#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 -4.17 -4.05 0.00 2.13 -1.26 -4.30 120.64 108.99 2kt8 n GLU 2 Ca 0.00 3.20 -0.11 0.00 0.66 0.00 0.00 57.16 60.91 2kt8 n GLU 2 Cb 0.00 -3.93 -0.11 0.00 0.27 0.00 0.00 31.44 27.67 2kt8 n GLU 2 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2kt8 s LYS 3 N -4.91 0.49 -0.25 5.31 1.02 -1.09 -3.52 119.74 116.79 2kt8 s LYS 3 Ca 0.00 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.19 2kt8 s LYS 3 Cb 0.00 -0.12 0.04 0.00 -0.52 0.00 0.00 37.83 37.23 2kt8 s LYS 3 CO 0.00 -0.00 -0.09 0.95 -0.92 0.00 0.00 175.35 175.29 2kt8 s THR 4 N -1.80 2.59 -0.18 2.17 -4.23 -0.60 0.26 115.64 113.86 2kt8 s THR 4 Ca -0.09 -1.21 -0.08 0.00 -1.18 0.00 0.00 61.69 59.14 2kt8 s THR 4 Cb -0.07 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 2kt8 s THR 4 CO -0.01 0.15 0.07 -0.83 -0.54 0.00 0.00 174.62 173.47 2kt8 s GLY 5 N 1.25 1.94 -0.12 3.99 0.00 -1.01 -2.70 107.32 110.67 2kt8 s GLY 5 Ca -0.02 -0.73 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 2kt8 s GLY 5 CO -0.05 0.03 0.67 -0.42 0.00 0.00 0.00 173.10 173.33 2kt8 s ILE 6 N 0.26 5.04 0.10 0.90 -1.09 -0.97 -2.67 121.20 122.76 2kt8 s ILE 6 Ca 0.05 1.35 -0.31 0.00 -2.23 0.00 0.00 60.65 59.51 2kt8 s ILE 6 Cb -0.12 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 2kt8 s ILE 6 CO -0.00 0.20 1.28 -0.69 -1.23 0.00 0.00 174.94 174.49 2kt8 s VAL 7 N 1.21 3.69 -0.31 2.92 1.01 -1.03 -2.43 120.40 125.45 2kt8 s VAL 7 Ca 0.34 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2kt8 s VAL 7 Cb -0.17 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.52 2kt8 s VAL 7 CO 0.15 0.11 0.04 0.21 0.00 0.00 0.00 175.10 175.60 2kt8 s ASN 8 N 0.98 4.47 0.08 3.32 2.47 0.59 -1.77 114.94 125.07 2kt8 s ASN 8 Ca 0.60 -1.87 -0.10 0.00 0.42 0.00 0.00 52.86 51.91 2kt8 s ASN 8 Cb -0.33 -1.40 0.01 0.00 -1.45 0.00 0.00 41.25 38.08 2kt8 s ASN 8 CO 0.30 -0.36 0.23 0.68 -3.72 0.00 0.00 177.10 174.24 2kt8 s VAL 9 N 1.14 0.12 -0.51 -5.21 -7.23 -1.26 -4.63 120.40 102.82 2kt8 s VAL 9 Ca 0.07 -0.97 0.24 0.00 -1.81 0.00 0.00 61.98 59.50 2kt8 s VAL 9 Cb -0.19 -1.17 0.06 0.00 0.56 0.00 0.00 36.38 35.65 2kt8 s VAL 9 CO -0.12 -0.54 1.28 0.28 -0.31 0.00 0.00 175.10 175.69 2kt8 h SER 10 N 2.91 0.00 -1.35 4.85 0.02 -2.02 -3.43 113.55 114.53 2kt8 h SER 10 Ca -0.33 -0.13 -0.20 0.00 -0.84 0.00 0.00 61.79 60.29 2kt8 h SER 10 Cb 1.20 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.51 2kt8 h SER 10 CO 0.52 0.06 -0.56 -0.44 -1.14 0.00 0.00 176.83 175.28 2kt8 s SER 11 N -4.73 -0.57 0.11 3.07 0.01 -1.26 -5.07 113.70 105.27 2kt8 s SER 11 Ca 0.04 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.99 2kt8 s SER 11 Cb 0.12 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.76 2kt8 s SER 11 CO 0.73 -0.17 0.00 -1.20 0.41 0.00 0.00 173.24 173.01 2kt8 n SER 12 N 4.02 -2.93 -3.74 2.44 7.64 -1.26 -4.90 113.62 114.89 2kt8 n SER 12 Ca 0.13 0.53 -0.13 0.00 1.01 0.00 0.00 58.87 60.41 2kt8 n SER 12 Cb 0.53 -1.82 -0.14 0.00 -1.01 0.00 0.00 64.21 61.77 2kt8 n SER 12 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kt8 s LEU 13 N 0.00 0.65 0.02 -3.43 2.96 0.91 -4.80 118.68 114.99 2kt8 s LEU 13 Ca 0.00 0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 54.02 2kt8 s LEU 13 Cb 0.00 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 47.14 2kt8 s LEU 13 CO 0.00 -0.15 0.83 0.54 -1.32 0.00 0.00 176.35 176.25 2kt8 s ASN 14 N 1.15 7.24 0.03 3.68 4.22 -1.26 0.01 114.94 130.01 2kt8 s ASN 14 Ca -0.09 1.49 -0.29 0.00 -2.14 0.00 0.00 52.86 51.84 2kt8 s ASN 14 Cb -0.11 -2.50 -0.04 0.00 1.28 0.00 0.00 41.25 39.88 2kt8 s ASN 14 CO -0.07 -0.10 0.92 -0.69 -2.04 0.00 0.00 177.10 175.13 2kt8 s VAL 15 N 0.41 4.75 -0.13 3.54 1.01 0.04 -4.93 120.40 125.10 2kt8 s VAL 15 Ca 0.43 1.96 -0.04 0.00 0.00 0.00 0.00 61.98 64.33 2kt8 s VAL 15 Cb -0.20 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2kt8 s VAL 15 CO 0.24 0.24 0.01 -0.13 0.00 0.00 0.00 175.10 175.46 2kt8 s ARG 16 N 0.54 3.41 -1.12 2.72 0.52 -1.07 -3.26 118.95 120.70 2kt8 s ARG 16 Ca 0.47 -0.41 -0.08 0.00 -0.52 0.00 0.00 55.73 55.20 2kt8 s ARG 16 Cb -0.21 -2.94 0.28 0.00 0.52 0.00 0.00 34.95 32.60 2kt8 s ARG 16 CO 0.27 0.49 1.23 -1.91 0.02 0.00 0.00 175.30 175.40 2kt8 n GLU 17 N 2.80 3.78 0.00 3.54 2.13 -0.39 0.34 120.64 132.85 2kt8 n GLU 17 Ca -0.18 -4.45 0.00 0.00 0.66 0.00 0.00 57.16 53.19 2kt8 n GLU 17 Cb 0.53 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.68 2kt8 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kt8 n GLY 18 N 2.38 2.51 0.50 8.31 0.00 -1.26 -4.26 105.19 113.37 2kt8 n GLY 18 Ca 0.25 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.53 2.52 -1.65 4.61 0.00 -1.26 -4.66 120.51 118.54 2kt8 n ALA 19 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 2kt8 n ALA 19 Cb 0.00 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.51 5.73 0.39 0.00 0.01 -1.26 -4.94 113.70 112.11 2kt8 s SER 20 Ca 0.31 1.76 0.13 0.00 1.31 0.00 0.00 55.95 59.45 2kt8 s SER 20 Cb 0.16 -2.52 0.77 0.00 0.21 0.00 0.00 66.02 64.64 2kt8 s SER 20 CO 0.25 -1.20 1.86 0.71 0.41 0.00 0.00 173.24 175.26 2kt8 h THR 21 N 0.19 1.24 -2.04 1.44 1.35 -2.03 -3.32 112.91 109.75 2kt8 h THR 21 Ca -0.46 -1.16 -0.56 0.00 -0.55 0.00 0.00 66.41 63.69 2kt8 h THR 21 Cb 1.22 1.63 -0.40 0.00 -1.73 0.00 0.00 68.15 68.86 2kt8 h THR 21 CO 0.57 0.33 -1.04 -0.24 -0.25 0.00 0.00 175.52 174.90 2kt8 n SER 22 N -4.13 0.90 -4.36 5.36 2.88 -1.26 -5.10 113.62 107.90 2kt8 n SER 22 Ca -0.02 -2.87 -0.28 0.00 -1.33 0.00 0.00 58.87 54.37 2kt8 n SER 22 Cb 0.38 -0.64 0.15 0.00 -0.75 0.00 0.00 64.21 63.35 2kt8 n SER 22 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2kt8 s SER 23 N -1.61 3.59 0.21 -3.46 1.04 -1.25 -4.98 113.70 107.25 2kt8 s SER 23 Ca 0.37 0.19 -0.32 0.00 0.48 0.00 0.00 55.95 56.67 2kt8 s SER 23 Cb 0.20 -0.38 -0.13 0.00 0.10 0.00 0.00 66.02 65.81 2kt8 s SER 23 CO -0.09 -2.41 1.66 1.17 0.98 0.00 0.00 173.24 174.54 2kt8 n LYS 24 N -3.48 2.58 -2.92 4.02 4.81 -1.26 -4.55 118.16 117.36 2kt8 n LYS 24 Ca 0.14 0.93 -0.41 0.00 -0.87 0.00 0.00 58.31 58.10 2kt8 n LYS 24 Cb 0.60 -2.74 -0.04 0.00 0.02 0.00 0.00 35.03 32.87 2kt8 n LYS 24 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2kt8 s VAL 25 N 0.90 4.97 -0.36 3.15 1.01 -1.26 -1.26 120.40 127.56 2kt8 s VAL 25 Ca 0.74 1.66 0.05 0.00 0.00 0.00 0.00 61.98 64.42 2kt8 s VAL 25 Cb -0.55 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 2kt8 s VAL 25 CO 0.36 0.20 0.36 2.30 0.00 0.00 0.00 175.10 178.31 2kt8 n ILE 26 N 3.94 0.00 -3.56 2.22 -5.35 -1.20 -4.99 119.36 110.42 2kt8 n ILE 26 Ca 0.02 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2kt8 n ILE 26 Cb 0.51 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 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 0.81 -1.01 3.29 3.28 0.00 -1.26 -5.03 105.19 105.27 2kt8 n GLY 27 Ca 0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2kt8 n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kt8 s SER 28 N -4.00 -0.23 0.11 1.61 0.15 -1.26 -0.78 113.70 109.30 2kt8 s SER 28 Ca 0.00 -0.02 0.09 0.00 0.70 0.00 0.00 55.95 56.72 2kt8 s SER 28 Cb 0.00 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2kt8 s SER 28 CO 0.00 -0.61 -0.23 -0.76 1.20 0.00 0.00 173.24 172.84 2kt8 s LEU 29 N -1.88 2.30 0.71 3.45 1.43 0.10 -4.91 118.68 119.89 2kt8 s LEU 29 Ca -0.07 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 2kt8 s LEU 29 Cb -0.01 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.22 2kt8 s LEU 29 CO -0.01 0.11 1.07 -0.94 0.23 0.00 0.00 176.35 176.80 2kt8 s SER 30 N -1.93 5.22 0.69 2.29 1.04 -1.26 -0.06 113.70 119.69 2kt8 s SER 30 Ca 0.09 1.59 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 2kt8 s SER 30 Cb -0.10 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.60 2kt8 s SER 30 CO 0.05 -1.54 1.12 -0.83 0.98 0.00 0.00 173.24 173.02 2kt8 s GLY 31 N -3.79 2.10 -1.53 7.32 0.00 -1.26 -3.31 107.32 106.85 2kt8 s GLY 31 Ca 0.59 0.55 -0.05 0.00 0.00 0.00 0.00 44.72 45.81 2kt8 s GLY 31 CO 0.55 0.91 0.53 -2.01 0.00 0.00 0.00 173.10 173.08 2kt8 n ASN 32 N -2.65 -5.73 -4.63 1.64 2.85 -0.73 -4.96 115.26 101.05 2kt8 n ASN 32 Ca 0.11 -0.27 -0.35 0.00 -0.11 0.00 0.00 54.58 53.95 2kt8 n ASN 32 Cb 0.52 -4.65 -0.10 0.00 1.24 0.00 0.00 39.78 36.79 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kt8 s THR 33 N -3.12 4.98 0.04 -0.44 2.01 -1.21 -4.81 115.64 113.09 2kt8 s THR 33 Ca 0.29 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2kt8 s THR 33 Cb -0.13 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2kt8 s THR 33 CO 0.36 0.41 1.09 -0.75 -0.69 0.00 0.00 174.62 175.03 2kt8 s LYS 34 N 0.74 4.50 -0.06 4.92 2.20 -1.26 -2.46 119.74 128.33 2kt8 s LYS 34 Ca 0.05 1.60 0.02 0.00 -0.36 0.00 0.00 55.97 57.29 2kt8 s LYS 34 Cb -0.13 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2kt8 s LYS 34 CO 0.02 -0.14 -0.11 0.14 -0.36 0.00 0.00 175.35 174.90 2kt8 s VAL 35 N 0.96 1.01 0.13 4.02 -7.23 -1.09 -5.01 120.40 113.18 2kt8 s VAL 35 Ca 0.55 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 2kt8 s VAL 35 Cb -0.25 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.69 2kt8 s VAL 35 CO 0.29 0.32 1.06 0.42 -0.31 0.00 0.00 175.10 176.88 2kt8 s THR 36 N 0.62 4.17 -0.19 5.32 -4.23 -1.26 -2.41 115.64 117.66 2kt8 s THR 36 Ca -0.12 1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 62.11 2kt8 s THR 36 Cb -0.15 -4.14 -0.03 0.00 1.34 0.00 0.00 72.50 69.52 2kt8 s THR 36 CO 0.03 0.26 0.03 -0.63 -0.54 0.00 0.00 174.62 173.77 2kt8 s ILE 37 N 0.09 4.35 -1.11 2.99 1.01 0.14 -2.55 121.20 126.12 2kt8 s ILE 37 Ca 0.50 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 61.06 2kt8 s ILE 37 Cb -0.27 -2.96 0.06 0.00 0.01 0.00 0.00 42.46 39.30 2kt8 s ILE 37 CO 0.32 0.45 0.76 1.33 0.00 0.00 0.00 174.94 177.79 2kt8 n VAL 38 N 3.85 0.00 -3.71 2.92 0.24 -1.23 -2.65 118.33 117.74 2kt8 n VAL 38 Ca -0.17 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2kt8 n VAL 38 Cb 0.52 1.18 -0.00 0.00 -1.47 0.00 0.00 33.84 34.07 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 -0.90 -0.29 0.02 7.63 0.00 -1.26 -5.04 107.32 107.48 2kt8 s GLY 39 Ca 0.10 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.23 2kt8 s GLY 39 CO 0.14 0.91 -0.05 1.85 0.00 0.00 0.00 173.10 175.96 2kt8 s GLU 40 N -2.55 0.35 -0.20 2.90 -6.30 -1.26 -2.31 118.70 109.32 2kt8 s GLU 40 Ca 0.16 -0.49 -0.04 0.00 -2.50 0.00 0.00 54.97 52.10 2kt8 s GLU 40 Cb 0.02 -0.13 0.09 0.00 0.00 0.00 0.00 34.13 34.11 2kt8 s GLU 40 CO -0.01 0.02 0.20 -1.21 0.02 0.00 0.00 175.26 174.27 2kt8 s GLU 41 N -1.03 0.17 5.27 4.30 0.41 -0.17 -4.94 118.70 122.71 2kt8 s GLU 41 Ca -0.08 0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.59 2kt8 s GLU 41 Cb -0.07 -1.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.96 2kt8 s GLU 41 CO -0.00 -0.68 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 2kt8 n GLY 42 N 5.31 2.96 1.59 -1.39 0.00 -1.26 -0.83 105.19 111.57 2kt8 n GLY 42 Ca -0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 9.37 4.02 -2.75 4.61 0.00 -1.26 -4.83 120.51 129.66 2kt8 n ALA 43 Ca 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 53.44 51.91 2kt8 n ALA 43 Cb 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.56 0.70 -0.07 0.00 0.08 -0.01 -2.67 117.98 114.45 2kt8 s PHE 44 Ca 0.27 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 57.07 2kt8 s PHE 44 Cb 0.23 -0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 42.21 2kt8 s PHE 44 CO 0.05 -0.02 -0.03 0.71 -0.10 0.00 0.00 175.22 175.82 2kt8 s TYR 45 N -0.57 3.04 0.07 0.36 2.02 -0.12 -1.00 117.35 121.14 2kt8 s TYR 45 Ca -0.01 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.67 2kt8 s TYR 45 Cb -0.05 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.71 2kt8 s TYR 45 CO 0.00 0.40 0.42 0.15 -1.57 0.00 0.00 175.55 174.95 2kt8 s LYS 46 N -0.91 3.82 0.08 -0.62 1.02 -0.98 -2.18 119.74 119.96 2kt8 s LYS 46 Ca 0.13 0.26 0.04 0.00 0.02 0.00 0.00 55.97 56.42 2kt8 s LYS 46 Cb -0.11 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2kt8 s LYS 46 CO 0.03 0.58 -0.11 0.96 -0.92 0.00 0.00 175.35 175.89 2kt8 s ILE 47 N -1.33 0.90 -0.86 2.17 -4.36 -0.72 -3.52 121.20 113.47 2kt8 s ILE 47 Ca 0.31 -1.40 -0.25 0.00 -0.26 0.00 0.00 60.65 59.05 2kt8 s ILE 47 Cb -0.15 -1.09 0.01 0.00 1.25 0.00 0.00 42.46 42.48 2kt8 s ILE 47 CO 0.17 -0.41 1.62 -0.70 0.24 0.00 0.00 174.94 175.86 2kt8 s GLU 48 N -2.17 3.06 -0.04 0.37 2.12 -1.06 -2.30 118.70 118.69 2kt8 s GLU 48 Ca -0.01 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.92 2kt8 s GLU 48 Cb -0.07 -4.87 -0.03 0.00 0.26 0.00 0.00 34.13 29.42 2kt8 s GLU 48 CO 0.01 -2.61 -0.03 -0.47 -0.54 0.00 0.00 175.26 171.62 2kt8 s TYR 49 N 7.24 3.03 -0.10 5.30 5.04 -0.89 -4.91 117.35 132.06 2kt8 s TYR 49 Ca 0.54 0.07 -0.34 0.00 -2.44 0.00 0.00 57.07 54.90 2kt8 s TYR 49 Cb -0.06 -1.70 -0.12 0.00 0.35 0.00 0.00 41.96 40.44 2kt8 s TYR 49 CO 0.03 0.42 1.90 0.36 -1.34 0.00 0.00 175.55 176.91 2kt8 n LYS 50 N 1.80 2.15 0.00 4.97 2.85 -1.26 -1.62 118.16 127.04 2kt8 n LYS 50 Ca -0.16 0.78 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 2kt8 n LYS 50 Cb 0.53 -2.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 2kt8 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kt8 n GLY 51 N 4.49 3.19 0.00 2.58 0.00 -1.26 -4.99 105.19 109.19 2kt8 n GLY 51 Ca 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2kt8 n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kt8 n SER 52 N 0.84 0.00 -4.59 1.61 7.64 -0.64 -5.13 113.62 113.35 2kt8 n SER 52 Ca 0.00 -0.24 -0.38 0.00 1.01 0.00 0.00 58.87 59.26 2kt8 n SER 52 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.51 3.22 0.28 1.43 0.09 -1.26 -2.09 115.29 113.46 2kt8 s HIS 53 Ca 0.00 0.11 -0.22 0.00 -0.00 0.00 0.00 55.06 54.95 2kt8 s HIS 53 Cb 0.00 -2.37 -0.09 0.00 -0.00 0.00 0.00 32.58 30.12 2kt8 s HIS 53 CO 0.00 -0.15 0.83 0.20 -0.00 0.00 0.00 174.74 175.61 2kt8 s GLY 54 N 1.73 2.65 -0.10 -2.22 0.00 -0.97 -4.74 107.32 103.67 2kt8 s GLY 54 Ca 0.07 0.32 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 2kt8 s GLY 54 CO 0.11 0.69 -0.03 -0.19 0.00 0.00 0.00 173.10 173.68 2kt8 s TYR 55 N -1.64 3.05 0.00 1.90 1.51 0.15 -1.76 117.35 120.57 2kt8 s TYR 55 Ca 0.48 0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.55 2kt8 s TYR 55 Cb -0.16 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 2kt8 s TYR 55 CO 0.21 0.29 0.01 0.14 -1.11 0.00 0.00 175.55 175.10 2kt8 s VAL 56 N -0.53 0.04 0.50 0.71 -7.23 -0.93 -2.58 120.40 110.38 2kt8 s VAL 56 Ca 0.08 -0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 59.68 2kt8 s VAL 56 Cb -0.12 -0.14 -0.06 0.00 0.56 0.00 0.00 36.38 36.62 2kt8 s VAL 56 CO 0.02 -0.19 1.23 0.00 -0.31 0.00 0.00 175.10 175.84 2kt8 s ALA 57 N -0.57 2.89 0.35 1.32 0.00 -1.26 -0.95 121.76 123.54 2kt8 s ALA 57 Ca -0.06 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.00 2kt8 s ALA 57 Cb -0.04 -3.44 0.66 0.00 0.00 0.00 0.00 23.12 20.30 2kt8 s ALA 57 CO -0.00 -0.91 1.92 0.87 0.00 0.00 0.00 175.76 177.63 2kt8 h LYS 58 N 1.76 0.54 -0.91 0.00 1.57 -1.87 -2.47 116.57 115.19 2kt8 h LYS 58 Ca -0.50 -0.09 0.22 0.00 -1.87 0.00 0.00 60.65 58.41 2kt8 h LYS 58 Cb 1.27 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.43 2kt8 h LYS 58 CO 0.59 0.51 0.61 0.93 -0.57 0.00 0.00 179.45 181.52 2kt8 h GLU 59 N 0.52 0.29 -0.04 3.15 5.08 -1.91 0.79 114.58 122.47 2kt8 h GLU 59 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2kt8 h GLU 59 Cb 0.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kt8 h GLU 59 CO -0.00 0.19 0.00 0.66 -1.00 0.00 0.00 179.01 178.86 2kt8 n TYR 60 N -4.46 0.03 -4.16 4.33 4.01 -0.93 -4.81 117.16 111.18 2kt8 n TYR 60 Ca 0.20 -0.02 -0.35 0.00 -0.16 0.00 0.00 57.90 57.57 2kt8 n TYR 60 Cb 0.78 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.97 3.91 0.13 -0.72 -1.09 0.27 -0.30 121.20 121.44 2kt8 s ILE 61 Ca 0.37 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.39 2kt8 s ILE 61 Cb 0.20 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 2kt8 s ILE 61 CO 0.32 0.45 0.21 -1.59 -1.23 0.00 0.00 174.94 173.10 2kt8 s LYS 62 N 0.84 1.01 -1.15 2.79 -2.85 -1.02 -4.94 119.74 114.42 2kt8 s LYS 62 Ca 0.00 -1.15 -0.05 0.00 -1.00 0.00 0.00 55.97 53.77 2kt8 s LYS 62 Cb -0.14 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2kt8 s LYS 62 CO 0.02 -0.34 0.90 -0.25 0.10 0.00 0.00 175.35 175.78 2kt8 n ASP 63 N -0.14 -4.07 -4.69 0.03 8.00 -1.26 -2.30 116.55 112.12 2kt8 n ASP 63 Ca -0.10 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 2kt8 n ASP 63 Cb 0.63 -4.81 -0.03 0.00 -0.02 0.00 0.00 41.12 36.90 2kt8 n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kt8 s ILE 64 N -3.44 4.32 0.04 0.53 1.01 -1.26 -4.38 121.20 118.02 2kt8 s ILE 64 Ca 0.23 1.64 0.05 0.00 0.00 0.00 0.00 60.65 62.58 2kt8 s ILE 64 Cb -0.04 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2kt8 s ILE 64 CO 0.76 0.03 -0.15 -0.54 0.00 0.00 0.00 174.94 175.04 2kt8 s LYS 65 N 1.95 0.99 -0.53 2.79 1.02 -1.10 -4.98 119.74 119.89 2kt8 s LYS 65 Ca 0.55 -0.79 -0.22 0.00 0.02 0.00 0.00 55.97 55.53 2kt8 s LYS 65 Cb -0.24 -1.02 0.05 0.00 -0.52 0.00 0.00 37.83 36.10 2kt8 s LYS 65 CO 0.23 0.25 0.80 -0.51 -0.92 0.00 0.00 175.35 175.20 2kt8 s ASP 66 N -1.17 6.29 -0.34 2.83 1.01 -1.26 -1.55 116.67 122.48 2kt8 s ASP 66 Ca 0.02 -0.59 -0.26 0.00 0.71 0.00 0.00 52.55 52.43 2kt8 s ASP 66 Cb -0.08 -2.37 0.04 0.00 1.01 0.00 0.00 42.92 41.52 2kt8 s ASP 66 CO 0.01 -1.07 0.47 1.21 0.21 0.00 0.00 175.17 176.00 2kt8 n GLU 67 N 6.87 -1.34 -3.66 8.23 4.07 -1.23 -4.89 120.64 128.69 2kt8 n GLU 67 Ca -0.02 0.96 -0.39 0.00 -0.06 0.00 0.00 57.16 57.66 2kt8 n GLU 67 Cb 0.47 -1.41 -0.12 0.00 -0.06 0.00 0.00 31.44 30.31 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2kt8 s VAL 68 N -1.15 4.49 -1.64 6.31 0.11 -1.26 -4.92 120.40 122.35 2kt8 s VAL 68 Ca 0.25 -0.55 0.23 0.00 -2.93 0.00 0.00 61.98 58.99 2kt8 s VAL 68 Cb -0.03 -3.34 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 2kt8 s VAL 68 CO 0.62 0.01 1.14 0.18 -3.33 0.00 0.00 175.10 173.73 2kt8 n LEU 69 N 4.97 1.47 -2.96 2.54 7.99 -1.26 -5.01 117.00 124.73 2kt8 n LEU 69 Ca -0.14 -0.55 -0.10 0.00 -0.01 0.00 0.00 56.01 55.22 2kt8 n LEU 69 Cb 0.48 -0.04 0.01 0.00 -0.11 0.00 0.00 43.42 43.76 2kt8 n LEU 69 CO 0.34 0.29 0.06 1.21 -1.51 0.00 0.00 177.39 177.79 2kt8 n GLU 70 N -0.63 -2.16 -2.86 3.23 4.07 -1.26 -4.96 120.64 116.08 2kt8 n GLU 70 Ca 0.08 1.94 -0.36 0.00 -0.06 0.00 0.00 57.16 58.76 2kt8 n GLU 70 Cb 0.40 -5.32 -0.06 0.00 -0.06 0.00 0.00 31.44 26.40 2kt8 n GLU 70 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2kt8 s HIS 71 N -2.58 3.61 -0.30 4.31 3.76 -1.26 -4.42 115.29 118.41 2kt8 s HIS 71 Ca 0.22 1.67 -0.27 0.00 -0.15 0.00 0.00 55.06 56.53 2kt8 s HIS 71 Cb -0.05 -2.84 0.04 0.00 1.11 0.00 0.00 32.58 30.83 2kt8 s HIS 71 CO 0.78 0.18 0.45 0.72 -0.85 0.00 0.00 174.74 176.01 2kt8 n HIS 72 N 0.37 -1.79 0.47 1.40 8.25 -1.26 -4.85 115.22 117.81 2kt8 n HIS 72 Ca 0.02 0.75 0.12 0.00 -0.26 0.00 0.00 57.72 58.35 2kt8 n HIS 72 Cb 0.51 -1.48 0.18 0.00 1.12 0.00 0.00 29.99 30.32 2kt8 n HIS 72 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2kt8 h HIS 73 N 2.57 0.00 -0.32 4.41 -0.00 -1.95 -3.33 115.15 116.53 2kt8 h HIS 73 Ca -0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 59.93 2kt8 h HIS 73 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.67 2kt8 h HIS 73 CO 0.00 0.00 -0.01 1.25 -0.00 0.00 0.00 177.93 179.17 2kt8 h HIS 74 N 0.00 0.63 -3.84 6.12 2.76 -1.97 -3.42 115.15 115.43 2kt8 h HIS 74 Ca 0.00 -0.11 -0.48 0.00 -2.20 0.00 0.00 60.37 57.58 2kt8 h HIS 74 Cb 0.81 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 2kt8 h HIS 74 CO 0.00 0.70 0.36 -1.01 -1.30 0.00 0.00 177.93 176.68 2kt8 s HIS 75 N -4.97 3.77 -0.95 5.26 3.76 -1.25 -5.30 115.29 115.61 2kt8 s HIS 75 Ca -0.13 1.82 0.00 0.00 -0.15 0.00 0.00 55.06 56.60 2kt8 s HIS 75 Cb 0.09 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.80 2kt8 s HIS 75 CO 0.77 0.22 0.24 -2.39 -0.85 0.00 0.00 174.74 172.73