 n GLY 42 N 5.36 2.80 1.10 -1.50 0.00 -1.26 -1.07 105.19 110.64 2kt8 n GLY 42 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 2kt8 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kt8 n ALA 43 N 8.80 3.06 -2.70 4.61 0.00 -1.26 -4.80 120.51 128.22 2kt8 n ALA 43 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 53.44 52.67 2kt8 n ALA 43 Cb 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.24 2kt8 n ALA 43 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kt8 s PHE 44 N -1.02 1.01 -0.09 0.00 0.08 -0.23 -2.15 117.98 115.57 2kt8 s PHE 44 Ca 0.13 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 2kt8 s PHE 44 Cb 0.11 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.92 2kt8 s PHE 44 CO 0.03 0.00 0.00 0.71 -0.10 0.00 0.00 175.22 175.86 2kt8 s TYR 45 N -0.79 3.16 -0.12 0.36 2.02 -0.26 -1.03 117.35 120.69 2kt8 s TYR 45 Ca -0.00 0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.70 2kt8 s TYR 45 Cb -0.07 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 2kt8 s TYR 45 CO 0.01 0.45 0.42 0.21 -1.57 0.00 0.00 175.55 175.07 2kt8 s LYS 46 N -0.82 4.30 0.10 -0.62 2.20 -0.78 -2.63 119.74 121.49 2kt8 s LYS 46 Ca 0.12 0.35 0.05 0.00 -0.36 0.00 0.00 55.97 56.13 2kt8 s LYS 46 Cb -0.11 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2kt8 s LYS 46 CO 0.02 0.20 -0.12 0.96 -0.36 0.00 0.00 175.35 176.05 2kt8 s ILE 47 N 0.51 1.12 -0.73 5.43 -4.36 -0.45 -2.42 121.20 120.29 2kt8 s ILE 47 Ca 0.23 -1.62 -0.20 0.00 -0.26 0.00 0.00 60.65 58.81 2kt8 s ILE 47 Cb -0.15 -1.38 0.10 0.00 1.25 0.00 0.00 42.46 42.29 2kt8 s ILE 47 CO 0.09 -0.45 0.93 -0.70 0.24 0.00 0.00 174.94 175.05 2kt8 s GLU 48 N -2.57 3.26 -0.22 0.37 2.12 -1.08 -1.84 118.70 118.74 2kt8 s GLU 48 Ca 0.06 -1.32 -0.06 0.00 0.36 0.00 0.00 54.97 54.01 2kt8 s GLU 48 Cb -0.05 -4.45 -0.03 0.00 0.26 0.00 0.00 34.13 29.86 2kt8 s GLU 48 CO 0.02 -1.71 0.03 -0.47 -0.54 0.00 0.00 175.26 172.59 2kt8 s TYR 49 N 3.10 3.07 -1.28 5.30 5.04 -0.76 -4.51 117.35 127.31 2kt8 s TYR 49 Ca 0.22 -0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 54.38 2kt8 s TYR 49 Cb -0.15 -2.13 0.05 0.00 0.35 0.00 0.00 41.96 40.07 2kt8 s TYR 49 CO 0.02 -0.25 0.43 1.17 -1.34 0.00 0.00 175.55 175.58 2kt8 n LYS 50 N 4.41 -3.45 0.00 4.97 4.81 -1.26 0.60 118.16 128.24 2kt8 n LYS 50 Ca -0.17 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 2kt8 n LYS 50 Cb 0.52 -5.28 0.00 0.00 0.02 0.00 0.00 35.03 30.29 2kt8 n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kt8 n GLY 51 N -1.17 2.46 3.98 3.14 0.00 -1.26 -4.97 105.19 107.37 2kt8 n GLY 51 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2kt8 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kt8 s SER 52 N -3.16 4.75 -0.54 1.61 0.15 0.20 -5.04 113.70 111.67 2kt8 s SER 52 Ca 0.00 -0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.32 2kt8 s SER 52 Cb 0.00 -0.45 0.10 0.00 -1.71 0.00 0.00 66.02 63.97 2kt8 s SER 52 CO 0.00 -1.56 0.57 -1.00 1.20 0.00 0.00 173.24 172.45 2kt8 s HIS 53 N -3.00 3.13 -0.09 3.44 3.76 -1.26 -1.84 115.29 119.43 2kt8 s HIS 53 Ca 0.62 -1.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.41 2kt8 s HIS 53 Cb -0.08 -3.74 -0.05 0.00 1.11 0.00 0.00 32.58 29.82 2kt8 s HIS 53 CO 0.42 -1.09 0.25 0.20 -0.85 0.00 0.00 174.74 173.67 2kt8 s GLY 54 N 3.34 2.26 -0.04 -2.22 0.00 -0.77 -4.63 107.32 105.26 2kt8 s GLY 54 Ca 0.08 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.39 2kt8 s GLY 54 CO 0.06 -0.05 -0.25 -0.19 0.00 0.00 0.00 173.10 172.67 2kt8 s TYR 55 N -0.72 2.41 0.04 1.90 1.51 0.98 -1.34 117.35 122.13 2kt8 s TYR 55 Ca 0.18 -0.59 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 2kt8 s TYR 55 Cb -0.14 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 2kt8 s TYR 55 CO 0.07 -0.13 -0.04 0.14 -1.11 0.00 0.00 175.55 174.48 2kt8 s VAL 56 N -0.37 0.22 0.43 0.71 -7.23 -1.08 -2.11 120.40 110.98 2kt8 s VAL 56 Ca 0.03 -1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 58.61 2kt8 s VAL 56 Cb -0.12 -0.90 -0.08 0.00 0.56 0.00 0.00 36.38 35.84 2kt8 s VAL 56 CO 0.02 -0.72 1.07 0.00 -0.31 0.00 0.00 175.10 175.16 2kt8 s ALA 57 N -2.61 3.01 -0.82 1.32 0.00 -1.26 -1.10 121.76 120.30 2kt8 s ALA 57 Ca -0.04 0.74 0.13 0.00 0.00 0.00 0.00 51.96 52.78 2kt8 s ALA 57 Cb -0.02 -3.29 0.58 0.00 0.00 0.00 0.00 23.12 20.39 2kt8 s ALA 57 CO -0.05 -0.34 1.41 0.36 0.00 0.00 0.00 175.76 177.13 2kt8 n LYS 58 N -0.37 0.05 0.02 0.00 2.85 -0.92 -2.30 118.16 117.49 2kt8 n LYS 58 Ca 0.06 0.39 -0.03 0.00 -1.05 0.00 0.00 58.31 57.68 2kt8 n LYS 58 Cb 0.50 -1.62 0.20 0.00 -0.65 0.00 0.00 35.03 33.46 2kt8 n LYS 58 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2kt8 h GLU 59 N 0.00 0.48 -0.14 -1.58 4.81 -1.90 -2.33 114.58 113.91 2kt8 h GLU 59 Ca 0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2kt8 h GLU 59 Cb 0.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2kt8 h GLU 59 CO 0.00 0.70 0.00 0.66 -0.73 0.00 0.00 179.01 179.64 2kt8 n TYR 60 N -4.12 0.18 -3.98 0.92 4.01 -0.97 -4.83 117.16 108.36 2kt8 n TYR 60 Ca -0.00 -0.09 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 2kt8 n TYR 60 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 2kt8 n TYR 60 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2kt8 s ILE 61 N -1.82 4.83 0.04 -0.72 -1.09 -0.88 -2.12 121.20 119.44 2kt8 s ILE 61 Ca 0.34 -0.02 -0.09 0.00 -2.23 0.00 0.00 60.65 58.65 2kt8 s ILE 61 Cb 0.19 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2kt8 s ILE 61 CO 0.28 0.46 0.18 -0.75 -1.23 0.00 0.00 174.94 173.88 2kt8 s LYS 62 N 0.40 0.68 -0.98 2.79 2.20 -0.91 -4.92 119.74 119.00 2kt8 s LYS 62 Ca 0.03 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 54.97 2kt8 s LYS 62 Cb -0.12 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2kt8 s LYS 62 CO 0.00 -0.19 0.83 -3.47 -0.36 0.00 0.00 175.35 172.15 2kt8 n ASP 63 N 0.68 -3.13 -4.68 1.43 -0.08 -1.26 -2.05 116.55 107.47 2kt8 n ASP 63 Ca -0.19 -0.54 -0.43 0.00 -1.51 0.00 0.00 54.79 52.12 2kt8 n ASP 63 Cb 0.59 -4.43 -0.02 0.00 2.34 0.00 0.00 41.12 39.59 2kt8 n ASP 63 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2kt8 s ILE 64 N -3.31 4.55 0.00 5.18 1.01 -1.26 -4.15 121.20 123.21 2kt8 s ILE 64 Ca 0.11 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 62.60 2kt8 s ILE 64 Cb -0.01 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.26 2kt8 s ILE 64 CO 0.62 -0.06 0.01 -0.75 0.00 0.00 0.00 174.94 174.76 2kt8 s LYS 65 N 2.55 0.10 -0.28 2.79 2.47 -1.09 -4.99 119.74 121.29 2kt8 s LYS 65 Ca 0.50 -0.14 -0.25 0.00 -1.56 0.00 0.00 55.97 54.53 2kt8 s LYS 65 Cb -0.20 0.04 0.00 0.00 -1.46 0.00 0.00 37.83 36.21 2kt8 s LYS 65 CO 0.16 -0.02 0.84 -0.51 0.16 0.00 0.00 175.35 175.98 2kt8 s ASP 66 N -0.37 6.77 0.04 1.43 1.11 -1.26 -1.95 116.67 122.43 2kt8 s ASP 66 Ca -0.04 0.87 0.23 0.00 0.18 0.00 0.00 52.55 53.78 2kt8 s ASP 66 Cb -0.03 -2.44 0.01 0.00 1.07 0.00 0.00 42.92 41.54 2kt8 s ASP 66 CO -0.00 -0.60 0.99 -0.62 1.18 0.00 0.00 175.17 176.11 2kt8 n GLU 67 N 6.20 0.28 -1.09 8.23 1.02 -1.26 -4.99 120.64 129.03 2kt8 n GLU 67 Ca 0.05 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.29 2kt8 n GLU 67 Cb 0.48 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2kt8 n VAL 68 N -1.94 -0.04 -2.00 2.62 0.31 -1.26 -3.82 118.33 112.19 2kt8 n VAL 68 Ca 0.02 0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 64.26 2kt8 n VAL 68 Cb 0.43 -0.62 -0.03 0.00 -0.91 0.00 0.00 33.84 32.71 2kt8 n VAL 68 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2kt8 s LEU 69 N -5.64 3.41 -0.21 7.52 0.20 -1.26 -4.18 118.68 118.52 2kt8 s LEU 69 Ca 0.00 0.86 -0.18 0.00 0.69 0.00 0.00 54.13 55.50 2kt8 s LEU 69 Cb 0.00 -3.04 0.03 0.00 -0.43 0.00 0.00 46.19 42.75 2kt8 s LEU 69 CO 0.00 -2.05 0.30 -0.62 -0.29 0.00 0.00 176.35 173.70 2kt8 n GLU 70 N 8.77 -1.04 -2.78 1.98 1.02 -1.26 -4.94 120.64 122.38 2kt8 n GLU 70 Ca 0.22 1.08 -0.24 0.00 -0.02 0.00 0.00 57.16 58.20 2kt8 n GLU 70 Cb 0.49 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.44 2kt8 n GLU 70 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kt8 s HIS 71 N -1.22 3.24 -0.10 -0.32 -3.43 -1.25 -5.11 115.29 107.10 2kt8 s HIS 71 Ca 0.18 0.38 -0.07 0.00 -0.80 0.00 0.00 55.06 54.75 2kt8 s HIS 71 Cb -0.02 -2.46 0.04 0.00 -1.43 0.00 0.00 32.58 28.72 2kt8 s HIS 71 CO 0.41 -0.51 0.25 -3.38 -2.00 0.00 0.00 174.74 169.51 2kt8 s HIS 72 N -2.70 -0.32 -0.33 0.38 -3.43 -1.26 -5.09 115.29 102.53 2kt8 s HIS 72 Ca 0.50 0.77 -0.04 0.00 -0.80 0.00 0.00 55.06 55.49 2kt8 s HIS 72 Cb -0.10 0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.17 2kt8 s HIS 72 CO 0.40 -0.20 0.06 -1.01 -2.00 0.00 0.00 174.74 171.99 2kt8 s HIS 73 N 0.88 3.29 0.00 0.38 3.76 -1.26 -4.60 115.29 117.74 2kt8 s HIS 73 Ca -0.06 -1.74 0.00 0.00 -0.15 0.00 0.00 55.06 53.11 2kt8 s HIS 73 Cb -0.07 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.33 2kt8 s HIS 73 CO -0.06 -0.79 0.00 1.58 -0.85 0.00 0.00 174.74 174.62 2kt8 n HIS 74 N 4.70 0.00 -3.27 1.40 -0.00 -1.26 -4.88 115.22 111.91 2kt8 n HIS 74 Ca -0.12 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.22 2kt8 n HIS 74 Cb 0.44 -1.39 -0.06 0.00 -0.00 0.00 0.00 29.99 28.98 2kt8 n HIS 74 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kt8 s HIS 75 N -0.68 3.69 -1.84 1.57 5.04 -1.26 -5.36 115.29 116.45 2kt8 s HIS 75 Ca 0.00 1.15 0.00 0.00 -1.54 0.00 0.00 55.06 54.67 2kt8 s HIS 75 Cb 0.00 -2.54 0.00 0.00 0.04 0.00 0.00 32.58 30.08 2kt8 s HIS 75 CO 0.00 0.40 0.46 1.58 -2.34 0.00 0.00 174.74 174.84