#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcc s GLU 2 N 0.00 2.13 -0.29 0.03 8.01 -1.26 -5.08 118.70 122.24 2kcc s GLU 2 Ca 0.00 -1.07 -0.17 0.00 0.01 0.00 0.00 54.97 53.74 2kcc s GLU 2 Cb 0.00 -2.65 0.17 0.00 -4.31 0.00 0.00 34.13 27.34 2kcc s GLU 2 CO 0.00 -0.49 1.13 1.21 0.01 0.00 0.00 175.26 177.12 2kcc s ASN 3 N 1.27 -0.29 0.18 -0.19 3.04 -1.26 -5.16 114.94 112.53 2kcc s ASN 3 Ca -0.04 0.48 -0.21 0.00 0.04 0.00 0.00 52.86 53.12 2kcc s ASN 3 Cb -0.18 1.02 0.05 0.00 -1.54 0.00 0.00 41.25 40.60 2kcc s ASN 3 CO -0.07 -0.08 0.59 -1.81 -3.04 0.00 0.00 177.10 172.69 2kcc s ASP 4 N 1.03 -0.44 0.43 -4.21 1.01 -1.26 -5.04 116.67 108.19 2kcc s ASP 4 Ca -0.06 -0.20 0.24 0.00 0.71 0.00 0.00 52.55 53.23 2kcc s ASP 4 Cb -0.03 0.60 0.77 0.00 1.01 0.00 0.00 42.92 45.27 2kcc s ASP 4 CO -0.12 -1.03 1.76 1.55 0.21 0.00 0.00 175.17 177.53 2kcc h PRO 5 N 2.07 0.00 -1.70 8.23 0.13 -2.03 -3.25 132.00 135.45 2kcc h PRO 5 Ca -0.31 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.41 2kcc h PRO 5 Cb 1.29 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.26 2kcc h PRO 5 CO 0.36 0.21 0.42 0.25 -0.23 0.00 0.00 178.00 179.01 2kcc n THR 6 N -3.28 3.06 -3.96 1.56 -2.24 -1.26 -4.87 114.28 103.29 2kcc n THR 6 Ca 0.01 -2.29 -0.08 0.00 -2.27 0.00 0.00 64.05 59.42 2kcc n THR 6 Cb 0.47 -1.44 -0.03 0.00 -2.10 0.00 0.00 70.33 67.23 2kcc n THR 6 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2kcc n VAL 7 N 0.53 0.00 -3.77 2.28 0.24 -1.23 -1.90 118.33 114.48 2kcc n VAL 7 Ca 0.40 -0.99 -0.13 0.00 -2.04 0.00 0.00 64.34 61.58 2kcc n VAL 7 Cb 0.57 0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 33.39 2kcc n VAL 7 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2kcc s LEU 8 N 0.00 0.84 -0.09 1.34 1.98 -0.92 -4.26 118.68 117.57 2kcc s LEU 8 Ca 0.16 0.47 -0.10 0.00 -2.89 0.00 0.00 54.13 51.77 2kcc s LEU 8 Cb 0.00 1.11 0.03 0.00 0.66 0.00 0.00 46.19 47.99 2kcc s LEU 8 CO 0.12 -0.20 0.28 -0.13 -1.89 0.00 0.00 176.35 174.52 2kcc s ARG 9 N -0.26 0.39 0.48 1.98 0.52 -1.26 -2.98 118.95 117.82 2kcc s ARG 9 Ca -0.04 0.27 -0.22 0.00 -0.52 0.00 0.00 55.73 55.22 2kcc s ARG 9 Cb -0.03 0.18 -0.07 0.00 0.52 0.00 0.00 34.95 35.55 2kcc s ARG 9 CO 0.01 -0.06 1.17 -1.12 0.02 0.00 0.00 175.30 175.32 2kcc s SER 10 N -0.14 6.03 0.31 0.23 0.01 -1.12 -4.89 113.70 114.13 2kcc s SER 10 Ca -0.03 2.32 0.15 0.00 1.31 0.00 0.00 55.95 59.70 2kcc s SER 10 Cb -0.03 -2.60 0.43 0.00 0.21 0.00 0.00 66.02 64.03 2kcc s SER 10 CO 0.01 -1.02 1.62 1.55 0.41 0.00 0.00 173.24 175.81 2kcc h PRO 11 N 1.86 0.00 -3.56 12.44 0.13 -1.94 -2.96 132.00 137.98 2kcc h PRO 11 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2kcc h PRO 11 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 2kcc h PRO 11 CO 0.59 0.51 -0.05 -1.54 -0.23 0.00 0.00 178.00 177.28 2kcc s SER 12 N -6.57 -0.05 -0.50 1.44 1.04 -1.26 -4.70 113.70 103.11 2kcc s SER 12 Ca 0.00 -0.93 -0.28 0.00 0.48 0.00 0.00 55.95 55.22 2kcc s SER 12 Cb 0.11 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.87 2kcc s SER 12 CO 0.73 -1.21 1.40 0.00 0.98 0.00 0.00 173.24 175.14 2kcc s ALA 13 N -3.86 2.92 0.00 5.32 0.00 -1.26 -3.64 121.76 121.24 2kcc s ALA 13 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2kcc s ALA 13 Cb -0.02 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2kcc s ALA 13 CO 0.10 -2.69 0.00 0.41 0.00 0.00 0.00 175.76 173.57 2kcc n GLY 14 N 5.17 3.58 3.63 0.00 0.00 0.15 -4.67 105.19 113.06 2kcc n GLY 14 Ca 0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 2kcc n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kcc s LYS 15 N 4.11 0.74 -0.67 1.61 2.36 -1.19 -1.56 119.74 125.13 2kcc s LYS 15 Ca 0.00 0.89 -0.26 0.00 -2.55 0.00 0.00 55.97 54.05 2kcc s LYS 15 Cb 0.00 0.36 -0.04 0.00 -1.05 0.00 0.00 37.83 37.10 2kcc s LYS 15 CO 0.00 -0.09 2.00 -1.17 1.55 0.00 0.00 175.35 177.64 2kcc s LEU 16 N 0.36 3.25 0.05 5.43 2.96 -0.85 -0.32 118.68 129.57 2kcc s LEU 16 Ca 0.01 0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.95 2kcc s LEU 16 Cb -0.05 -2.53 -0.23 0.00 0.50 0.00 0.00 46.19 43.87 2kcc s LEU 16 CO -0.01 -2.64 1.16 0.00 -1.32 0.00 0.00 176.35 173.53 2kcc h THR 17 N 7.15 1.32 -0.79 3.68 1.03 -1.87 -3.30 112.91 120.13 2kcc h THR 17 Ca -0.16 -2.20 0.00 0.00 -0.01 0.00 0.00 66.41 64.05 2kcc h THR 17 Cb 1.13 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 70.67 2kcc h THR 17 CO 1.19 0.67 0.00 1.67 -0.01 0.00 0.00 175.52 179.04 2kcc n GLN 18 N -3.97 0.00 -3.74 0.00 7.27 -1.25 -4.98 117.38 110.72 2kcc n GLN 18 Ca -0.11 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.84 2kcc n GLN 18 Cb 0.82 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.36 2kcc n GLN 18 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2kcc s TYR 19 N -3.20 -0.44 -0.66 3.69 -0.85 -1.26 -2.92 117.35 111.70 2kcc s TYR 19 Ca 0.00 1.04 0.23 0.00 -0.52 0.00 0.00 57.07 57.81 2kcc s TYR 19 Cb 0.00 0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.51 2kcc s TYR 19 CO 0.00 -0.22 1.00 0.25 -1.52 0.00 0.00 175.55 175.05 2kcc n THR 20 N 3.19 0.12 -3.76 -3.49 -2.24 -1.15 -4.90 114.28 102.06 2kcc n THR 20 Ca -0.16 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2kcc n THR 20 Cb 0.57 0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 2kcc n THR 20 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2kcc s VAL 21 N -3.17 0.01 0.66 2.28 -7.23 -1.16 -4.99 120.40 106.80 2kcc s VAL 21 Ca 0.04 -0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.03 2kcc s VAL 21 Cb 0.15 -0.50 0.17 0.00 0.56 0.00 0.00 36.38 36.75 2kcc s VAL 21 CO 0.81 -0.04 0.54 -1.84 -0.31 0.00 0.00 175.10 174.27 2kcc n GLU 22 N 2.65 -2.38 -1.73 4.82 0.28 -1.26 -4.78 120.64 118.23 2kcc n GLU 22 Ca -0.14 -0.88 -0.42 0.00 -0.16 0.00 0.00 57.16 55.56 2kcc n GLU 22 Cb 0.57 -0.87 -0.02 0.00 1.43 0.00 0.00 31.44 32.55 2kcc n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kcc n ASP 23 N -4.06 3.84 -1.50 -1.84 9.92 -1.26 -1.61 116.55 120.05 2kcc n ASP 23 Ca 0.08 1.12 -0.14 0.00 -0.53 0.00 0.00 54.79 55.31 2kcc n ASP 23 Cb 0.31 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.19 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kcc n GLY 24 N 2.74 0.27 3.62 0.44 0.00 0.22 -4.92 105.19 107.56 2kcc n GLY 24 Ca 0.11 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2kcc n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcc s GLY 25 N -2.49 1.06 0.02 -0.02 0.00 -0.63 -4.51 107.32 100.74 2kcc s GLY 25 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 44.72 45.00 2kcc s GLY 25 CO 0.00 3.23 1.87 -2.38 0.00 0.00 0.00 173.10 175.82 2kcc s HIS 26 N 5.91 1.54 -0.09 1.90 -3.43 -1.26 -2.41 115.29 117.45 2kcc s HIS 26 Ca 0.80 -0.25 -0.06 0.00 -0.80 0.00 0.00 55.06 54.74 2kcc s HIS 26 Cb -0.28 -4.15 0.03 0.00 -1.43 0.00 0.00 32.58 26.76 2kcc s HIS 26 CO 0.32 -5.05 0.23 0.14 -2.00 0.00 0.00 174.74 168.39 2kcc s VAL 27 N 4.20 -0.02 0.64 -5.38 -7.23 -1.07 -4.98 120.40 106.57 2kcc s VAL 27 Ca 0.84 0.08 -0.07 0.00 -1.81 0.00 0.00 61.98 61.01 2kcc s VAL 27 Cb -0.40 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.22 2kcc s VAL 27 CO 0.38 0.03 0.97 -1.83 -0.31 0.00 0.00 175.10 174.34 2kcc s GLU 28 N 0.70 2.70 0.07 4.82 1.03 -1.26 -2.78 118.70 123.99 2kcc s GLU 28 Ca -0.05 0.01 -0.37 0.00 0.03 0.00 0.00 54.97 54.59 2kcc s GLU 28 Cb -0.06 -2.20 -0.17 0.00 -0.80 0.00 0.00 34.13 30.90 2kcc s GLU 28 CO -0.04 -0.91 1.36 0.00 -1.33 0.00 0.00 175.26 174.34 2kcc n ALA 29 N -2.75 -0.92 0.00 -0.84 0.00 -1.22 -0.64 120.51 114.14 2kcc n ALA 29 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kcc n ALA 29 Cb 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2kcc n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kcc n GLY 30 N 2.61 3.13 3.69 0.00 0.00 -0.30 -4.94 105.19 109.37 2kcc n GLY 30 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2kcc n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kcc s SER 31 N -0.05 6.91 0.32 1.61 0.15 0.18 -4.73 113.70 118.10 2kcc s SER 31 Ca 0.00 2.07 -0.29 0.00 0.70 0.00 0.00 55.95 58.43 2kcc s SER 31 Cb 0.00 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 2kcc s SER 31 CO 0.00 -0.66 1.30 -0.94 1.20 0.00 0.00 173.24 174.14 2kcc s SER 32 N 1.62 6.80 -0.04 5.45 1.04 -1.26 -2.54 113.70 124.76 2kcc s SER 32 Ca 0.62 2.66 0.10 0.00 0.48 0.00 0.00 55.95 59.80 2kcc s SER 32 Cb -0.31 -2.65 -0.14 0.00 0.10 0.00 0.00 66.02 63.03 2kcc s SER 32 CO 0.26 -0.52 0.15 0.00 0.98 0.00 0.00 173.24 174.12 2kcc n TYR 33 N 0.92 0.00 -3.60 5.02 0.18 0.29 -4.72 117.16 115.25 2kcc n TYR 33 Ca 0.00 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.71 2kcc n TYR 33 Cb 0.42 -0.32 -0.05 0.00 -0.38 0.00 0.00 39.34 39.01 2kcc n TYR 33 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kcc s ALA 34 N -2.53 -2.00 0.39 -3.48 0.00 -1.11 -2.91 121.76 110.12 2kcc s ALA 34 Ca -0.04 1.70 0.03 0.00 0.00 0.00 0.00 51.96 53.64 2kcc s ALA 34 Cb 0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 2kcc s ALA 34 CO 0.41 -0.29 0.57 -1.21 0.00 0.00 0.00 175.76 175.24 2kcc s GLU 35 N -1.11 3.15 -0.21 0.00 2.02 -1.15 0.98 118.70 122.39 2kcc s GLU 35 Ca 0.02 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 2kcc s GLU 35 Cb -0.01 -2.67 0.10 0.00 0.10 0.00 0.00 34.13 31.65 2kcc s GLU 35 CO -0.02 -0.07 0.42 0.00 0.02 0.00 0.00 175.26 175.61 2kcc s MET 36 N -4.37 0.34 -0.59 1.61 0.23 -0.46 -3.16 119.30 112.91 2kcc s MET 36 Ca 0.45 0.94 -0.21 0.00 -1.03 0.00 0.00 55.69 55.84 2kcc s MET 36 Cb -0.10 0.18 0.07 0.00 -1.53 0.00 0.00 34.83 33.45 2kcc s MET 36 CO 0.35 -0.34 0.83 -2.00 -2.03 0.00 0.00 175.02 171.83 2kcc s GLU 37 N 2.61 3.15 0.49 3.16 -6.30 0.56 -2.88 118.70 119.50 2kcc s GLU 37 Ca 0.02 -0.83 -0.01 0.00 -2.50 0.00 0.00 54.97 51.65 2kcc s GLU 37 Cb -0.13 -4.17 0.00 0.00 0.00 0.00 0.00 34.13 29.84 2kcc s GLU 37 CO -0.14 -1.55 0.73 0.54 0.02 0.00 0.00 175.26 174.86 2kcc s VAL 38 N 3.43 3.78 0.62 3.70 0.11 -1.18 -3.18 120.40 127.69 2kcc s VAL 38 Ca 0.20 -0.40 0.32 0.00 -2.93 0.00 0.00 61.98 59.16 2kcc s VAL 38 Cb -0.18 -3.42 0.36 0.00 -1.53 0.00 0.00 36.38 31.61 2kcc s VAL 38 CO 0.12 -0.33 2.07 0.24 -3.33 0.00 0.00 175.10 173.87 2kcc h MET 39 N 0.24 0.00 0.00 1.54 0.00 -1.94 -3.16 114.93 111.62 2kcc h MET 39 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.24 2kcc h MET 39 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.86 2kcc h MET 39 CO 0.57 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.11 2kcc n LYS 40 N -3.43 0.00 -4.00 1.72 4.01 -1.26 -5.06 118.16 110.15 2kcc n LYS 40 Ca 0.01 0.20 -0.10 0.00 -0.51 0.00 0.00 58.31 57.91 2kcc n LYS 40 Cb 0.34 -0.76 -0.05 0.00 -0.51 0.00 0.00 35.03 34.05 2kcc n LYS 40 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2kcc s MET 41 N -0.58 1.62 0.18 1.97 -2.45 -1.19 -5.15 119.30 113.69 2kcc s MET 41 Ca 0.00 -1.30 -0.30 0.00 -1.25 0.00 0.00 55.69 52.84 2kcc s MET 41 Cb 0.00 0.48 -0.07 0.00 1.25 0.00 0.00 34.83 36.48 2kcc s MET 41 CO 0.00 -0.68 0.94 -1.50 1.05 0.00 0.00 175.02 174.83 2kcc s ILE 42 N -3.85 4.28 0.20 10.11 1.10 -1.26 -3.10 121.20 128.67 2kcc s ILE 42 Ca 0.23 2.07 -0.06 0.00 -0.51 0.00 0.00 60.65 62.37 2kcc s ILE 42 Cb -0.01 -4.32 -0.02 0.00 0.15 0.00 0.00 42.46 38.26 2kcc s ILE 42 CO 0.10 0.41 0.26 0.00 -2.11 0.00 0.00 174.94 173.60 2kcc s MET 43 N -0.62 1.25 -0.06 3.50 0.23 -1.14 -5.01 119.30 117.45 2kcc s MET 43 Ca 0.44 -1.39 0.06 0.00 -1.03 0.00 0.00 55.69 53.77 2kcc s MET 43 Cb -0.25 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.40 2kcc s MET 43 CO 0.31 -0.45 -0.24 0.99 -2.03 0.00 0.00 175.02 173.59 2kcc s THR 44 N -4.06 1.98 0.01 3.16 2.01 -1.26 -1.35 115.64 116.14 2kcc s THR 44 Ca 0.27 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 2kcc s THR 44 Cb 0.04 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.81 2kcc s THR 44 CO 0.07 0.55 0.43 -0.76 -0.69 0.00 0.00 174.62 174.22 2kcc s LEU 45 N -0.10 4.49 0.33 4.42 1.02 0.28 -4.96 118.68 124.15 2kcc s LEU 45 Ca -0.05 1.01 0.03 0.00 0.02 0.00 0.00 54.13 55.14 2kcc s LEU 45 Cb -0.14 -2.63 -0.04 0.00 0.02 0.00 0.00 46.19 43.40 2kcc s LEU 45 CO 0.04 0.32 0.13 0.54 0.02 0.00 0.00 176.35 177.40 2kcc s ASN 46 N -1.08 1.93 0.22 2.29 6.03 -1.26 0.10 114.94 123.17 2kcc s ASN 46 Ca 0.25 -1.55 -0.06 0.00 -1.03 0.00 0.00 52.86 50.46 2kcc s ASN 46 Cb -0.17 0.33 -0.06 0.00 -3.03 0.00 0.00 41.25 38.32 2kcc s ASN 46 CO 0.14 -0.85 0.50 0.68 -2.03 0.00 0.00 177.10 175.54 2kcc s VAL 47 N -3.48 5.04 -0.69 3.54 -7.23 -1.05 -4.84 120.40 111.68 2kcc s VAL 47 Ca 0.33 0.18 0.25 0.00 -1.81 0.00 0.00 61.98 60.93 2kcc s VAL 47 Cb 0.05 -3.66 0.13 0.00 0.56 0.00 0.00 36.38 33.46 2kcc s VAL 47 CO 0.16 -0.13 1.48 0.00 -0.31 0.00 0.00 175.10 176.31 2kcc n GLN 48 N -0.36 0.27 -3.94 4.82 0.00 -1.26 -1.15 117.38 115.75 2kcc n GLN 48 Ca -0.01 0.12 -0.10 0.00 0.00 0.00 0.00 57.00 57.01 2kcc n GLN 48 Cb 0.53 -1.71 -0.02 0.00 0.00 0.00 0.00 30.24 29.03 2kcc n GLN 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2kcc s GLU 49 N -3.14 1.87 0.17 2.61 2.02 -1.26 -4.78 118.70 116.20 2kcc s GLU 49 Ca 0.08 -1.36 -0.31 0.00 0.02 0.00 0.00 54.97 53.40 2kcc s GLU 49 Cb 0.13 0.54 -0.09 0.00 0.10 0.00 0.00 34.13 34.81 2kcc s GLU 49 CO 0.68 -0.83 1.38 1.03 0.02 0.00 0.00 175.26 177.54 2kcc s ARG 50 N -3.30 4.33 0.00 1.61 3.00 -1.26 -3.40 118.95 119.93 2kcc s ARG 50 Ca 0.20 2.13 0.00 0.00 0.00 0.00 0.00 55.73 58.06 2kcc s ARG 50 Cb -0.03 -3.20 0.00 0.00 0.00 0.00 0.00 34.95 31.72 2kcc s ARG 50 CO 0.12 -0.38 0.00 0.41 0.00 0.00 0.00 175.30 175.44 2kcc n GLY 51 N 2.92 1.68 3.69 -3.53 0.00 -1.12 -4.16 105.19 104.68 2kcc n GLY 51 Ca 0.09 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 2kcc n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kcc s ARG 52 N -2.00 4.25 -0.08 1.61 0.52 -0.69 -2.58 118.95 119.98 2kcc s ARG 52 Ca 0.00 0.33 -0.26 0.00 -0.52 0.00 0.00 55.73 55.28 2kcc s ARG 52 Cb 0.00 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2kcc s ARG 52 CO 0.00 0.04 0.83 0.08 0.02 0.00 0.00 175.30 176.27 2kcc s VAL 53 N 1.03 4.94 -0.27 3.52 1.01 -1.01 -1.63 120.40 127.98 2kcc s VAL 53 Ca 0.22 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2kcc s VAL 53 Cb -0.15 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.12 2kcc s VAL 53 CO 0.09 0.15 -0.07 -0.54 0.00 0.00 0.00 175.10 174.73 2kcc s LYS 54 N 1.32 2.47 0.28 2.72 1.02 -1.14 0.71 119.74 127.11 2kcc s LYS 54 Ca 0.42 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 2kcc s LYS 54 Cb -0.18 -2.99 -0.12 0.00 -0.52 0.00 0.00 37.83 34.02 2kcc s LYS 54 CO 0.19 -0.53 1.53 0.66 -0.92 0.00 0.00 175.35 176.28 2kcc n TYR 55 N 4.56 2.64 -0.05 3.18 4.02 -1.26 -1.09 117.16 129.16 2kcc n TYR 55 Ca -0.15 0.31 -0.08 0.00 -0.01 0.00 0.00 57.90 57.98 2kcc n TYR 55 Cb 0.44 -2.55 -0.03 0.00 -0.02 0.00 0.00 39.34 37.18 2kcc n TYR 55 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2kcc n ILE 56 N 2.04 1.34 -1.30 -0.72 -0.00 -1.21 -4.91 119.36 114.60 2kcc n ILE 56 Ca 0.09 0.16 -0.29 0.00 -0.00 0.00 0.00 62.75 62.72 2kcc n ILE 56 Cb 0.35 -2.02 0.18 0.00 -0.00 0.00 0.00 39.64 38.16 2kcc n ILE 56 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2kcc s LYS 57 N -2.54 0.15 0.45 0.38 -0.14 -1.25 -5.04 119.74 111.75 2kcc s LYS 57 Ca -0.19 0.21 -0.00 0.00 -1.36 0.00 0.00 55.97 54.62 2kcc s LYS 57 Cb 0.04 -1.73 -0.01 0.00 -1.68 0.00 0.00 37.83 34.45 2kcc s LYS 57 CO 0.28 -2.85 0.68 1.03 -0.76 0.00 0.00 175.35 173.72 2kcc s ARG 58 N -5.25 3.10 0.14 1.68 0.52 -1.26 -5.04 118.95 112.84 2kcc s ARG 58 Ca 0.67 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.14 2kcc s ARG 58 Cb -0.14 -2.54 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 2kcc s ARG 58 CO 0.56 -0.26 1.46 -1.25 0.02 0.00 0.00 175.30 175.82 2kcc s PRO 59 N -4.57 4.28 0.00 3.54 0.04 -1.26 -2.36 135.00 134.67 2kcc s PRO 59 Ca 0.48 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2kcc s PRO 59 Cb -0.10 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2kcc s PRO 59 CO 0.38 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2kcc n GLY 60 N 3.58 2.34 3.65 0.56 0.00 -1.25 -5.02 105.19 109.05 2kcc n GLY 60 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2kcc n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcc n ALA 61 N -0.88 0.48 -2.61 4.61 0.00 -0.99 -4.43 120.51 116.69 2kcc n ALA 61 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2kcc n ALA 61 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 2kcc n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kcc s VAL 62 N -1.46 4.60 0.19 0.00 1.01 -1.26 -2.00 120.40 121.48 2kcc s VAL 62 Ca 0.76 1.88 -0.25 0.00 0.00 0.00 0.00 61.98 64.37 2kcc s VAL 62 Cb -0.42 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.67 2kcc s VAL 62 CO 0.47 -0.01 0.81 -0.76 0.00 0.00 0.00 175.10 175.60 2kcc s LEU 63 N 2.18 4.56 0.06 3.92 1.02 -0.60 -4.92 118.68 124.90 2kcc s LEU 63 Ca 0.51 1.68 0.09 0.00 0.02 0.00 0.00 54.13 56.43 2kcc s LEU 63 Cb -0.20 -3.43 -0.03 0.00 0.02 0.00 0.00 46.19 42.55 2kcc s LEU 63 CO 0.18 0.16 -0.26 -1.61 0.02 0.00 0.00 176.35 174.85 2kcc s GLU 64 N -1.31 1.68 -0.39 1.70 0.41 -1.26 0.33 118.70 119.86 2kcc s GLU 64 Ca 0.38 -1.13 -0.27 0.00 -0.41 0.00 0.00 54.97 53.55 2kcc s GLU 64 Cb -0.22 -1.90 -0.05 0.00 -1.78 0.00 0.00 34.13 30.17 2kcc s GLU 64 CO 0.26 0.48 2.24 0.00 -0.49 0.00 0.00 175.26 177.76 2kcc s ALA 65 N -0.85 2.17 0.00 5.21 0.00 -1.24 -1.21 121.76 125.85 2kcc s ALA 65 Ca 0.11 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2kcc s ALA 65 Cb -0.10 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2kcc s ALA 65 CO 0.03 -3.66 0.00 0.41 0.00 0.00 0.00 175.76 172.53 2kcc n GLY 66 N 5.84 2.09 3.75 0.00 0.00 -1.12 -4.88 105.19 110.88 2kcc n GLY 66 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2kcc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcc s VAL 68 N -1.56 3.86 -0.47 0.00 1.01 -1.26 -2.78 120.40 119.20 2kcc s VAL 68 Ca 0.77 0.33 0.24 0.00 0.00 0.00 0.00 61.98 63.32 2kcc s VAL 68 Cb -0.31 -4.85 0.25 0.00 0.00 0.00 0.00 36.38 31.46 2kcc s VAL 68 CO 0.34 -1.73 1.52 0.58 0.00 0.00 0.00 175.10 175.81 2kcc h VAL 69 N 6.03 0.00 -1.33 2.92 2.07 -1.88 -3.38 116.25 120.68 2kcc h VAL 69 Ca -0.28 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2kcc h VAL 69 Cb 1.05 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2kcc h VAL 69 CO 1.25 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.84 2kcc n ALA 70 N -2.03 0.00 -3.83 1.67 0.00 -1.20 -3.28 120.51 111.83 2kcc n ALA 70 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 2kcc n ALA 70 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 2kcc n ALA 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcc n ARG 71 N 0.00 0.31 -3.96 0.00 5.12 -0.25 -2.16 116.66 115.72 2kcc n ARG 71 Ca 0.00 -2.21 -0.09 0.00 -1.93 0.00 0.00 57.85 53.62 2kcc n ARG 71 Cb 0.00 1.86 -0.09 0.00 -1.16 0.00 0.00 32.46 33.06 2kcc n ARG 71 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kcc s LEU 72 N 0.00 1.92 -0.33 0.55 2.01 -0.80 -2.90 118.68 119.13 2kcc s LEU 72 Ca 0.26 -0.67 -0.00 0.00 0.01 0.00 0.00 54.13 53.73 2kcc s LEU 72 Cb 0.01 0.56 0.13 0.00 0.01 0.00 0.00 46.19 46.91 2kcc s LEU 72 CO 0.18 -0.56 0.24 -0.70 1.01 0.00 0.00 176.35 176.52 2kcc s GLU 73 N -3.11 0.45 -0.05 1.70 2.12 -0.65 -4.43 118.70 114.73 2kcc s GLU 73 Ca -0.01 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.15 2kcc s GLU 73 Cb 0.02 -1.05 -0.07 0.00 0.26 0.00 0.00 34.13 33.29 2kcc s GLU 73 CO -0.07 -1.14 1.91 -0.51 -0.54 0.00 0.00 175.26 174.91 2kcc s LEU 74 N 1.56 4.19 0.32 2.70 2.01 -1.26 -1.71 118.68 126.50 2kcc s LEU 74 Ca 0.15 2.34 0.15 0.00 0.01 0.00 0.00 54.13 56.78 2kcc s LEU 74 Cb -0.18 -3.53 0.49 0.00 0.01 0.00 0.00 46.19 42.98 2kcc s LEU 74 CO -0.13 -1.20 1.65 -0.78 1.01 0.00 0.00 176.35 176.90 2kcc h ASP 75 N 11.13 0.00 -3.45 2.29 3.58 -1.95 -3.44 116.42 124.58 2kcc h ASP 75 Ca -0.44 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.48 2kcc h ASP 75 Cb 1.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2kcc h ASP 75 CO 0.95 0.49 0.45 -0.62 -2.88 0.00 0.00 179.24 177.64 2kcc s ASP 76 N -6.59 7.29 -0.06 2.28 2.15 -1.26 -4.95 116.67 115.53 2kcc s ASP 76 Ca -0.00 1.93 -0.11 0.00 0.43 0.00 0.00 52.55 54.80 2kcc s ASP 76 Cb 0.11 -2.59 -0.30 0.00 -0.30 0.00 0.00 42.92 39.84 2kcc s ASP 76 CO 0.72 -0.25 0.63 -0.07 -0.17 0.00 0.00 175.17 176.03 2kcc h LEU 77 N 5.91 0.60 -7.00 -1.34 4.07 -2.04 -3.49 115.31 112.03 2kcc h LEU 77 Ca -0.43 -0.94 0.05 0.00 0.08 0.00 0.00 57.88 56.64 2kcc h LEU 77 Cb 1.21 -0.20 -0.19 0.00 1.08 0.00 0.00 40.66 42.57 2kcc h LEU 77 CO 0.75 1.80 0.43 -1.61 -1.08 0.00 0.00 178.44 178.73 2kcc s GLU 78 N -2.58 0.81 -0.13 1.13 2.02 -1.26 -5.06 118.70 113.64 2kcc s GLU 78 Ca -0.17 -0.02 0.12 0.00 0.02 0.00 0.00 54.97 54.92 2kcc s GLU 78 Cb 0.05 0.38 -0.17 0.00 0.10 0.00 0.00 34.13 34.49 2kcc s GLU 78 CO 0.85 -0.30 0.06 1.58 0.02 0.00 0.00 175.26 177.46 2kcc n HIS 79 N 0.37 0.00 -3.57 1.61 -0.00 -1.26 -4.86 115.22 107.50 2kcc n HIS 79 Ca -0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.28 2kcc n HIS 79 Cb 0.59 -0.66 -0.05 0.00 -0.00 0.00 0.00 29.99 29.88 2kcc n HIS 79 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcc s HIS 80 N -2.35 3.46 -1.58 1.57 0.00 -1.26 -4.21 115.29 110.92 2kcc s HIS 80 Ca -0.07 0.69 -0.04 0.00 -3.00 0.00 0.00 55.06 52.64 2kcc s HIS 80 Cb 0.04 -2.11 0.00 0.00 -4.00 0.00 0.00 32.58 26.52 2kcc s HIS 80 CO 0.56 0.38 0.55 0.72 -1.00 0.00 0.00 174.74 175.95 2kcc n HIS 81 N 0.04 -1.87 -3.71 0.38 -0.00 -1.26 -4.97 115.22 103.84 2kcc n HIS 81 Ca -0.02 0.47 -0.39 0.00 -0.00 0.00 0.00 57.72 57.79 2kcc n HIS 81 Cb 0.52 -4.46 -0.12 0.00 -0.00 0.00 0.00 29.99 25.93 2kcc n HIS 81 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcc s HIS 82 N -3.17 3.24 -0.08 4.41 2.46 -1.26 -5.09 115.29 115.81 2kcc s HIS 82 Ca 0.27 -1.22 -0.03 0.00 0.47 0.00 0.00 55.06 54.55 2kcc s HIS 82 Cb -0.12 -2.32 -0.04 0.00 -0.13 0.00 0.00 32.58 29.97 2kcc s HIS 82 CO 0.34 -0.68 0.07 -1.58 -2.47 0.00 0.00 174.74 170.41 2kcc s HIS 83 N 1.46 3.34 -2.00 3.88 2.46 -1.26 -5.12 115.29 118.05 2kcc s HIS 83 Ca -0.00 0.31 0.31 0.00 0.47 0.00 0.00 55.06 56.15 2kcc s HIS 83 Cb -0.19 -1.83 1.84 0.00 -0.13 0.00 0.00 32.58 32.27 2kcc s HIS 83 CO 0.04 0.58 2.17 0.72 -2.47 0.00 0.00 174.74 175.78