#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 3.40 -0.76 0.03 0.41 -1.26 -4.94 118.70 115.59 2kcc s GLU 2 Ca 0.00 -2.56 0.03 0.00 -0.41 0.00 0.00 54.97 52.03 2kcc s GLU 2 Cb 0.00 -4.27 0.30 0.00 -1.78 0.00 0.00 34.13 28.38 2kcc s GLU 2 CO 0.00 -1.26 1.10 -1.71 -0.49 0.00 0.00 175.26 172.90 2kcc n ASN 3 N 3.72 5.00 -4.85 -0.19 2.85 -1.26 -5.06 115.26 115.46 2kcc n ASN 3 Ca 0.13 -3.55 -0.31 0.00 -0.11 0.00 0.00 54.58 50.74 2kcc n ASN 3 Cb 0.44 -0.81 -0.03 0.00 1.24 0.00 0.00 39.78 40.62 2kcc n ASN 3 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2kcc s ASP 4 N -2.51 6.55 0.55 1.20 1.01 -1.26 -4.97 116.67 117.24 2kcc s ASP 4 Ca 0.41 1.44 0.33 0.00 0.71 0.00 0.00 52.55 55.45 2kcc s ASP 4 Cb 0.18 -2.46 1.39 0.00 1.01 0.00 0.00 42.92 43.04 2kcc s ASP 4 CO -0.05 -0.58 1.99 1.55 0.21 0.00 0.00 175.17 178.30 2kcc h PRO 5 N 0.85 0.00 -1.53 8.23 0.13 -1.99 -3.14 132.00 134.54 2kcc h PRO 5 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.31 2kcc h PRO 5 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2kcc h PRO 5 CO 0.62 0.02 0.44 0.25 -0.23 0.00 0.00 178.00 179.10 2kcc n THR 6 N -3.13 2.87 -3.66 1.56 -2.24 -1.26 -4.79 114.28 103.63 2kcc n THR 6 Ca 0.00 -1.83 -0.12 0.00 -2.27 0.00 0.00 64.05 59.83 2kcc n THR 6 Cb 0.30 -1.35 -0.12 0.00 -2.10 0.00 0.00 70.33 67.06 2kcc n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kcc s VAL 7 N -2.42 -0.47 -0.76 2.28 1.01 -1.19 -2.43 120.40 116.43 2kcc s VAL 7 Ca 0.35 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 2kcc s VAL 7 Cb 0.27 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 36.24 2kcc s VAL 7 CO -0.02 0.10 0.95 -0.22 0.00 0.00 0.00 175.10 175.91 2kcc s LEU 8 N 2.41 5.04 0.12 3.92 1.98 -0.75 -4.88 118.68 126.53 2kcc s LEU 8 Ca -0.00 -1.61 -0.11 0.00 -2.89 0.00 0.00 54.13 49.52 2kcc s LEU 8 Cb -0.12 -2.37 -0.06 0.00 0.66 0.00 0.00 46.19 44.30 2kcc s LEU 8 CO -0.10 -1.16 0.46 -0.13 -1.89 0.00 0.00 176.35 173.53 2kcc s ARG 9 N 2.95 3.81 0.44 1.98 3.00 -1.26 -0.84 118.95 129.03 2kcc s ARG 9 Ca 0.23 0.25 -0.24 0.00 0.00 0.00 0.00 55.73 55.98 2kcc s ARG 9 Cb -0.14 -2.92 -0.08 0.00 0.00 0.00 0.00 34.95 31.82 2kcc s ARG 9 CO 0.00 0.50 1.20 -1.54 0.00 0.00 0.00 175.30 175.46 2kcc s SER 10 N -1.88 6.21 0.15 0.23 1.04 -0.03 -4.79 113.70 114.62 2kcc s SER 10 Ca 0.37 2.40 -0.05 0.00 0.48 0.00 0.00 55.95 59.15 2kcc s SER 10 Cb -0.14 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 2kcc s SER 10 CO 0.19 -0.90 1.37 1.55 0.98 0.00 0.00 173.24 176.43 2kcc h PRO 11 N 2.24 0.50 -3.63 4.02 0.13 -1.90 -3.03 132.00 130.33 2kcc h PRO 11 Ca -0.49 -0.44 -0.18 0.00 -0.87 0.00 0.00 66.00 64.02 2kcc h PRO 11 Cb 1.25 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 2kcc h PRO 11 CO 0.61 1.08 0.03 -1.12 -0.23 0.00 0.00 178.00 178.36 2kcc s SER 12 N -7.04 0.60 -0.33 1.44 0.01 -1.26 -4.61 113.70 102.50 2kcc s SER 12 Ca -0.07 -1.39 -0.29 0.00 1.31 0.00 0.00 55.95 55.51 2kcc s SER 12 Cb 0.10 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.10 2kcc s SER 12 CO 0.86 -1.51 1.31 0.00 0.41 0.00 0.00 173.24 174.31 2kcc s ALA 13 N -2.56 3.29 0.00 1.44 0.00 -1.26 -3.44 121.76 119.23 2kcc s ALA 13 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2kcc s ALA 13 Cb -0.03 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2kcc s ALA 13 CO 0.17 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.42 2kcc n GLY 14 N 4.50 5.29 3.63 0.00 0.00 0.11 -4.64 105.19 114.08 2kcc n GLY 14 Ca 0.15 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 4.53 0.74 -0.69 1.61 2.36 -1.20 -1.32 119.74 125.76 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 0.35 -0.04 0.00 -1.05 0.00 0.00 37.83 37.09 2kcc s LYS 15 CO 0.00 -0.09 1.99 -1.17 1.55 0.00 0.00 175.35 177.63 2kcc s LEU 16 N 0.40 3.24 0.06 5.43 2.96 -0.55 -1.54 118.68 128.67 2kcc s LEU 16 Ca 0.00 0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 2kcc s LEU 16 Cb -0.05 -2.54 -0.23 0.00 0.50 0.00 0.00 46.19 43.88 2kcc s LEU 16 CO -0.02 -2.65 1.18 0.00 -1.32 0.00 0.00 176.35 173.54 2kcc h THR 17 N 7.15 1.31 -0.98 3.68 1.03 -1.87 -3.27 112.91 119.96 2kcc h THR 17 Ca -0.14 -2.18 0.00 0.00 -0.01 0.00 0.00 66.41 64.08 2kcc h THR 17 Cb 1.12 2.40 0.00 0.00 -1.07 0.00 0.00 68.15 70.60 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 -3.96 0.00 -3.75 0.00 7.27 -1.24 -4.96 117.38 110.74 2kcc n GLN 18 Ca -0.11 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.83 2kcc n GLN 18 Cb 0.82 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.37 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 -3.92 -0.38 -0.54 3.69 -0.85 -1.26 -3.19 117.35 110.89 2kcc s TYR 19 Ca 0.00 0.90 0.22 0.00 -0.52 0.00 0.00 57.07 57.68 2kcc s TYR 19 Cb 0.00 0.14 -0.08 0.00 0.38 0.00 0.00 41.96 42.40 2kcc s TYR 19 CO 0.00 -0.22 0.90 0.25 -1.52 0.00 0.00 175.55 174.95 2kcc n THR 20 N 2.67 0.13 -3.76 -3.49 -2.24 -1.03 -4.91 114.28 101.64 2kcc n THR 20 Ca -0.14 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 2kcc n THR 20 Cb 0.57 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 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 -3.24 0.03 1.12 2.28 -7.23 -1.16 -4.96 120.40 107.25 2kcc s VAL 21 Ca 0.02 -0.24 -0.19 0.00 -1.81 0.00 0.00 61.98 59.76 2kcc s VAL 21 Cb 0.14 -0.55 0.28 0.00 0.56 0.00 0.00 36.38 36.82 2kcc s VAL 21 CO 0.83 -0.13 0.93 -1.84 -0.31 0.00 0.00 175.10 174.58 2kcc n GLU 22 N 2.07 -3.16 -1.67 4.82 0.28 -1.26 -4.77 120.64 116.95 2kcc n GLU 22 Ca -0.17 -1.50 -0.42 0.00 -0.16 0.00 0.00 57.16 54.90 2kcc n GLU 22 Cb 0.57 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.93 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 -4.79 4.13 -0.03 -1.84 9.92 -1.26 -1.41 116.55 121.27 2kcc n ASP 23 Ca 0.13 0.92 -0.00 0.00 -0.53 0.00 0.00 54.79 55.31 2kcc n ASP 23 Cb 0.52 -1.52 -0.00 0.00 -0.64 0.00 0.00 41.12 39.48 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 4.49 0.37 3.63 0.44 0.00 0.28 -4.94 105.19 109.46 2kcc n GLY 24 Ca 0.20 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.99 1.21 0.04 -0.02 0.00 -0.50 -4.51 107.32 100.55 2kcc s GLY 25 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.91 2kcc s GLY 25 CO 0.00 3.03 1.85 -2.38 0.00 0.00 0.00 173.10 175.60 2kcc s HIS 26 N 5.25 1.69 -0.09 1.90 -3.43 -1.26 -2.44 115.29 116.91 2kcc s HIS 26 Ca 0.72 -0.18 -0.06 0.00 -0.80 0.00 0.00 55.06 54.75 2kcc s HIS 26 Cb -0.25 -4.14 0.03 0.00 -1.43 0.00 0.00 32.58 26.79 2kcc s HIS 26 CO 0.30 -4.94 0.21 0.14 -2.00 0.00 0.00 174.74 168.45 2kcc s VAL 27 N 3.88 -0.02 0.60 -5.38 -7.23 -0.90 -4.97 120.40 106.37 2kcc s VAL 27 Ca 0.83 0.06 -0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2kcc s VAL 27 Cb -0.41 -0.32 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 2kcc s VAL 27 CO 0.37 0.03 0.94 -1.83 -0.31 0.00 0.00 175.10 174.30 2kcc s GLU 28 N 0.58 3.14 0.06 4.82 -1.05 -1.26 -2.63 118.70 122.36 2kcc s GLU 28 Ca -0.04 0.26 -0.37 0.00 -0.15 0.00 0.00 54.97 54.67 2kcc s GLU 28 Cb -0.05 -2.21 -0.17 0.00 -0.44 0.00 0.00 34.13 31.26 2kcc s GLU 28 CO -0.03 -0.65 1.35 0.00 0.95 0.00 0.00 175.26 176.88 2kcc n ALA 29 N -2.64 -1.11 0.00 -0.84 0.00 -1.22 -0.47 120.51 114.24 2kcc n ALA 29 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2kcc n ALA 29 Cb 0.56 -2.06 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 2.55 3.17 3.69 0.00 0.00 -0.27 -4.94 105.19 109.40 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 -0.27 6.91 0.26 1.61 0.15 0.38 -4.74 113.70 118.00 2kcc s SER 31 Ca 0.00 2.08 -0.30 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 61.65 2kcc s SER 31 CO 0.00 -0.66 1.37 -0.94 1.20 0.00 0.00 173.24 174.21 2kcc s SER 32 N 1.61 6.75 -0.00 5.45 1.04 -1.26 -2.87 113.70 124.42 2kcc s SER 32 Ca 0.62 2.60 0.06 0.00 0.48 0.00 0.00 55.95 59.71 2kcc s SER 32 Cb -0.31 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.11 2kcc s SER 32 CO 0.27 -0.61 0.21 0.00 0.98 0.00 0.00 173.24 174.09 2kcc n TYR 33 N 2.01 0.00 -3.71 5.02 0.18 0.19 -4.76 117.16 116.09 2kcc n TYR 33 Ca 0.05 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.83 2kcc n TYR 33 Cb 0.41 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.33 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 -1.33 -0.81 -2.53 -3.48 0.00 -0.93 -2.47 120.51 108.97 2kcc n ALA 34 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 2kcc n ALA 34 Cb 0.11 0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.01 0.85 -0.17 0.00 2.02 -1.19 0.26 118.70 118.45 2kcc s GLU 35 Ca 0.07 -0.99 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 2kcc s GLU 35 Cb -0.00 0.34 0.06 0.00 0.10 0.00 0.00 34.13 34.63 2kcc s GLU 35 CO 0.01 -0.27 0.41 0.00 0.02 0.00 0.00 175.26 175.43 2kcc s MET 36 N -3.87 0.38 -0.42 1.61 0.23 -0.07 -2.90 119.30 114.26 2kcc s MET 36 Ca 0.06 0.83 -0.22 0.00 -1.03 0.00 0.00 55.69 55.34 2kcc s MET 36 Cb 0.05 0.04 0.02 0.00 -1.53 0.00 0.00 34.83 33.40 2kcc s MET 36 CO -0.10 -0.18 0.70 -2.00 -2.03 0.00 0.00 175.02 171.41 2kcc s GLU 37 N 1.62 3.45 0.63 3.16 2.12 -0.59 -1.83 118.70 127.26 2kcc s GLU 37 Ca -0.08 -0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.11 2kcc s GLU 37 Cb -0.09 -3.90 0.07 0.00 0.26 0.00 0.00 34.13 30.47 2kcc s GLU 37 CO -0.13 -0.97 0.88 0.08 -0.54 0.00 0.00 175.26 174.58 2kcc s VAL 38 N 2.96 2.43 0.52 3.70 1.01 -0.54 -3.25 120.40 127.23 2kcc s VAL 38 Ca 0.26 -0.60 0.19 0.00 0.00 0.00 0.00 61.98 61.82 2kcc s VAL 38 Cb -0.13 -2.83 0.31 0.00 0.00 0.00 0.00 36.38 33.72 2kcc s VAL 38 CO 0.19 0.00 2.11 0.24 0.00 0.00 0.00 175.10 177.64 2kcc h MET 39 N -0.21 0.00 0.00 2.72 0.00 -1.97 -3.23 114.93 112.24 2kcc h MET 39 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.30 2kcc h MET 39 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.89 2kcc h MET 39 CO 0.49 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.03 2kcc n LYS 40 N -4.49 0.00 -1.45 1.72 4.01 -1.26 -5.07 118.16 111.61 2kcc n LYS 40 Ca 0.01 0.35 0.00 0.00 -0.51 0.00 0.00 58.31 58.16 2kcc n LYS 40 Cb 0.24 -0.91 0.00 0.00 -0.51 0.00 0.00 35.03 33.85 2kcc n LYS 40 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2kcc n MET 41 N -1.55 0.00 -2.91 1.97 1.56 -1.22 -5.16 117.12 109.81 2kcc n MET 41 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.10 2kcc n MET 41 Cb 0.00 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.31 2kcc n MET 41 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 2kcc s ILE 42 N -2.55 4.51 0.08 1.12 1.10 -1.26 -1.47 121.20 122.72 2kcc s ILE 42 Ca 0.00 1.27 -0.07 0.00 -0.51 0.00 0.00 60.65 61.34 2kcc s ILE 42 Cb 0.00 -3.61 -0.01 0.00 0.15 0.00 0.00 42.46 38.99 2kcc s ILE 42 CO 0.00 -0.30 0.13 -0.04 -2.11 0.00 0.00 174.94 172.62 2kcc s MET 43 N -3.17 0.77 -0.08 3.50 -1.94 -0.76 -4.92 119.30 112.69 2kcc s MET 43 Ca 0.59 -1.02 0.05 0.00 -1.71 0.00 0.00 55.69 53.60 2kcc s MET 43 Cb -0.09 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 37.04 2kcc s MET 43 CO 0.16 -0.22 -0.24 0.99 -0.01 0.00 0.00 175.02 175.70 2kcc s THR 44 N -3.84 2.10 -0.13 2.05 2.01 -1.26 -0.89 115.64 115.68 2kcc s THR 44 Ca 0.05 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.85 2kcc s THR 44 Cb 0.06 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2kcc s THR 44 CO -0.11 0.56 0.45 -0.76 -0.69 0.00 0.00 174.62 174.08 2kcc s LEU 45 N 0.12 4.27 0.35 4.42 1.02 0.14 -4.93 118.68 124.07 2kcc s LEU 45 Ca -0.12 0.76 0.04 0.00 0.02 0.00 0.00 54.13 54.83 2kcc s LEU 45 Cb -0.16 -2.64 -0.05 0.00 0.02 0.00 0.00 46.19 43.35 2kcc s LEU 45 CO 0.07 0.01 0.07 0.54 0.02 0.00 0.00 176.35 177.06 2kcc s ASN 46 N 0.61 2.61 0.17 2.29 2.20 -1.26 0.55 114.94 122.10 2kcc s ASN 46 Ca 0.24 -1.45 -0.07 0.00 -0.94 0.00 0.00 52.86 50.64 2kcc s ASN 46 Cb -0.15 0.05 -0.06 0.00 -2.00 0.00 0.00 41.25 39.09 2kcc s ASN 46 CO 0.09 -0.68 0.44 0.68 -2.94 0.00 0.00 177.10 174.70 2kcc s VAL 47 N -3.23 5.07 -0.65 3.54 -7.23 -1.14 -4.87 120.40 111.89 2kcc s VAL 47 Ca 0.32 0.23 0.25 0.00 -1.81 0.00 0.00 61.98 60.97 2kcc s VAL 47 Cb 0.07 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.51 2kcc s VAL 47 CO 0.15 0.02 1.44 0.06 -0.31 0.00 0.00 175.10 176.46 2kcc h GLN 48 N 2.79 0.00 -3.45 4.82 -0.00 -1.94 -0.69 115.11 116.63 2kcc h GLN 48 Ca -0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.14 2kcc h GLN 48 Cb 1.17 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 28.58 2kcc h GLN 48 CO 0.71 0.00 0.01 -1.21 -0.00 0.00 0.00 178.83 178.34 2kcc s GLU 49 N -3.16 1.73 0.21 0.06 0.41 -1.26 -4.78 118.70 111.92 2kcc s GLU 49 Ca 0.07 -1.26 -0.30 0.00 -0.41 0.00 0.00 54.97 53.07 2kcc s GLU 49 Cb 0.13 0.52 -0.09 0.00 -1.78 0.00 0.00 34.13 32.91 2kcc s GLU 49 CO 0.69 -0.75 1.35 1.03 -0.49 0.00 0.00 175.26 177.08 2kcc s ARG 50 N -3.68 4.35 0.00 1.61 3.00 -1.26 -3.43 118.95 119.53 2kcc s ARG 50 Ca 0.19 2.13 0.00 0.00 0.00 0.00 0.00 55.73 58.05 2kcc s ARG 50 Cb -0.03 -3.17 0.00 0.00 0.00 0.00 0.00 34.95 31.75 2kcc s ARG 50 CO 0.10 -0.31 0.00 0.41 0.00 0.00 0.00 175.30 175.50 2kcc n GLY 51 N 2.35 0.67 3.63 -3.53 0.00 -1.08 -4.57 105.19 102.66 2kcc n GLY 51 Ca 0.06 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 4.08 -0.09 1.61 0.52 -1.17 -2.13 118.95 119.78 2kcc s ARG 52 Ca 0.00 0.13 -0.28 0.00 -0.52 0.00 0.00 55.73 55.07 2kcc s ARG 52 Cb 0.00 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 2kcc s ARG 52 CO 0.00 -0.20 0.91 0.08 0.02 0.00 0.00 175.30 176.11 2kcc s VAL 53 N 1.83 4.87 -0.28 3.52 1.01 -1.02 0.66 120.40 130.98 2kcc s VAL 53 Ca 0.17 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 2kcc s VAL 53 Cb -0.15 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kcc s VAL 53 CO 0.09 0.09 -0.04 -0.54 0.00 0.00 0.00 175.10 174.70 2kcc s LYS 54 N 1.60 2.50 0.24 2.72 -0.14 -1.04 0.99 119.74 126.61 2kcc s LYS 54 Ca 0.45 -1.21 -0.31 0.00 -1.36 0.00 0.00 55.97 53.54 2kcc s LYS 54 Cb -0.18 -3.08 -0.13 0.00 -1.68 0.00 0.00 37.83 32.76 2kcc s LYS 54 CO 0.19 -0.55 1.56 0.66 -0.76 0.00 0.00 175.35 176.45 2kcc n TYR 55 N 4.60 2.54 -0.07 3.18 4.02 -1.26 -0.32 117.16 129.84 2kcc n TYR 55 Ca -0.14 0.27 -0.13 0.00 -0.01 0.00 0.00 57.90 57.89 2kcc n TYR 55 Cb 0.44 -2.56 -0.04 0.00 -0.02 0.00 0.00 39.34 37.15 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 2.63 1.31 -1.29 -0.72 -0.00 -1.11 -4.88 119.36 115.30 2kcc n ILE 56 Ca 0.12 0.01 -0.29 0.00 -0.00 0.00 0.00 62.75 62.59 2kcc n ILE 56 Cb 0.33 -2.00 0.19 0.00 -0.00 0.00 0.00 39.64 38.17 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 -2.55 -0.05 0.45 0.38 -0.14 -1.23 -5.03 119.74 111.58 2kcc s LYS 57 Ca -0.24 0.14 -0.00 0.00 -1.36 0.00 0.00 55.97 54.50 2kcc s LYS 57 Cb 0.06 -1.71 -0.01 0.00 -1.68 0.00 0.00 37.83 34.49 2kcc s LYS 57 CO 0.33 -2.97 0.68 1.03 -0.76 0.00 0.00 175.35 173.66 2kcc s ARG 58 N -5.30 3.10 0.12 1.68 3.00 -1.26 -5.04 118.95 115.25 2kcc s ARG 58 Ca 0.68 -0.42 -0.31 0.00 0.00 0.00 0.00 55.73 55.68 2kcc s ARG 58 Cb -0.13 -2.54 -0.08 0.00 0.00 0.00 0.00 34.95 32.20 2kcc s ARG 58 CO 0.56 -0.27 1.38 -1.25 0.00 0.00 0.00 175.30 175.71 2kcc s PRO 59 N -4.58 4.33 0.00 3.54 0.04 -1.26 -2.59 135.00 134.48 2kcc s PRO 59 Ca 0.48 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2kcc s PRO 59 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2kcc s PRO 59 CO 0.39 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2kcc n GLY 60 N 3.37 2.61 3.68 0.56 0.00 -1.23 -5.02 105.19 109.15 2kcc n GLY 60 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 0.87 -2.63 4.61 0.00 -1.07 -4.34 120.51 117.09 2kcc n ALA 61 Ca 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2kcc n ALA 61 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 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 -1.34 4.63 0.33 0.00 1.01 -1.26 -1.48 120.40 122.28 2kcc s VAL 62 Ca 0.70 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 64.39 2kcc s VAL 62 Cb -0.45 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.61 2kcc s VAL 62 CO 0.51 0.07 0.82 -0.76 0.00 0.00 0.00 175.10 175.74 2kcc s LEU 63 N 1.57 4.14 0.06 3.92 1.02 -0.44 -4.89 118.68 124.06 2kcc s LEU 63 Ca 0.52 1.50 0.07 0.00 0.02 0.00 0.00 54.13 56.24 2kcc s LEU 63 Cb -0.22 -4.07 -0.03 0.00 0.02 0.00 0.00 46.19 41.90 2kcc s LEU 63 CO 0.24 -0.17 -0.20 -1.61 0.02 0.00 0.00 176.35 174.63 2kcc s GLU 64 N -2.65 1.30 -0.52 1.70 0.41 -1.26 0.04 118.70 117.72 2kcc s GLU 64 Ca 0.53 -0.98 -0.26 0.00 -0.41 0.00 0.00 54.97 53.85 2kcc s GLU 64 Cb -0.13 -1.44 -0.06 0.00 -1.78 0.00 0.00 34.13 30.72 2kcc s GLU 64 CO 0.18 0.36 2.33 0.00 -0.49 0.00 0.00 175.26 177.64 2kcc s ALA 65 N -0.89 1.68 0.00 5.21 0.00 -1.22 -1.18 121.76 125.36 2kcc s ALA 65 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2kcc s ALA 65 Cb -0.09 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.68 2kcc s ALA 65 CO 0.02 -4.43 0.00 0.41 0.00 0.00 0.00 175.76 171.76 2kcc n GLY 66 N 5.98 1.08 3.76 0.00 0.00 -1.15 -4.90 105.19 109.96 2kcc n GLY 66 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.53 4.47 -0.00 0.00 1.01 -1.26 -0.85 120.40 122.23 2kcc s VAL 68 Ca 0.75 1.41 0.11 0.00 0.00 0.00 0.00 61.98 64.25 2kcc s VAL 68 Cb -0.32 -4.43 -0.15 0.00 0.00 0.00 0.00 36.38 31.49 2kcc s VAL 68 CO 0.36 -0.62 1.13 0.58 0.00 0.00 0.00 175.10 176.54 2kcc h VAL 69 N 5.88 1.20 -0.67 2.92 2.07 -1.30 -3.39 116.25 122.96 2kcc h VAL 69 Ca -0.22 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.47 2kcc h VAL 69 Cb 1.07 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2kcc h VAL 69 CO 1.04 0.68 0.00 0.00 0.02 0.00 0.00 177.57 179.31 2kcc n ALA 70 N -2.37 0.00 -4.03 1.67 0.00 -0.12 -2.75 120.51 112.90 2kcc n ALA 70 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 2kcc n ALA 70 Cb 0.91 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.30 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 0.39 -3.70 0.00 5.12 0.56 -1.81 116.66 117.21 2kcc n ARG 71 Ca 0.00 -2.62 -0.16 0.00 -1.93 0.00 0.00 57.85 53.15 2kcc n ARG 71 Cb 0.00 1.99 -0.15 0.00 -1.16 0.00 0.00 32.46 33.14 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 0.28 -1.23 0.55 2.01 -1.02 -2.49 118.68 116.78 2kcc s LEU 72 Ca 0.28 0.30 -0.14 0.00 0.01 0.00 0.00 54.13 54.58 2kcc s LEU 72 Cb 0.01 0.27 0.16 0.00 0.01 0.00 0.00 46.19 46.65 2kcc s LEU 72 CO 0.20 -0.20 1.51 1.21 1.01 0.00 0.00 176.35 180.07 2kcc n GLU 73 N 4.86 3.37 -1.03 1.70 2.13 0.21 -4.60 120.64 127.29 2kcc n GLU 73 Ca -0.14 -3.77 -0.32 0.00 0.66 0.00 0.00 57.16 53.59 2kcc n GLU 73 Cb 0.50 -3.07 0.13 0.00 0.27 0.00 0.00 31.44 29.27 2kcc n GLU 73 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kcc s LEU 74 N 1.63 3.02 -1.04 4.31 1.43 -1.26 -3.01 118.68 123.75 2kcc s LEU 74 Ca 0.44 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 2kcc s LEU 74 Cb -0.01 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.57 2kcc s LEU 74 CO 0.01 -2.63 2.21 -0.67 0.23 0.00 0.00 176.35 175.49 2kcc n ASP 75 N -3.65 4.82 -3.06 2.29 2.03 -1.26 -4.90 116.55 112.82 2kcc n ASP 75 Ca 0.12 -2.50 -0.16 0.00 0.52 0.00 0.00 54.79 52.76 2kcc n ASP 75 Cb 0.52 -1.23 0.12 0.00 -0.72 0.00 0.00 41.12 39.81 2kcc n ASP 75 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kcc n ASP 76 N 5.10 -0.41 0.11 1.67 8.00 -1.26 -4.98 116.55 124.78 2kcc n ASP 76 Ca 0.52 -1.16 0.05 0.00 0.71 0.00 0.00 54.79 54.92 2kcc n ASP 76 Cb 0.24 -0.56 0.01 0.00 -0.02 0.00 0.00 41.12 40.79 2kcc n ASP 76 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kcc h LEU 77 N 0.00 0.00 -8.05 0.64 3.38 -2.05 -3.42 115.31 105.81 2kcc h LEU 77 Ca -0.24 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.29 2kcc h LEU 77 Cb 0.67 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2kcc h LEU 77 CO 0.16 0.33 1.28 -0.70 0.09 0.00 0.00 178.44 179.59 2kcc s GLU 78 N -3.08 3.01 -0.21 1.13 2.12 -1.26 -4.92 118.70 115.49 2kcc s GLU 78 Ca 0.01 -1.06 -0.03 0.00 0.36 0.00 0.00 54.97 54.25 2kcc s GLU 78 Cb 0.08 -5.27 -0.01 0.00 0.26 0.00 0.00 34.13 29.19 2kcc s GLU 78 CO 0.76 -3.13 -0.07 -1.58 -0.54 0.00 0.00 175.26 170.70 2kcc s HIS 79 N 8.28 2.93 -0.16 5.30 2.46 -1.26 -5.09 115.29 127.74 2kcc s HIS 79 Ca 0.62 -0.98 -0.28 0.00 0.47 0.00 0.00 55.06 54.89 2kcc s HIS 79 Cb -0.01 -2.06 0.07 0.00 -0.13 0.00 0.00 32.58 30.44 2kcc s HIS 79 CO 0.04 -0.54 0.69 -1.58 -2.47 0.00 0.00 174.74 170.88 2kcc s HIS 80 N 1.35 -0.72 0.01 3.88 5.04 -1.26 -5.17 115.29 118.42 2kcc s HIS 80 Ca 0.04 1.52 0.02 0.00 -1.54 0.00 0.00 55.06 55.10 2kcc s HIS 80 Cb -0.14 0.33 -0.01 0.00 0.04 0.00 0.00 32.58 32.80 2kcc s HIS 80 CO -0.04 -0.49 -0.07 -1.58 -2.34 0.00 0.00 174.74 170.23 2kcc s HIS 81 N -0.38 0.58 -0.42 3.88 2.46 -1.26 -5.12 115.29 115.03 2kcc s HIS 81 Ca -0.05 -0.24 -0.18 0.00 0.47 0.00 0.00 55.06 55.06 2kcc s HIS 81 Cb -0.03 -0.36 0.02 0.00 -0.13 0.00 0.00 32.58 32.08 2kcc s HIS 81 CO 0.05 -0.03 0.46 -1.01 -2.47 0.00 0.00 174.74 171.74 2kcc s HIS 82 N -0.58 3.16 0.86 3.88 3.76 -1.26 -5.07 115.29 120.04 2kcc s HIS 82 Ca -0.02 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.47 2kcc s HIS 82 Cb -0.05 -2.94 0.10 0.00 1.11 0.00 0.00 32.58 30.80 2kcc s HIS 82 CO 0.00 -0.71 1.12 -3.38 -0.85 0.00 0.00 174.74 170.92 2kcc s HIS 83 N 2.22 2.67 -2.11 1.40 -3.43 -1.26 -5.39 115.29 109.39 2kcc s HIS 83 Ca 0.14 0.99 0.31 0.00 -0.80 0.00 0.00 55.06 55.70 2kcc s HIS 83 Cb -0.17 -3.26 1.73 0.00 -1.43 0.00 0.00 32.58 29.45 2kcc s HIS 83 CO 0.14 -2.08 2.13 -2.39 -2.00 0.00 0.00 174.74 170.54