#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 2.97 -0.30 0.03 2.02 -1.26 -4.99 118.70 117.17 2kcc s GLU 2 Ca 0.00 -3.11 -0.18 0.00 0.02 0.00 0.00 54.97 51.71 2kcc s GLU 2 Cb 0.00 -3.81 0.20 0.00 0.10 0.00 0.00 34.13 30.61 2kcc s GLU 2 CO 0.00 -1.24 1.24 1.21 0.02 0.00 0.00 175.26 176.49 2kcc s ASN 3 N -0.16 -0.13 0.11 -0.19 2.47 -1.26 -5.18 114.94 110.60 2kcc s ASN 3 Ca 0.24 0.22 -0.23 0.00 0.42 0.00 0.00 52.86 53.51 2kcc s ASN 3 Cb -0.10 0.90 0.06 0.00 -1.45 0.00 0.00 41.25 40.66 2kcc s ASN 3 CO -0.11 -0.03 0.58 -1.81 -3.72 0.00 0.00 177.10 172.00 2kcc s ASP 4 N 0.90 -0.52 0.52 -4.21 1.01 -1.26 -5.04 116.67 108.06 2kcc s ASP 4 Ca -0.06 0.09 0.30 0.00 0.71 0.00 0.00 52.55 53.60 2kcc s ASP 4 Cb -0.03 0.56 1.22 0.00 1.01 0.00 0.00 42.92 45.69 2kcc s ASP 4 CO -0.11 -0.87 1.94 1.55 0.21 0.00 0.00 175.17 177.89 2kcc h PRO 5 N 2.30 0.00 -1.72 8.23 0.13 -2.03 -3.19 132.00 135.72 2kcc h PRO 5 Ca -0.33 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.39 2kcc h PRO 5 Cb 1.26 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.23 2kcc h PRO 5 CO 0.40 0.07 0.42 0.25 -0.23 0.00 0.00 178.00 178.91 2kcc n THR 6 N -3.20 3.07 -4.10 1.56 -2.24 -1.26 -4.88 114.28 103.23 2kcc n THR 6 Ca 0.00 -2.33 -0.12 0.00 -2.27 0.00 0.00 64.05 59.34 2kcc n THR 6 Cb 0.34 -1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.55 0.00 -3.77 2.28 0.24 -1.21 -1.63 118.33 114.79 2kcc n VAL 7 Ca 0.40 -1.51 -0.13 0.00 -2.04 0.00 0.00 64.34 61.06 2kcc n VAL 7 Cb 0.57 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.64 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 0.83 -0.10 1.34 1.98 -0.94 -4.49 118.68 117.29 2kcc s LEU 8 Ca 0.25 0.48 -0.14 0.00 -2.89 0.00 0.00 54.13 51.83 2kcc s LEU 8 Cb 0.01 1.12 0.03 0.00 0.66 0.00 0.00 46.19 48.01 2kcc s LEU 8 CO 0.18 -0.20 0.35 -0.13 -1.89 0.00 0.00 176.35 174.66 2kcc s ARG 9 N -0.25 0.51 0.47 1.98 0.52 -1.26 -2.65 118.95 118.27 2kcc s ARG 9 Ca -0.04 0.29 -0.23 0.00 -0.52 0.00 0.00 55.73 55.24 2kcc s ARG 9 Cb -0.03 0.24 -0.07 0.00 0.52 0.00 0.00 34.95 35.61 2kcc s ARG 9 CO 0.01 -0.10 1.19 -1.12 0.02 0.00 0.00 175.30 175.31 2kcc s SER 10 N -0.29 6.04 0.38 0.23 0.01 -1.14 -4.87 113.70 114.06 2kcc s SER 10 Ca -0.04 2.36 0.19 0.00 1.31 0.00 0.00 55.95 59.77 2kcc s SER 10 Cb -0.03 -2.61 0.67 0.00 0.21 0.00 0.00 66.02 64.26 2kcc s SER 10 CO 0.02 -1.01 1.73 1.55 0.41 0.00 0.00 173.24 175.93 2kcc h PRO 11 N 1.94 0.00 -3.66 12.44 0.13 -1.93 -3.10 132.00 137.82 2kcc h PRO 11 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 2kcc h PRO 11 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 2kcc h PRO 11 CO 0.60 0.36 -0.00 -1.12 -0.23 0.00 0.00 178.00 177.61 2kcc s SER 12 N -6.41 0.52 -0.27 1.44 0.01 -1.26 -4.68 113.70 103.04 2kcc s SER 12 Ca 0.00 -1.32 -0.29 0.00 1.31 0.00 0.00 55.95 55.65 2kcc s SER 12 Cb 0.11 0.74 -0.00 0.00 0.21 0.00 0.00 66.02 67.07 2kcc s SER 12 CO 0.68 -1.44 1.28 0.00 0.41 0.00 0.00 173.24 174.17 2kcc s ALA 13 N -2.82 3.44 0.00 1.44 0.00 -1.26 -3.55 121.76 119.02 2kcc s ALA 13 Ca 0.24 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2kcc s ALA 13 Cb -0.02 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2kcc s ALA 13 CO 0.16 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.72 2kcc n GLY 14 N 4.12 5.20 3.63 0.00 0.00 0.29 -4.67 105.19 113.76 2kcc n GLY 14 Ca 0.14 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 4.49 0.74 -0.62 1.61 2.36 -1.18 -1.87 119.74 125.26 2kcc s LYS 15 Ca 0.00 0.90 -0.26 0.00 -2.55 0.00 0.00 55.97 54.06 2kcc s LYS 15 Cb 0.00 0.34 -0.03 0.00 -1.05 0.00 0.00 37.83 37.09 2kcc s LYS 15 CO 0.00 -0.09 1.98 -1.17 1.55 0.00 0.00 175.35 177.62 2kcc s LEU 16 N 0.44 3.29 -0.07 5.43 2.96 -0.75 -0.03 118.68 129.95 2kcc s LEU 16 Ca 0.00 0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 54.04 2kcc s LEU 16 Cb -0.05 -2.53 -0.24 0.00 0.50 0.00 0.00 46.19 43.88 2kcc s LEU 16 CO -0.03 -2.53 0.99 0.00 -1.32 0.00 0.00 176.35 173.46 2kcc h THR 17 N 7.08 1.59 -0.82 3.68 1.03 -1.88 -3.26 112.91 120.33 2kcc h THR 17 Ca -0.22 -1.93 0.00 0.00 -0.01 0.00 0.00 66.41 64.25 2kcc h THR 17 Cb 1.17 2.85 0.00 0.00 -1.07 0.00 0.00 68.15 71.09 2kcc h THR 17 CO 1.20 0.52 0.00 0.00 -0.01 0.00 0.00 175.52 177.23 2kcc n GLN 18 N -4.59 0.00 -3.75 0.00 10.64 -1.26 -4.93 117.38 113.49 2kcc n GLN 18 Ca -0.10 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.94 2kcc n GLN 18 Cb 0.46 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.73 2kcc n GLN 18 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2kcc s TYR 19 N -3.27 -0.38 -1.41 2.61 -0.85 -1.26 -3.12 117.35 109.68 2kcc s TYR 19 Ca 0.00 0.90 0.24 0.00 -0.52 0.00 0.00 57.07 57.69 2kcc s TYR 19 Cb 0.00 0.13 0.29 0.00 0.38 0.00 0.00 41.96 42.77 2kcc s TYR 19 CO 0.00 -0.21 1.27 0.25 -1.52 0.00 0.00 175.55 175.34 2kcc n THR 20 N 2.72 0.00 -3.75 -3.49 -2.24 -1.11 -4.93 114.28 101.48 2kcc n THR 20 Ca -0.14 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 2kcc n THR 20 Cb 0.57 0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.76 0.04 1.15 2.28 -7.23 -1.21 -4.98 120.40 107.70 2kcc s VAL 21 Ca 0.15 -0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 59.80 2kcc s VAL 21 Cb 0.18 -0.61 0.29 0.00 0.56 0.00 0.00 36.38 36.80 2kcc s VAL 21 CO 0.67 -0.18 0.95 -1.84 -0.31 0.00 0.00 175.10 174.39 2kcc n GLU 22 N 1.67 -3.26 -1.67 4.82 -0.00 -1.26 -4.78 120.64 116.16 2kcc n GLU 22 Ca -0.19 -1.54 -0.42 0.00 -0.00 0.00 0.00 57.16 55.01 2kcc n GLU 22 Cb 0.56 -1.53 -0.03 0.00 -0.00 0.00 0.00 31.44 30.45 2kcc n GLU 22 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2kcc n ASP 23 N -4.86 4.13 -0.14 -1.84 5.75 -1.26 -1.57 116.55 116.76 2kcc n ASP 23 Ca 0.14 0.92 -0.01 0.00 -0.01 0.00 0.00 54.79 55.82 2kcc n ASP 23 Cb 0.53 -1.52 -0.00 0.00 -1.03 0.00 0.00 41.12 39.10 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kcc n GLY 24 N 4.50 0.33 3.63 6.12 0.00 0.28 -4.96 105.19 115.08 2kcc n GLY 24 Ca 0.20 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.95 1.15 0.03 -0.02 0.00 -0.61 -4.40 107.32 100.53 2kcc s GLY 25 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.94 2kcc s GLY 25 CO 0.00 3.11 1.87 -2.38 0.00 0.00 0.00 173.10 175.70 2kcc s HIS 26 N 5.51 1.62 -0.08 1.90 -3.43 -1.26 -2.52 115.29 117.03 2kcc s HIS 26 Ca 0.75 -0.22 -0.06 0.00 -0.80 0.00 0.00 55.06 54.73 2kcc s HIS 26 Cb -0.26 -4.15 0.02 0.00 -1.43 0.00 0.00 32.58 26.76 2kcc s HIS 26 CO 0.31 -5.03 0.19 0.14 -2.00 0.00 0.00 174.74 168.35 2kcc s VAL 27 N 4.00 -0.01 0.58 -5.38 -7.23 -0.96 -4.99 120.40 106.41 2kcc s VAL 27 Ca 0.83 0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.97 2kcc s VAL 27 Cb -0.41 -0.29 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 2kcc s VAL 27 CO 0.38 0.02 0.93 -1.83 -0.31 0.00 0.00 175.10 174.28 2kcc s GLU 28 N 0.39 3.25 0.07 4.82 -1.05 -1.26 -2.88 118.70 122.03 2kcc s GLU 28 Ca -0.02 0.30 -0.37 0.00 -0.15 0.00 0.00 54.97 54.73 2kcc s GLU 28 Cb -0.04 -2.22 -0.17 0.00 -0.44 0.00 0.00 34.13 31.27 2kcc s GLU 28 CO -0.02 -0.58 1.35 0.00 0.95 0.00 0.00 175.26 176.97 2kcc n ALA 29 N -2.59 -1.00 0.00 -0.84 0.00 -1.23 -0.57 120.51 114.27 2kcc n ALA 29 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kcc n ALA 29 Cb 0.56 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 2.58 3.10 3.71 0.00 0.00 -0.53 -4.94 105.19 109.10 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 -0.56 0.00 0.00 0.00 173.32 172.76 2kcc s SER 31 N -0.01 6.94 0.30 1.61 0.01 0.26 -4.74 113.70 118.07 2kcc s SER 31 Ca 0.00 2.14 -0.29 0.00 1.31 0.00 0.00 55.95 59.10 2kcc s SER 31 Cb 0.00 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 2kcc s SER 31 CO 0.00 -0.59 1.33 -0.94 0.41 0.00 0.00 173.24 173.45 2kcc s SER 32 N 1.25 6.77 -0.00 2.44 1.04 -1.26 -3.02 113.70 120.91 2kcc s SER 32 Ca 0.62 2.65 0.03 0.00 0.48 0.00 0.00 55.95 59.72 2kcc s SER 32 Cb -0.32 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.12 2kcc s SER 32 CO 0.29 -0.56 0.09 0.00 0.98 0.00 0.00 173.24 174.03 2kcc n TYR 33 N 1.35 0.00 -3.66 5.02 0.18 0.79 -4.84 117.16 116.00 2kcc n TYR 33 Ca 0.02 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.80 2kcc n TYR 33 Cb 0.42 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.34 2kcc n TYR 33 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kcc n ALA 34 N -1.38 -0.21 -2.64 -3.48 0.00 -1.11 -2.76 120.51 108.93 2kcc n ALA 34 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 2kcc n ALA 34 Cb 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 2kcc n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kcc s GLU 35 N -2.00 1.30 -0.19 0.00 2.02 -1.18 0.10 118.70 118.74 2kcc s GLU 35 Ca 0.02 -1.40 -0.07 0.00 0.02 0.00 0.00 54.97 53.54 2kcc s GLU 35 Cb -0.00 0.36 0.08 0.00 0.10 0.00 0.00 34.13 34.67 2kcc s GLU 35 CO 0.00 -0.48 0.42 0.00 0.02 0.00 0.00 175.26 175.23 2kcc s MET 36 N -4.07 0.34 -0.59 1.61 0.23 -1.03 -3.34 119.30 112.46 2kcc s MET 36 Ca 0.28 1.00 -0.22 0.00 -1.03 0.00 0.00 55.69 55.72 2kcc s MET 36 Cb 0.04 0.27 0.06 0.00 -1.53 0.00 0.00 34.83 33.67 2kcc s MET 36 CO 0.08 -0.23 0.87 -2.00 -2.03 0.00 0.00 175.02 171.71 2kcc s GLU 37 N 2.37 3.17 0.51 3.16 2.12 0.95 -3.19 118.70 127.79 2kcc s GLU 37 Ca -0.03 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.56 2kcc s GLU 37 Cb -0.11 -4.16 0.01 0.00 0.26 0.00 0.00 34.13 30.13 2kcc s GLU 37 CO -0.13 -1.58 0.74 0.54 -0.54 0.00 0.00 175.26 174.29 2kcc s VAL 38 N 3.63 3.54 0.61 3.70 0.11 -1.16 -3.11 120.40 127.72 2kcc s VAL 38 Ca 0.22 -0.46 0.30 0.00 -2.93 0.00 0.00 61.98 59.12 2kcc s VAL 38 Cb -0.17 -3.33 0.36 0.00 -1.53 0.00 0.00 36.38 31.71 2kcc s VAL 38 CO 0.13 -0.25 2.06 0.24 -3.33 0.00 0.00 175.10 173.94 2kcc h MET 39 N 0.19 0.00 0.00 1.54 0.00 -1.94 -3.16 114.93 111.56 2kcc h MET 39 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.25 2kcc h MET 39 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.87 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 -3.57 0.00 -3.98 1.72 4.76 -1.26 -5.06 118.16 110.77 2kcc n LYS 40 Ca 0.02 0.16 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 2kcc n LYS 40 Cb 0.37 -0.74 -0.02 0.00 -1.84 0.00 0.00 35.03 32.80 2kcc n LYS 40 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2kcc s MET 41 N -0.52 1.94 0.27 1.97 -1.94 -1.19 -5.16 119.30 114.66 2kcc s MET 41 Ca 0.00 -1.53 -0.23 0.00 -1.71 0.00 0.00 55.69 52.21 2kcc s MET 41 Cb 0.00 0.51 -0.09 0.00 2.01 0.00 0.00 34.83 37.26 2kcc s MET 41 CO 0.00 -0.84 0.85 -1.50 -0.01 0.00 0.00 175.02 173.51 2kcc s ILE 42 N -3.05 4.36 0.24 2.53 1.10 -1.26 -2.96 121.20 122.15 2kcc s ILE 42 Ca 0.24 1.61 -0.06 0.00 -0.51 0.00 0.00 60.65 61.92 2kcc s ILE 42 Cb -0.02 -3.96 -0.02 0.00 0.15 0.00 0.00 42.46 38.61 2kcc s ILE 42 CO 0.15 0.19 0.31 -0.04 -2.11 0.00 0.00 174.94 173.44 2kcc s MET 43 N -1.97 1.42 -0.06 3.50 -1.94 -1.19 -5.01 119.30 114.05 2kcc s MET 43 Ca 0.46 -1.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.00 2kcc s MET 43 Cb -0.18 0.37 -0.01 0.00 2.01 0.00 0.00 34.83 37.02 2kcc s MET 43 CO 0.23 -0.54 -0.25 0.99 -0.01 0.00 0.00 175.02 175.44 2kcc s THR 44 N -3.99 2.05 0.00 2.05 2.01 -1.26 -2.45 115.64 114.06 2kcc s THR 44 Ca 0.32 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 2kcc s THR 44 Cb 0.03 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.74 2kcc s THR 44 CO 0.12 0.57 0.43 -0.76 -0.69 0.00 0.00 174.62 174.29 2kcc s LEU 45 N -0.10 4.47 0.25 4.42 1.43 0.28 -4.94 118.68 124.50 2kcc s LEU 45 Ca -0.06 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 2kcc s LEU 45 Cb -0.14 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2kcc s LEU 45 CO 0.04 0.30 0.02 0.54 0.23 0.00 0.00 176.35 177.49 2kcc s ASN 46 N -1.00 1.78 0.28 2.29 2.20 -1.26 -0.15 114.94 119.08 2kcc s ASN 46 Ca 0.24 -1.27 -0.04 0.00 -0.94 0.00 0.00 52.86 50.85 2kcc s ASN 46 Cb -0.17 0.03 -0.05 0.00 -2.00 0.00 0.00 41.25 39.06 2kcc s ASN 46 CO 0.14 -0.57 0.53 0.68 -2.94 0.00 0.00 177.10 174.94 2kcc s VAL 47 N -3.47 5.05 -0.31 3.54 -7.23 -1.17 -4.89 120.40 111.91 2kcc s VAL 47 Ca 0.31 0.01 0.22 0.00 -1.81 0.00 0.00 61.98 60.71 2kcc s VAL 47 Cb 0.07 -3.73 0.14 0.00 0.56 0.00 0.00 36.38 33.42 2kcc s VAL 47 CO 0.11 -0.29 1.30 0.06 -0.31 0.00 0.00 175.10 175.96 2kcc h GLN 48 N 1.75 0.00 -3.58 4.82 -0.00 -1.92 -1.40 115.11 114.78 2kcc h GLN 48 Ca -0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.03 2kcc h GLN 48 Cb 1.19 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.63 2kcc h GLN 48 CO 0.66 0.04 0.03 -1.21 -0.00 0.00 0.00 178.83 178.35 2kcc s GLU 49 N -3.26 2.04 0.46 0.06 2.02 -1.26 -4.73 118.70 114.03 2kcc s GLU 49 Ca 0.03 -1.57 -0.23 0.00 0.02 0.00 0.00 54.97 53.21 2kcc s GLU 49 Cb 0.07 0.53 -0.07 0.00 0.10 0.00 0.00 34.13 34.76 2kcc s GLU 49 CO 0.74 -0.90 1.19 1.03 0.02 0.00 0.00 175.26 177.34 2kcc s ARG 50 N -2.80 3.72 0.00 1.61 3.00 -1.26 -3.58 118.95 119.64 2kcc s ARG 50 Ca 0.23 1.85 0.00 0.00 0.00 0.00 0.00 55.73 57.81 2kcc s ARG 50 Cb -0.03 -2.43 0.00 0.00 0.00 0.00 0.00 34.95 32.50 2kcc s ARG 50 CO 0.16 -0.61 0.00 0.41 0.00 0.00 0.00 175.30 175.26 2kcc n GLY 51 N 0.50 1.32 3.65 -3.53 0.00 -1.14 -4.12 105.19 101.87 2kcc n GLY 51 Ca 0.07 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.86 4.12 -0.35 1.61 3.00 -1.04 -2.27 118.95 122.16 2kcc s ARG 52 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 55.73 55.64 2kcc s ARG 52 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 34.95 31.38 2kcc s ARG 52 CO 0.00 -0.14 1.01 0.08 0.00 0.00 0.00 175.30 176.25 2kcc s VAL 53 N 1.65 4.52 -0.34 3.52 1.01 -1.05 -2.35 120.40 127.37 2kcc s VAL 53 Ca 0.18 1.46 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 2kcc s VAL 53 Cb -0.15 -4.39 0.06 0.00 0.00 0.00 0.00 36.38 31.90 2kcc s VAL 53 CO 0.09 -0.54 0.08 -1.59 0.00 0.00 0.00 175.10 173.13 2kcc s LYS 54 N 3.63 2.35 0.37 2.72 -2.85 -1.16 0.10 119.74 124.90 2kcc s LYS 54 Ca 0.42 -1.40 -0.28 0.00 -1.00 0.00 0.00 55.97 53.72 2kcc s LYS 54 Cb -0.12 -3.35 -0.11 0.00 -2.06 0.00 0.00 37.83 32.19 2kcc s LYS 54 CO 0.18 -0.76 1.39 0.66 0.10 0.00 0.00 175.35 176.92 2kcc n TYR 55 N 4.65 2.62 -0.09 1.78 4.01 -1.26 -1.15 117.16 127.72 2kcc n TYR 55 Ca -0.10 0.49 -0.18 0.00 -0.16 0.00 0.00 57.90 57.96 2kcc n TYR 55 Cb 0.43 -2.47 -0.06 0.00 -0.31 0.00 0.00 39.34 36.93 2kcc n TYR 55 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2kcc n ILE 56 N 0.28 1.20 -1.31 -0.72 -0.00 -1.21 -4.87 119.36 112.73 2kcc n ILE 56 Ca 0.03 -0.15 -0.29 0.00 -0.00 0.00 0.00 62.75 62.35 2kcc n ILE 56 Cb 0.38 -1.88 0.18 0.00 -0.00 0.00 0.00 39.64 38.32 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 -2.45 0.24 0.43 0.38 -0.14 -1.26 -5.05 119.74 111.90 2kcc s LYS 57 Ca -0.26 0.24 -0.00 0.00 -1.36 0.00 0.00 55.97 54.59 2kcc s LYS 57 Cb 0.09 -1.74 -0.01 0.00 -1.68 0.00 0.00 37.83 34.49 2kcc s LYS 57 CO 0.34 -2.80 0.66 1.03 -0.76 0.00 0.00 175.35 173.83 2kcc s ARG 58 N -5.22 3.19 0.16 1.68 3.00 -1.26 -5.04 118.95 115.46 2kcc s ARG 58 Ca 0.67 -0.39 -0.31 0.00 0.00 0.00 0.00 55.73 55.70 2kcc s ARG 58 Cb -0.15 -2.56 -0.09 0.00 0.00 0.00 0.00 34.95 32.15 2kcc s ARG 58 CO 0.56 -0.19 1.50 -1.25 0.00 0.00 0.00 175.30 175.92 2kcc s PRO 59 N -4.53 4.25 0.00 3.54 0.04 -1.26 -2.29 135.00 134.75 2kcc s PRO 59 Ca 0.47 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2kcc s PRO 59 Cb -0.10 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2kcc s PRO 59 CO 0.38 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2kcc n GLY 60 N 3.50 2.68 3.70 0.56 0.00 -1.23 -5.02 105.19 109.38 2kcc n GLY 60 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.98 1.30 -2.60 4.61 0.00 -0.97 -4.42 120.51 117.45 2kcc n ALA 61 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 2kcc n ALA 61 Cb 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 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 -1.18 4.59 0.23 0.00 1.01 -1.26 -1.80 120.40 121.98 2kcc s VAL 62 Ca 0.60 1.89 -0.24 0.00 0.00 0.00 0.00 61.98 64.23 2kcc s VAL 62 Cb -0.52 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.56 2kcc s VAL 62 CO 0.59 -0.09 0.82 -0.76 0.00 0.00 0.00 175.10 175.65 2kcc s LEU 63 N 2.77 4.45 0.16 3.92 2.01 -0.78 -4.91 118.68 126.29 2kcc s LEU 63 Ca 0.49 1.65 0.10 0.00 0.01 0.00 0.00 54.13 56.37 2kcc s LEU 63 Cb -0.18 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.37 2kcc s LEU 63 CO 0.13 0.08 -0.17 -1.61 1.01 0.00 0.00 176.35 175.79 2kcc s GLU 64 N -1.66 1.80 -0.56 1.70 2.02 -1.26 0.10 118.70 120.84 2kcc s GLU 64 Ca 0.42 -1.30 -0.26 0.00 0.02 0.00 0.00 54.97 53.85 2kcc s GLU 64 Cb -0.20 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 31.90 2kcc s GLU 64 CO 0.24 0.44 2.33 0.00 0.02 0.00 0.00 175.26 178.30 2kcc s ALA 65 N -1.46 1.54 0.00 5.21 0.00 -1.23 -1.12 121.76 124.71 2kcc s ALA 65 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2kcc s ALA 65 Cb -0.09 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.64 2kcc s ALA 65 CO 0.12 -4.64 0.00 0.41 0.00 0.00 0.00 175.76 171.64 2kcc n GLY 66 N 6.12 1.36 3.75 0.00 0.00 -1.17 -4.90 105.19 110.35 2kcc n GLY 66 Ca 0.36 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.52 4.13 -0.36 0.00 1.01 -1.26 -2.86 120.40 119.54 2kcc s VAL 68 Ca 0.74 0.80 0.22 0.00 0.00 0.00 0.00 61.98 63.74 2kcc s VAL 68 Cb -0.32 -4.67 0.23 0.00 0.00 0.00 0.00 36.38 31.62 2kcc s VAL 68 CO 0.36 -1.25 1.46 0.58 0.00 0.00 0.00 175.10 176.26 2kcc h VAL 69 N 6.13 0.12 -1.29 2.92 2.07 -1.84 -3.39 116.25 120.97 2kcc h VAL 69 Ca -0.25 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2kcc h VAL 69 Cb 1.06 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2kcc h VAL 69 CO 1.15 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.81 2kcc n ALA 70 N -2.14 0.00 -3.74 1.67 0.00 -1.18 -3.35 120.51 111.78 2kcc n ALA 70 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2kcc n ALA 70 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 0.29 -3.98 0.00 5.12 -0.30 -2.23 116.66 115.56 2kcc n ARG 71 Ca 0.00 -1.96 -0.08 0.00 -1.93 0.00 0.00 57.85 53.88 2kcc n ARG 71 Cb 0.00 1.66 -0.09 0.00 -1.16 0.00 0.00 32.46 32.87 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 2.02 -0.39 0.55 2.01 -0.65 -2.99 118.68 119.23 2kcc s LEU 72 Ca 0.23 -0.81 0.03 0.00 0.01 0.00 0.00 54.13 53.59 2kcc s LEU 72 Cb 0.01 0.55 0.16 0.00 0.01 0.00 0.00 46.19 46.92 2kcc s LEU 72 CO 0.16 -0.63 0.33 -0.70 1.01 0.00 0.00 176.35 176.52 2kcc s GLU 73 N -3.69 0.74 0.42 1.70 2.56 -0.99 -4.59 118.70 114.85 2kcc s GLU 73 Ca 0.04 -1.54 0.10 0.00 0.00 0.00 0.00 54.97 53.58 2kcc s GLU 73 Cb 0.05 -1.16 0.89 0.00 2.00 0.00 0.00 34.13 35.91 2kcc s GLU 73 CO -0.10 -1.29 1.98 -0.07 -0.56 0.00 0.00 175.26 175.23 2kcc h LEU 74 N 6.34 0.22 -1.27 2.70 4.07 -1.91 -2.77 115.31 122.69 2kcc h LEU 74 Ca 0.14 -0.03 -0.57 0.00 0.08 0.00 0.00 57.88 57.50 2kcc h LEU 74 Cb 0.97 -0.06 -0.34 0.00 1.08 0.00 0.00 40.66 42.31 2kcc h LEU 74 CO 0.28 0.30 -0.83 -0.90 -1.08 0.00 0.00 178.44 176.21 2kcc n ASP 75 N -4.35 -1.45 -4.77 -0.43 5.75 -1.26 -4.81 116.55 105.24 2kcc n ASP 75 Ca -0.01 -1.14 -0.39 0.00 -0.01 0.00 0.00 54.79 53.25 2kcc n ASP 75 Cb 0.20 -1.45 -0.05 0.00 -1.03 0.00 0.00 41.12 38.79 2kcc n ASP 75 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2kcc s ASP 76 N -3.15 7.29 0.03 -1.12 1.01 -1.26 -4.97 116.67 114.50 2kcc s ASP 76 Ca 0.70 2.03 0.10 0.00 0.71 0.00 0.00 52.55 56.10 2kcc s ASP 76 Cb -0.41 -2.60 -0.22 0.00 1.01 0.00 0.00 42.92 40.70 2kcc s ASP 76 CO 0.93 -0.11 0.93 -0.07 0.21 0.00 0.00 175.17 177.06 2kcc h LEU 77 N 3.49 0.00 -6.94 1.23 3.38 -2.03 -3.46 115.31 110.97 2kcc h LEU 77 Ca -0.47 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.58 2kcc h LEU 77 Cb 1.20 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.72 2kcc h LEU 77 CO 0.66 0.99 0.13 -1.83 0.09 0.00 0.00 178.44 178.48 2kcc s GLU 78 N -2.65 0.54 -1.23 1.13 -1.05 -1.26 -5.06 118.70 109.11 2kcc s GLU 78 Ca -0.02 1.03 -0.05 0.00 -0.15 0.00 0.00 54.97 55.78 2kcc s GLU 78 Cb 0.09 0.28 0.19 0.00 -0.44 0.00 0.00 34.13 34.24 2kcc s GLU 78 CO 0.82 -0.13 2.14 1.58 0.95 0.00 0.00 175.26 180.63 2kcc n HIS 79 N 4.39 2.65 -3.64 4.83 -0.00 -1.26 -4.86 115.22 117.33 2kcc n HIS 79 Ca -0.17 -2.74 -0.06 0.00 0.46 0.00 0.00 57.72 55.22 2kcc n HIS 79 Cb 0.56 -1.65 -0.07 0.00 -0.12 0.00 0.00 29.99 28.71 2kcc n HIS 79 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcc s HIS 80 N -1.91 -0.66 0.01 1.57 5.65 -1.26 -5.09 115.29 113.60 2kcc s HIS 80 Ca 0.48 1.39 -0.05 0.00 0.25 0.00 0.00 55.06 57.13 2kcc s HIS 80 Cb 0.17 0.40 -0.03 0.00 -1.18 0.00 0.00 32.58 31.94 2kcc s HIS 80 CO -0.08 -0.32 1.05 0.45 -0.65 0.00 0.00 174.74 175.18 2kcc h HIS 81 N 5.73 -0.18 -3.99 3.88 -0.00 -2.07 -3.44 115.15 115.08 2kcc h HIS 81 Ca -0.29 -0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.39 2kcc h HIS 81 Cb 1.19 0.06 -0.26 0.00 -0.00 0.00 0.00 27.41 28.40 2kcc h HIS 81 CO 0.17 -0.11 -0.80 -3.38 -0.00 0.00 0.00 177.93 173.81 2kcc s HIS 82 N -3.36 2.63 0.17 2.45 -3.43 -1.26 -5.12 115.29 107.37 2kcc s HIS 82 Ca -0.03 -0.36 0.04 0.00 -0.80 0.00 0.00 55.06 53.91 2kcc s HIS 82 Cb 0.00 -1.64 -0.01 0.00 -1.43 0.00 0.00 32.58 29.50 2kcc s HIS 82 CO 0.08 0.03 0.15 -2.39 -2.00 0.00 0.00 174.74 170.62 2kcc n HIS 83 N 2.62 -0.45 -0.40 0.38 -0.00 -1.26 -5.21 115.22 110.90 2kcc n HIS 83 Ca -0.17 -1.42 0.00 0.00 -0.00 0.00 0.00 57.72 56.13 2kcc n HIS 83 Cb 0.52 0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 2kcc n HIS 83 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06