#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kt8 s GLU 2 N 0.00 4.37 0.05 0.00 2.12 -1.26 -4.90 118.70 119.07 2kt8 s GLU 2 Ca 0.00 2.16 0.01 0.00 0.36 0.00 0.00 54.97 57.50 2kt8 s GLU 2 Cb 0.00 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 2kt8 s GLU 2 CO 0.00 -0.22 -0.06 0.15 -0.54 0.00 0.00 175.26 174.59 2kt8 s LYS 3 N -1.05 0.52 -0.13 4.30 1.02 -1.07 -4.45 119.74 118.89 2kt8 s LYS 3 Ca 0.53 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2kt8 s LYS 3 Cb -0.39 -0.10 0.01 0.00 -0.52 0.00 0.00 37.83 36.84 2kt8 s LYS 3 CO 0.46 -0.01 -0.18 0.95 -0.92 0.00 0.00 175.35 175.65 2kt8 s THR 4 N -2.10 1.76 -0.16 2.17 -4.23 -0.99 0.31 115.64 112.40 2kt8 s THR 4 Ca -0.06 -0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 59.58 2kt8 s THR 4 Cb -0.05 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 2kt8 s THR 4 CO -0.02 0.49 0.10 -0.83 -0.54 0.00 0.00 174.62 173.82 2kt8 s GLY 5 N 0.97 2.01 -0.11 3.99 0.00 -0.90 -1.69 107.32 111.59 2kt8 s GLY 5 Ca -0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 44.72 43.71 2kt8 s GLY 5 CO -0.03 -0.10 0.82 -0.42 0.00 0.00 0.00 173.10 173.37 2kt8 s ILE 6 N -0.14 4.93 -0.75 0.90 -1.09 -1.01 -2.68 121.20 121.36 2kt8 s ILE 6 Ca 0.09 1.65 -0.25 0.00 -2.23 0.00 0.00 60.65 59.91 2kt8 s ILE 6 Cb -0.12 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.67 2kt8 s ILE 6 CO 0.01 0.12 1.19 -0.69 -1.23 0.00 0.00 174.94 174.34 2kt8 s VAL 7 N 1.55 3.97 -0.43 2.92 1.01 -0.95 -2.08 120.40 126.39 2kt8 s VAL 7 Ca 0.40 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 2kt8 s VAL 7 Cb -0.18 -4.86 0.05 0.00 0.00 0.00 0.00 36.38 31.40 2kt8 s VAL 7 CO 0.17 -1.73 0.32 0.21 0.00 0.00 0.00 175.10 174.07 2kt8 s ASN 8 N 3.84 6.02 -0.00 3.32 2.47 -0.89 -0.23 114.94 129.47 2kt8 s ASN 8 Ca 0.32 -1.18 -0.02 0.00 0.42 0.00 0.00 52.86 52.40 2kt8 s ASN 8 Cb -0.10 -2.13 -0.00 0.00 -1.45 0.00 0.00 41.25 37.57 2kt8 s ASN 8 CO 0.10 -0.54 0.03 0.68 -3.72 0.00 0.00 177.10 173.65 2kt8 s VAL 9 N 1.61 0.04 -0.51 -5.21 -7.23 -1.26 -4.79 120.40 103.05 2kt8 s VAL 9 Ca 0.04 -0.37 0.20 0.00 -1.81 0.00 0.00 61.98 60.04 2kt8 s VAL 9 Cb -0.22 -0.17 0.21 0.00 0.56 0.00 0.00 36.38 36.76 2kt8 s VAL 9 CO 0.07 -0.20 1.62 -0.24 -0.31 0.00 0.00 175.10 176.04 2kt8 n SER 10 N 2.42 0.51 0.00 4.85 2.88 -1.26 -4.71 113.62 118.31 2kt8 n SER 10 Ca -0.17 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2kt8 n SER 10 Cb 0.58 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2kt8 n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kt8 n SER 11 N -2.10 0.00 -4.30 -3.46 3.41 -1.26 -5.11 113.62 100.80 2kt8 n SER 11 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.44 2kt8 n SER 11 Cb 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 2kt8 n SER 11 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kt8 s SER 12 N 1.06 2.36 -0.14 4.04 0.01 -1.26 -3.77 113.70 116.00 2kt8 s SER 12 Ca 0.00 -0.92 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 2kt8 s SER 12 Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 2kt8 s SER 12 CO 0.00 -0.15 -0.11 -0.22 0.41 0.00 0.00 173.24 173.17 2kt8 s LEU 13 N -2.91 2.79 0.35 2.44 2.96 -0.70 -4.99 118.68 118.62 2kt8 s LEU 13 Ca 0.17 -0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.61 2kt8 s LEU 13 Cb -0.03 -1.64 -0.09 0.00 0.50 0.00 0.00 46.19 44.93 2kt8 s LEU 13 CO 0.05 0.14 0.77 0.20 -1.32 0.00 0.00 176.35 176.20 2kt8 s ASN 14 N 0.48 6.75 -0.18 3.68 0.01 -1.26 0.36 114.94 124.78 2kt8 s ASN 14 Ca -0.08 1.31 -0.07 0.00 -0.71 0.00 0.00 52.86 53.31 2kt8 s ASN 14 Cb -0.15 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2kt8 s ASN 14 CO 0.04 -0.26 0.05 -0.69 -1.51 0.00 0.00 177.10 174.73 2kt8 s VAL 15 N -2.08 4.67 -0.15 1.60 1.01 -0.15 -4.84 120.40 120.46 2kt8 s VAL 15 Ca 0.55 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 2kt8 s VAL 15 Cb -0.10 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2kt8 s VAL 15 CO 0.19 0.47 0.03 -0.13 0.00 0.00 0.00 175.10 175.66 2kt8 s ARG 16 N 0.36 3.66 0.17 2.72 0.52 -0.92 -2.85 118.95 122.63 2kt8 s ARG 16 Ca 0.02 -0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 54.80 2kt8 s ARG 16 Cb -0.13 -3.06 0.06 0.00 0.52 0.00 0.00 34.95 32.34 2kt8 s ARG 16 CO 0.00 0.40 1.48 1.05 0.02 0.00 0.00 175.30 178.25 2kt8 h GLU 17 N 6.24 0.64 -6.61 3.54 4.11 -1.80 0.32 114.58 121.02 2kt8 h GLU 17 Ca -0.40 -0.41 -0.50 0.00 0.07 0.00 0.00 59.36 58.12 2kt8 h GLU 17 Cb 1.18 0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.50 2kt8 h GLU 17 CO 0.65 1.02 -0.10 0.20 0.07 0.00 0.00 179.01 180.85 2kt8 s GLY 18 N -4.08 1.76 0.00 1.06 0.00 -1.26 -4.62 107.32 100.17 2kt8 s GLY 18 Ca -0.08 -2.12 0.26 0.00 0.00 0.00 0.00 44.72 42.77 2kt8 s GLY 18 CO 0.85 -1.73 1.49 0.00 0.00 0.00 0.00 173.10 173.72 2kt8 n ALA 19 N -2.25 2.75 -2.00 3.20 0.00 -1.26 -4.61 120.51 116.33 2kt8 n ALA 19 Ca 0.15 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.73 2kt8 n ALA 19 Cb 0.62 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.14 6.85 0.12 0.00 0.01 -1.26 -4.94 113.70 112.35 2kt8 s SER 20 Ca 0.30 1.46 -0.15 0.00 1.31 0.00 0.00 55.95 58.86 2kt8 s SER 20 Cb 0.20 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 2kt8 s SER 20 CO 0.39 -0.26 1.61 0.74 0.41 0.00 0.00 173.24 176.12 2kt8 h THR 21 N 1.96 1.24 0.00 1.44 2.02 -2.03 -2.13 112.91 115.41 2kt8 h THR 21 Ca -0.48 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2kt8 h THR 21 Cb 1.18 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2kt8 h THR 21 CO 0.64 0.29 0.00 -1.54 0.37 0.00 0.00 175.52 175.27 2kt8 n SER 22 N -4.54 0.62 -4.75 4.18 3.41 -1.26 -4.87 113.62 106.40 2kt8 n SER 22 Ca -0.01 -1.85 -0.36 0.00 -0.26 0.00 0.00 58.87 56.39 2kt8 n SER 22 Cb 0.22 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2kt8 n SER 22 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kt8 s SER 23 N -0.41 5.06 0.27 4.04 0.01 -0.80 -4.95 113.70 116.91 2kt8 s SER 23 Ca 0.00 2.48 -0.29 0.00 1.31 0.00 0.00 55.95 59.45 2kt8 s SER 23 Cb 0.00 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 2kt8 s SER 23 CO 0.00 -1.69 1.22 -0.75 0.41 0.00 0.00 173.24 172.43 2kt8 s LYS 24 N -3.29 4.49 -0.07 12.44 2.20 -1.26 -4.84 119.74 129.40 2kt8 s LYS 24 Ca 0.78 1.99 -0.23 0.00 -0.36 0.00 0.00 55.97 58.15 2kt8 s LYS 24 Cb -0.33 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2kt8 s LYS 24 CO 0.36 -0.04 0.67 0.08 -0.36 0.00 0.00 175.35 176.06 2kt8 s VAL 25 N -0.76 5.06 -1.71 4.02 1.01 -1.26 -2.72 120.40 124.04 2kt8 s VAL 25 Ca 0.49 1.37 0.19 0.00 0.00 0.00 0.00 61.98 64.03 2kt8 s VAL 25 Cb -0.35 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 2kt8 s VAL 25 CO 0.44 0.27 0.95 2.30 0.00 0.00 0.00 175.10 179.05 2kt8 n ILE 26 N 3.72 0.00 -3.40 2.22 -5.35 -1.13 -4.98 119.36 110.43 2kt8 n ILE 26 Ca -0.02 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2kt8 n ILE 26 Cb 0.51 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 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 1.24 -0.84 3.48 3.28 0.00 -1.26 -5.04 105.19 106.06 2kt8 n GLY 27 Ca 0.08 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2kt8 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kt8 s SER 28 N -4.00 -0.33 0.11 1.61 1.04 -1.26 -0.98 113.70 109.89 2kt8 s SER 28 Ca 0.00 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.17 2kt8 s SER 28 Cb 0.00 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2kt8 s SER 28 CO 0.00 -1.02 -0.21 -0.76 0.98 0.00 0.00 173.24 172.24 2kt8 s LEU 29 N -2.83 2.32 0.78 2.42 1.43 0.16 -4.88 118.68 118.08 2kt8 s LEU 29 Ca 0.06 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 2kt8 s LEU 29 Cb -0.01 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.37 2kt8 s LEU 29 CO -0.06 0.05 1.10 -0.94 0.23 0.00 0.00 176.35 176.72 2kt8 s SER 30 N -2.04 4.72 0.70 2.29 1.04 -1.26 -1.72 113.70 117.43 2kt8 s SER 30 Ca 0.08 1.26 -0.16 0.00 0.48 0.00 0.00 55.95 57.62 2kt8 s SER 30 Cb -0.09 -2.01 0.02 0.00 0.10 0.00 0.00 66.02 64.04 2kt8 s SER 30 CO 0.05 -1.82 1.23 -0.83 0.98 0.00 0.00 173.24 172.84 2kt8 s GLY 31 N -4.02 2.50 -1.57 7.32 0.00 -1.25 -2.92 107.32 107.39 2kt8 s GLY 31 Ca 0.60 0.97 -0.02 0.00 0.00 0.00 0.00 44.72 46.27 2kt8 s GLY 31 CO 0.54 1.38 0.25 -2.01 0.00 0.00 0.00 173.10 173.25 2kt8 n ASN 32 N -2.43 -5.54 -4.69 1.64 5.15 0.69 -4.95 115.26 105.12 2kt8 n ASN 32 Ca 0.14 -0.11 -0.39 0.00 -0.60 0.00 0.00 54.58 53.62 2kt8 n ASN 32 Cb 0.50 -4.57 -0.06 0.00 -0.53 0.00 0.00 39.78 35.12 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kt8 s THR 33 N -3.02 5.10 0.04 -0.44 2.01 -1.15 -4.78 115.64 113.40 2kt8 s THR 33 Ca 0.14 1.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.98 2kt8 s THR 33 Cb -0.06 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2kt8 s THR 33 CO 0.17 0.22 0.85 -0.75 -0.69 0.00 0.00 174.62 174.42 2kt8 s LYS 34 N 1.23 4.56 -0.05 4.92 2.20 -1.26 -2.25 119.74 129.09 2kt8 s LYS 34 Ca 0.29 1.22 0.04 0.00 -0.36 0.00 0.00 55.97 57.15 2kt8 s LYS 34 Cb -0.16 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 2kt8 s LYS 34 CO 0.12 0.17 -0.17 0.14 -0.36 0.00 0.00 175.35 175.25 2kt8 s VAL 35 N 0.26 1.44 -0.06 4.02 -7.23 -1.09 -5.00 120.40 112.74 2kt8 s VAL 35 Ca 0.43 -0.70 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 2kt8 s VAL 35 Cb -0.21 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2kt8 s VAL 35 CO 0.25 0.42 0.98 -0.89 -0.31 0.00 0.00 175.10 175.55 2kt8 s THR 36 N 0.20 4.83 -0.20 5.32 2.01 -1.26 -2.12 115.64 124.42 2kt8 s THR 36 Ca -0.08 2.02 -0.07 0.00 0.31 0.00 0.00 61.69 63.87 2kt8 s THR 36 Cb -0.13 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 2kt8 s THR 36 CO 0.03 0.08 0.05 -0.63 -0.69 0.00 0.00 174.62 173.46 2kt8 s ILE 37 N 1.54 4.48 -0.95 1.82 1.01 0.15 -2.64 121.20 126.60 2kt8 s ILE 37 Ca 0.49 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 61.09 2kt8 s ILE 37 Cb -0.19 -3.03 0.04 0.00 0.01 0.00 0.00 42.46 39.28 2kt8 s ILE 37 CO 0.22 0.43 0.69 1.33 0.00 0.00 0.00 174.94 177.61 2kt8 n VAL 38 N 3.99 0.00 -3.90 2.92 0.24 -1.18 -2.59 118.33 117.80 2kt8 n VAL 38 Ca -0.17 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2kt8 n VAL 38 Cb 0.52 1.15 0.01 0.00 -1.47 0.00 0.00 33.84 34.05 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 -0.93 -0.09 0.06 7.63 0.00 -1.25 -5.01 107.32 107.72 2kt8 s GLY 39 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 44.72 44.78 2kt8 s GLY 39 CO 0.15 3.73 0.02 -1.83 0.00 0.00 0.00 173.10 175.17 2kt8 s GLU 40 N -2.16 0.66 -0.26 2.90 -1.05 -1.26 -2.12 118.70 115.40 2kt8 s GLU 40 Ca 0.25 -1.13 -0.02 0.00 -0.15 0.00 0.00 54.97 53.91 2kt8 s GLU 40 Cb -0.00 0.24 0.15 0.00 -0.44 0.00 0.00 34.13 34.08 2kt8 s GLU 40 CO 0.01 -0.15 0.46 -2.00 0.95 0.00 0.00 175.26 174.53 2kt8 s GLU 41 N -3.81 0.43 4.99 -4.83 -6.30 0.30 -4.85 118.70 104.62 2kt8 s GLU 41 Ca 0.06 0.67 0.00 0.00 -2.50 0.00 0.00 54.97 53.20 2kt8 s GLU 41 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 34.13 34.08 2kt8 s GLU 41 CO -0.10 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2kt8 n GLY 42 N 5.39 2.79 1.01 -1.50 0.00 -1.26 -0.80 105.19 110.81 2kt8 n GLY 42 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 8.77 3.00 -2.65 4.61 0.00 -1.26 -4.81 120.51 128.17 2kt8 n ALA 43 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 2kt8 n ALA 43 Cb 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.25 1.18 -0.08 0.00 0.40 0.02 -1.85 117.98 116.39 2kt8 s PHE 44 Ca 0.14 -0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2kt8 s PHE 44 Cb 0.11 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 2kt8 s PHE 44 CO 0.04 0.02 -0.03 0.71 0.70 0.00 0.00 175.22 176.66 2kt8 s TYR 45 N -0.81 3.06 -0.11 0.36 2.02 -0.20 -0.54 117.35 121.13 2kt8 s TYR 45 Ca 0.01 0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 56.63 2kt8 s TYR 45 Cb -0.08 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2kt8 s TYR 45 CO 0.01 0.39 0.53 0.21 -1.57 0.00 0.00 175.55 175.12 2kt8 s LYS 46 N -0.81 4.36 0.11 -0.62 2.20 -0.90 -2.68 119.74 121.41 2kt8 s LYS 46 Ca 0.12 0.55 0.06 0.00 -0.36 0.00 0.00 55.97 56.34 2kt8 s LYS 46 Cb -0.11 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2kt8 s LYS 46 CO 0.02 0.13 -0.15 0.96 -0.36 0.00 0.00 175.35 175.95 2kt8 s ILE 47 N 0.67 1.35 -0.74 5.43 -4.36 -0.71 -3.12 121.20 119.72 2kt8 s ILE 47 Ca 0.29 -1.65 -0.26 0.00 -0.26 0.00 0.00 60.65 58.77 2kt8 s ILE 47 Cb -0.16 -1.47 0.04 0.00 1.25 0.00 0.00 42.46 42.12 2kt8 s ILE 47 CO 0.12 -0.35 1.25 -0.70 0.24 0.00 0.00 174.94 175.50 2kt8 s GLU 48 N -2.46 3.19 0.30 0.37 2.12 -1.08 -1.81 118.70 119.33 2kt8 s GLU 48 Ca 0.07 -0.34 -0.25 0.00 0.36 0.00 0.00 54.97 54.81 2kt8 s GLU 48 Cb -0.06 -4.22 -0.09 0.00 0.26 0.00 0.00 34.13 30.01 2kt8 s GLU 48 CO 0.03 -2.11 0.90 -0.47 -0.54 0.00 0.00 175.26 173.07 2kt8 s TYR 49 N 5.50 3.70 0.25 5.30 5.04 0.15 -4.84 117.35 132.45 2kt8 s TYR 49 Ca 0.34 1.71 -0.06 0.00 -2.44 0.00 0.00 57.07 56.61 2kt8 s TYR 49 Cb -0.09 -2.86 0.45 0.00 0.35 0.00 0.00 41.96 39.81 2kt8 s TYR 49 CO 0.14 0.25 1.64 0.87 -1.34 0.00 0.00 175.55 177.11 2kt8 h LYS 50 N 3.28 0.13 -0.41 4.97 1.57 -2.00 0.12 116.57 124.23 2kt8 h LYS 50 Ca -0.47 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.15 2kt8 h LYS 50 Cb 1.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2kt8 h LYS 50 CO 0.65 0.08 -0.34 0.78 -0.57 0.00 0.00 179.45 180.06 2kt8 h GLY 51 N 0.13 1.04 0.00 3.86 0.00 -2.01 -3.48 103.07 102.61 2kt8 h GLY 51 Ca 0.42 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2kt8 h GLY 51 CO -0.64 0.93 0.00 1.44 0.00 0.00 0.00 176.54 178.27 2kt8 n SER 52 N -4.07 0.00 -3.91 0.19 7.64 0.43 -5.12 113.62 108.79 2kt8 n SER 52 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.57 2kt8 n SER 52 Cb 0.52 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 2kt8 n SER 52 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kt8 s HIS 53 N 2.05 2.01 0.16 1.43 0.09 -1.26 0.32 115.29 120.09 2kt8 s HIS 53 Ca 0.00 -1.40 0.01 0.00 -0.00 0.00 0.00 55.06 53.67 2kt8 s HIS 53 Cb 0.00 -1.44 -0.04 0.00 -0.00 0.00 0.00 32.58 31.10 2kt8 s HIS 53 CO 0.00 -0.70 0.32 0.20 -0.00 0.00 0.00 174.74 174.56 2kt8 s GLY 54 N 1.53 1.79 -0.02 -2.22 0.00 -0.75 -4.79 107.32 102.86 2kt8 s GLY 54 Ca -0.02 -0.94 0.08 0.00 0.00 0.00 0.00 44.72 43.84 2kt8 s GLY 54 CO -0.07 -0.92 -0.25 -0.19 0.00 0.00 0.00 173.10 171.67 2kt8 s TYR 55 N -1.76 2.23 0.06 1.90 1.51 0.11 -1.73 117.35 119.66 2kt8 s TYR 55 Ca 0.36 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 2kt8 s TYR 55 Cb -0.11 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 2kt8 s TYR 55 CO 0.29 -0.04 -0.07 0.14 -1.11 0.00 0.00 175.55 174.75 2kt8 s VAL 56 N -0.58 0.58 0.47 0.71 -7.23 -1.09 -2.15 120.40 111.11 2kt8 s VAL 56 Ca 0.09 -1.30 -0.21 0.00 -1.81 0.00 0.00 61.98 58.76 2kt8 s VAL 56 Cb -0.10 -0.88 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 2kt8 s VAL 56 CO -0.01 -0.51 1.03 0.00 -0.31 0.00 0.00 175.10 175.30 2kt8 s ALA 57 N -1.95 2.91 -0.27 1.32 0.00 -1.26 -1.04 121.76 121.47 2kt8 s ALA 57 Ca -0.04 0.58 0.25 0.00 0.00 0.00 0.00 51.96 52.75 2kt8 s ALA 57 Cb -0.06 -3.24 1.16 0.00 0.00 0.00 0.00 23.12 20.98 2kt8 s ALA 57 CO -0.01 -0.24 1.75 1.57 0.00 0.00 0.00 175.76 178.83 2kt8 h LYS 58 N 1.66 0.00 -0.31 0.00 2.10 -1.70 -2.60 116.57 115.72 2kt8 h LYS 58 Ca -0.49 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.06 2kt8 h LYS 58 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 2kt8 h LYS 58 CO 0.59 0.00 -0.22 1.05 -2.00 0.00 0.00 179.45 178.87 2kt8 h GLU 59 N 0.00 0.60 -0.01 0.07 4.11 -1.91 -2.46 114.58 114.97 2kt8 h GLU 59 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.20 2kt8 h GLU 59 Cb 0.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kt8 h GLU 59 CO 0.00 0.78 -0.09 0.66 0.07 0.00 0.00 179.01 180.43 2kt8 n TYR 60 N -4.13 0.00 -4.56 2.06 4.01 -0.98 -4.82 117.16 108.74 2kt8 n TYR 60 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 2kt8 n TYR 60 Cb 0.41 -0.04 -0.13 0.00 -0.31 0.00 0.00 39.34 39.27 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 -2.17 3.60 0.14 -0.72 -1.09 -0.93 -2.09 121.20 117.95 2kt8 s ILE 61 Ca 0.33 -0.47 0.05 0.00 -2.23 0.00 0.00 60.65 58.33 2kt8 s ILE 61 Cb 0.20 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2kt8 s ILE 61 CO 0.40 0.52 -0.12 -0.75 -1.23 0.00 0.00 174.94 173.76 2kt8 s LYS 62 N 0.15 1.06 0.00 2.79 2.20 -0.88 -4.85 119.74 120.22 2kt8 s LYS 62 Ca -0.03 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.19 2kt8 s LYS 62 Cb -0.14 -0.76 0.00 0.00 -1.51 0.00 0.00 37.83 35.42 2kt8 s LYS 62 CO 0.04 0.12 0.00 -3.47 -0.36 0.00 0.00 175.35 171.67 2kt8 n ASP 63 N 0.06 0.00 -3.78 1.43 -0.08 -1.26 -2.41 116.55 110.51 2kt8 n ASP 63 Ca -0.12 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.87 2kt8 n ASP 63 Cb 0.59 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.06 2kt8 n ASP 63 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2kt8 n ILE 64 N 0.00 -4.25 -3.88 5.18 5.41 -1.26 -4.97 119.36 115.60 2kt8 n ILE 64 Ca 0.00 -0.33 -0.11 0.00 1.00 0.00 0.00 62.75 63.30 2kt8 n ILE 64 Cb 0.00 -3.38 -0.12 0.00 -0.71 0.00 0.00 39.64 35.43 2kt8 n ILE 64 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2kt8 s LYS 65 N -5.56 0.24 0.32 0.38 2.20 -0.68 -4.84 119.74 111.79 2kt8 s LYS 65 Ca 0.20 -0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.37 2kt8 s LYS 65 Cb -0.10 0.10 -0.11 0.00 -1.51 0.00 0.00 37.83 36.22 2kt8 s LYS 65 CO 0.90 -0.05 1.46 0.34 -0.36 0.00 0.00 175.35 177.64 2kt8 s ASP 66 N -0.61 6.52 0.39 1.43 -1.08 -1.26 -2.34 116.67 119.72 2kt8 s ASP 66 Ca -0.07 2.86 -0.25 0.00 -0.52 0.00 0.00 52.55 54.57 2kt8 s ASP 66 Cb -0.04 -2.65 -0.12 0.00 -1.46 0.00 0.00 42.92 38.66 2kt8 s ASP 66 CO 0.00 -0.77 0.92 -1.84 0.52 0.00 0.00 175.17 174.00 2kt8 n GLU 67 N 1.39 1.19 -3.99 4.34 0.28 -1.26 -4.84 120.64 117.76 2kt8 n GLU 67 Ca 0.04 0.43 -0.35 0.00 -0.16 0.00 0.00 57.16 57.12 2kt8 n GLU 67 Cb 0.40 -1.90 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2kt8 s VAL 68 N -1.27 4.87 0.46 3.84 -7.23 -1.26 -5.08 120.40 114.73 2kt8 s VAL 68 Ca 0.62 -0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 60.58 2kt8 s VAL 68 Cb -0.60 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.06 2kt8 s VAL 68 CO 0.57 0.48 1.02 -0.76 -0.31 0.00 0.00 175.10 176.10 2kt8 s LEU 69 N 0.21 3.92 0.43 1.32 1.02 -1.26 -4.96 118.68 119.37 2kt8 s LEU 69 Ca 0.05 1.88 -0.22 0.00 0.02 0.00 0.00 54.13 55.86 2kt8 s LEU 69 Cb -0.12 -4.49 -0.13 0.00 0.02 0.00 0.00 46.19 41.47 2kt8 s LEU 69 CO 0.00 -0.62 0.42 1.21 0.02 0.00 0.00 176.35 177.39 2kt8 n GLU 70 N -0.72 0.42 -2.34 1.70 2.13 -1.26 -4.84 120.64 115.73 2kt8 n GLU 70 Ca 0.08 0.16 -0.42 0.00 0.66 0.00 0.00 57.16 57.63 2kt8 n GLU 70 Cb 0.52 -1.40 -0.03 0.00 0.27 0.00 0.00 31.44 30.81 2kt8 n GLU 70 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kt8 s HIS 71 N -1.55 3.17 0.30 4.31 3.76 -1.26 -4.79 115.29 119.22 2kt8 s HIS 71 Ca 0.63 1.09 -0.20 0.00 -0.15 0.00 0.00 55.06 56.43 2kt8 s HIS 71 Cb -0.59 -3.53 0.03 0.00 1.11 0.00 0.00 32.58 29.60 2kt8 s HIS 71 CO 0.59 -1.78 0.76 -1.58 -0.85 0.00 0.00 174.74 171.89 2kt8 s HIS 72 N 1.78 -0.09 0.31 1.40 2.46 -1.26 -5.00 115.29 114.90 2kt8 s HIS 72 Ca 0.60 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.71 2kt8 s HIS 72 Cb -0.30 0.74 0.51 0.00 -0.13 0.00 0.00 32.58 33.41 2kt8 s HIS 72 CO 0.27 -1.31 1.93 0.45 -2.47 0.00 0.00 174.74 173.61 2kt8 h HIS 73 N 2.00 0.86 -0.64 3.88 3.86 -1.98 -2.12 115.15 121.00 2kt8 h HIS 73 Ca -0.23 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 58.88 2kt8 h HIS 73 Cb 1.25 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 2kt8 h HIS 73 CO 0.72 0.61 0.10 1.25 0.86 0.00 0.00 177.93 181.47 2kt8 h HIS 74 N 0.88 1.12 -3.02 2.45 6.17 -1.96 -3.41 115.15 117.38 2kt8 h HIS 74 Ca 0.22 -0.15 -0.53 0.00 0.71 0.00 0.00 60.37 60.62 2kt8 h HIS 74 Cb 0.05 -0.31 0.02 0.00 2.52 0.00 0.00 27.41 29.70 2kt8 h HIS 74 CO 0.01 0.95 0.71 -1.58 0.71 0.00 0.00 177.93 178.72 2kt8 s HIS 75 N -5.18 3.26 -2.00 5.26 5.04 -0.80 -5.22 115.29 115.65 2kt8 s HIS 75 Ca -0.11 0.98 0.03 0.00 -1.54 0.00 0.00 55.06 54.41 2kt8 s HIS 75 Cb 0.15 -3.66 0.15 0.00 0.04 0.00 0.00 32.58 29.25 2kt8 s HIS 75 CO 0.84 -2.30 0.64 0.72 -2.34 0.00 0.00 174.74 172.30