#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 2.43 -0.29 0.03 2.02 -1.26 -5.01 118.70 116.61 2kcc s GLU 2 Ca 0.00 -1.98 -0.17 0.00 0.02 0.00 0.00 54.97 52.84 2kcc s GLU 2 Cb 0.00 -3.82 0.17 0.00 0.10 0.00 0.00 34.13 30.58 2kcc s GLU 2 CO 0.00 -1.16 1.11 1.21 0.02 0.00 0.00 175.26 176.43 2kcc s ASN 3 N 2.01 -0.32 0.16 -0.19 3.84 -1.26 -5.19 114.94 113.99 2kcc s ASN 3 Ca 0.09 0.53 -0.21 0.00 0.21 0.00 0.00 52.86 53.48 2kcc s ASN 3 Cb -0.23 1.04 0.06 0.00 -0.55 0.00 0.00 41.25 41.57 2kcc s ASN 3 CO -0.03 -0.09 0.57 -1.81 -2.79 0.00 0.00 177.10 172.95 2kcc s ASP 4 N 1.05 -0.48 0.44 -4.21 1.01 -1.26 -5.04 116.67 108.18 2kcc s ASP 4 Ca -0.06 -0.11 0.25 0.00 0.71 0.00 0.00 52.55 53.33 2kcc s ASP 4 Cb -0.03 0.58 0.68 0.00 1.01 0.00 0.00 42.92 45.16 2kcc s ASP 4 CO -0.13 -0.97 1.72 1.55 0.21 0.00 0.00 175.17 177.56 2kcc h PRO 5 N 2.07 0.00 -1.65 8.23 0.13 -2.03 -3.28 132.00 135.48 2kcc h PRO 5 Ca -0.33 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.40 2kcc h PRO 5 Cb 1.30 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.27 2kcc h PRO 5 CO 0.39 0.13 0.43 0.25 -0.23 0.00 0.00 178.00 178.97 2kcc n THR 6 N -3.18 3.01 -4.09 1.56 -2.24 -1.26 -4.75 114.28 103.32 2kcc n THR 6 Ca 0.02 -2.17 -0.12 0.00 -2.27 0.00 0.00 64.05 59.51 2kcc n THR 6 Cb 0.49 -1.42 -0.07 0.00 -2.10 0.00 0.00 70.33 67.23 2kcc n THR 6 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2kcc s VAL 7 N -2.41 0.00 -0.37 2.28 -7.23 -1.24 -2.16 120.40 109.27 2kcc s VAL 7 Ca 0.42 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.97 2kcc s VAL 7 Cb 0.31 -2.40 0.16 0.00 0.56 0.00 0.00 36.38 35.00 2kcc s VAL 7 CO -0.08 0.00 0.39 -0.22 -0.31 0.00 0.00 175.10 174.89 2kcc s LEU 8 N -3.12 -0.20 0.16 1.32 1.98 -1.00 -4.31 118.68 113.51 2kcc s LEU 8 Ca 0.30 -1.44 -0.10 0.00 -2.89 0.00 0.00 54.13 50.00 2kcc s LEU 8 Cb 0.02 0.68 -0.07 0.00 0.66 0.00 0.00 46.19 47.49 2kcc s LEU 8 CO 0.13 -0.26 0.49 -0.13 -1.89 0.00 0.00 176.35 174.69 2kcc s ARG 9 N 1.55 3.81 0.43 1.98 3.00 -1.26 -0.83 118.95 127.63 2kcc s ARG 9 Ca 0.16 0.26 -0.25 0.00 0.00 0.00 0.00 55.73 55.90 2kcc s ARG 9 Cb -0.14 -2.82 -0.08 0.00 0.00 0.00 0.00 34.95 31.91 2kcc s ARG 9 CO -0.06 0.43 1.23 0.45 0.00 0.00 0.00 175.30 177.35 2kcc s SER 10 N -2.08 6.26 0.24 0.23 0.15 0.32 -4.81 113.70 114.01 2kcc s SER 10 Ca 0.41 2.48 0.10 0.00 0.70 0.00 0.00 55.95 59.64 2kcc s SER 10 Cb -0.13 -2.62 0.24 0.00 -1.71 0.00 0.00 66.02 61.80 2kcc s SER 10 CO 0.20 -0.87 1.54 1.55 1.20 0.00 0.00 173.24 176.87 2kcc h PRO 11 N 2.41 0.00 0.00 5.44 0.13 -1.91 -2.94 132.00 135.14 2kcc h PRO 11 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 2kcc h PRO 11 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2kcc h PRO 11 CO 0.61 0.69 0.03 0.43 -0.23 0.00 0.00 178.00 179.54 2kcc n SER 12 N -3.69 -1.44 -4.62 1.44 7.64 -1.26 -4.71 113.62 106.98 2kcc n SER 12 Ca -0.01 -2.43 -0.43 0.00 1.01 0.00 0.00 58.87 57.01 2kcc n SER 12 Cb 0.68 2.52 -0.02 0.00 -1.01 0.00 0.00 64.21 66.38 2kcc n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kcc s ALA 13 N -2.25 3.24 0.00 -0.43 0.00 -1.26 -3.55 121.76 117.51 2kcc s ALA 13 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2kcc s ALA 13 Cb -0.02 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2kcc s ALA 13 CO 0.14 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.28 2kcc n GLY 14 N 4.62 5.63 3.63 0.00 0.00 0.30 -4.81 105.19 114.56 2kcc n GLY 14 Ca 0.15 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 4.15 0.75 -0.66 1.61 2.36 -1.26 -1.00 119.74 125.69 2kcc s LYS 15 Ca 0.00 0.88 -0.26 0.00 -2.55 0.00 0.00 55.97 54.04 2kcc s LYS 15 Cb 0.00 0.36 -0.04 0.00 -1.05 0.00 0.00 37.83 37.11 2kcc s LYS 15 CO 0.00 -0.09 1.97 -1.17 1.55 0.00 0.00 175.35 177.61 2kcc s LEU 16 N 0.33 3.26 0.06 5.43 2.96 -0.61 -2.22 118.68 127.89 2kcc s LEU 16 Ca 0.01 0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 54.00 2kcc s LEU 16 Cb -0.05 -2.53 -0.24 0.00 0.50 0.00 0.00 46.19 43.87 2kcc s LEU 16 CO -0.01 -2.58 1.17 0.00 -1.32 0.00 0.00 176.35 173.61 2kcc h THR 17 N 7.10 1.31 -0.89 3.68 1.03 -1.85 -3.12 112.91 120.17 2kcc h THR 17 Ca -0.18 -2.21 0.00 0.00 -0.01 0.00 0.00 66.41 64.01 2kcc h THR 17 Cb 1.14 2.44 0.00 0.00 -1.07 0.00 0.00 68.15 70.66 2kcc h THR 17 CO 1.20 0.68 0.00 1.67 -0.01 0.00 0.00 175.52 179.06 2kcc n GLN 18 N -3.94 0.00 -3.73 0.00 -0.06 -1.24 -4.93 117.38 103.48 2kcc n GLN 18 Ca -0.11 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.77 2kcc n GLN 18 Cb 0.84 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.91 2kcc n GLN 18 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 2kcc s TYR 19 N -3.53 -0.45 -0.97 3.69 -0.85 -1.26 -3.25 117.35 110.73 2kcc s TYR 19 Ca 0.00 1.06 0.23 0.00 -0.52 0.00 0.00 57.07 57.84 2kcc s TYR 19 Cb 0.00 0.16 0.09 0.00 0.38 0.00 0.00 41.96 42.60 2kcc s TYR 19 CO 0.00 -0.23 1.12 0.25 -1.52 0.00 0.00 175.55 175.17 2kcc n THR 20 N 3.24 0.01 -3.75 -3.49 -2.24 -1.21 -4.93 114.28 101.90 2kcc n THR 20 Ca -0.16 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2kcc n THR 20 Cb 0.57 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 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 -3.02 0.02 1.13 2.28 -7.23 -1.23 -4.97 120.40 107.38 2kcc s VAL 21 Ca 0.09 -0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 59.94 2kcc s VAL 21 Cb 0.17 -0.53 0.28 0.00 0.56 0.00 0.00 36.38 36.86 2kcc s VAL 21 CO 0.79 -0.07 0.93 -1.84 -0.31 0.00 0.00 175.10 174.61 2kcc n GLU 22 N 2.44 -3.19 -1.70 4.82 0.28 -1.26 -4.79 120.64 117.24 2kcc n GLU 22 Ca -0.15 -1.51 -0.42 0.00 -0.16 0.00 0.00 57.16 54.92 2kcc n GLU 22 Cb 0.57 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.92 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 -4.80 4.03 -0.69 -1.84 9.92 -1.26 -1.60 116.55 120.32 2kcc n ASP 23 Ca 0.13 1.01 -0.07 0.00 -0.53 0.00 0.00 54.79 55.34 2kcc n ASP 23 Cb 0.52 -1.55 -0.01 0.00 -0.64 0.00 0.00 41.12 39.44 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 4.16 0.29 3.62 0.44 0.00 0.28 -4.96 105.19 109.03 2kcc n GLY 24 Ca 0.17 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.76 1.11 0.05 -0.02 0.00 -0.62 -4.49 107.32 100.59 2kcc s GLY 25 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 44.72 44.81 2kcc s GLY 25 CO 0.00 3.06 1.83 -2.38 0.00 0.00 0.00 173.10 175.61 2kcc s HIS 26 N 5.61 1.82 -0.09 1.90 -3.43 -1.26 -2.57 115.29 117.27 2kcc s HIS 26 Ca 0.73 -0.11 -0.06 0.00 -0.80 0.00 0.00 55.06 54.82 2kcc s HIS 26 Cb -0.24 -4.13 0.03 0.00 -1.43 0.00 0.00 32.58 26.81 2kcc s HIS 26 CO 0.31 -4.84 0.21 0.14 -2.00 0.00 0.00 174.74 168.56 2kcc s VAL 27 N 3.61 -0.02 0.60 -5.38 -7.23 -0.95 -4.98 120.40 106.06 2kcc s VAL 27 Ca 0.82 0.07 -0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2kcc s VAL 27 Cb -0.42 -0.32 -0.00 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 0.59 3.09 0.07 4.82 -1.05 -1.26 -2.73 118.70 122.23 2kcc s GLU 28 Ca -0.04 0.23 -0.37 0.00 -0.15 0.00 0.00 54.97 54.64 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 -0.68 1.32 0.00 0.95 0.00 0.00 175.26 176.82 2kcc n ALA 29 N -2.65 -1.22 0.00 -0.84 0.00 -1.22 -0.59 120.51 113.99 2kcc n ALA 29 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kcc n ALA 29 Cb 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 2.46 3.07 3.69 0.00 0.00 -0.61 -4.93 105.19 108.86 2kcc n GLY 30 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 0.31 6.90 0.38 1.61 0.01 0.24 -4.75 113.70 118.40 2kcc s SER 31 Ca 0.00 2.04 -0.27 0.00 1.31 0.00 0.00 55.95 59.04 2kcc s SER 31 Cb 0.00 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 2kcc s SER 31 CO 0.00 -0.68 1.28 -0.94 0.41 0.00 0.00 173.24 173.30 2kcc s SER 32 N 1.77 6.48 -0.00 2.44 1.04 -1.26 -2.90 113.70 121.27 2kcc s SER 32 Ca 0.62 2.61 0.03 0.00 0.48 0.00 0.00 55.95 59.68 2kcc s SER 32 Cb -0.30 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.15 2kcc s SER 32 CO 0.25 -0.73 0.12 0.00 0.98 0.00 0.00 173.24 173.87 2kcc n TYR 33 N 0.32 0.00 -3.71 5.02 0.18 0.30 -4.79 117.16 114.48 2kcc n TYR 33 Ca 0.03 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.81 2kcc n TYR 33 Cb 0.44 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.40 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 -1.10 -0.72 -2.58 -3.48 0.00 -0.96 -3.34 120.51 108.33 2kcc n ALA 34 Ca 0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 2kcc n ALA 34 Cb 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 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 0.94 -0.19 0.00 2.02 -1.20 0.43 118.70 118.69 2kcc s GLU 35 Ca 0.06 -1.05 -0.08 0.00 0.02 0.00 0.00 54.97 53.93 2kcc s GLU 35 Cb -0.00 0.35 0.08 0.00 0.10 0.00 0.00 34.13 34.65 2kcc s GLU 35 CO 0.01 -0.31 0.41 0.00 0.02 0.00 0.00 175.26 175.39 2kcc s MET 36 N -3.90 0.35 -0.45 1.61 0.23 -0.21 -2.74 119.30 114.20 2kcc s MET 36 Ca 0.09 0.94 -0.22 0.00 -1.03 0.00 0.00 55.69 55.48 2kcc s MET 36 Cb 0.05 0.19 0.03 0.00 -1.53 0.00 0.00 34.83 33.56 2kcc s MET 36 CO -0.07 -0.22 0.71 -2.00 -2.03 0.00 0.00 175.02 171.41 2kcc s GLU 37 N 2.15 3.34 0.59 3.16 2.12 -0.94 -2.09 118.70 127.03 2kcc s GLU 37 Ca -0.05 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2kcc s GLU 37 Cb -0.11 -3.95 0.05 0.00 0.26 0.00 0.00 34.13 30.39 2kcc s GLU 37 CO -0.13 -1.07 0.83 0.08 -0.54 0.00 0.00 175.26 174.44 2kcc s VAL 38 N 3.05 2.54 0.54 3.70 1.01 -0.77 -4.01 120.40 126.47 2kcc s VAL 38 Ca 0.26 -0.61 0.21 0.00 0.00 0.00 0.00 61.98 61.84 2kcc s VAL 38 Cb -0.13 -2.94 0.32 0.00 0.00 0.00 0.00 36.38 33.63 2kcc s VAL 38 CO 0.21 0.00 2.11 0.24 0.00 0.00 0.00 175.10 177.66 2kcc h MET 39 N -0.09 0.00 0.00 2.72 0.00 -1.97 -3.21 114.93 112.37 2kcc h MET 39 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.28 2kcc h MET 39 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.90 2kcc h MET 39 CO 0.52 0.00 0.00 1.17 0.00 0.00 0.00 176.91 178.60 2kcc n LYS 40 N -4.37 0.00 -3.09 1.72 3.00 -1.26 -5.06 118.16 109.10 2kcc n LYS 40 Ca 0.01 0.37 -0.09 0.00 -0.00 0.00 0.00 58.31 58.60 2kcc n LYS 40 Cb 0.25 -0.94 -0.01 0.00 0.00 0.00 0.00 35.03 34.33 2kcc n LYS 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kcc n MET 41 N -1.61 0.54 -2.93 1.64 2.81 -1.22 -5.16 117.12 111.19 2kcc n MET 41 Ca 0.00 -1.77 -0.33 0.00 -1.81 0.00 0.00 57.70 53.79 2kcc n MET 41 Cb 0.00 1.81 -0.07 0.00 -0.71 0.00 0.00 33.22 34.26 2kcc n MET 41 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2kcc s ILE 42 N -2.62 4.48 0.09 2.02 1.10 -1.26 -1.84 121.20 123.17 2kcc s ILE 42 Ca 0.17 1.32 -0.07 0.00 -0.51 0.00 0.00 60.65 61.56 2kcc s ILE 42 Cb -0.01 -3.63 -0.01 0.00 0.15 0.00 0.00 42.46 38.95 2kcc s ILE 42 CO 0.12 -0.23 0.14 -0.04 -2.11 0.00 0.00 174.94 172.82 2kcc s MET 43 N -3.01 0.83 -0.07 3.50 -1.94 -0.89 -4.94 119.30 112.78 2kcc s MET 43 Ca 0.58 -1.07 0.05 0.00 -1.71 0.00 0.00 55.69 53.55 2kcc s MET 43 Cb -0.10 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 37.04 2kcc s MET 43 CO 0.15 -0.25 -0.24 0.99 -0.01 0.00 0.00 175.02 175.66 2kcc s THR 44 N -3.90 2.10 -0.08 2.05 2.01 -1.26 -1.04 115.64 115.52 2kcc s THR 44 Ca 0.08 -1.04 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 2kcc s THR 44 Cb 0.06 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 2kcc s THR 44 CO -0.09 0.57 0.45 -0.76 -0.69 0.00 0.00 174.62 174.10 2kcc s LEU 45 N -0.04 4.35 0.28 4.42 1.02 0.17 -4.93 118.68 123.94 2kcc s LEU 45 Ca -0.07 0.86 0.02 0.00 0.02 0.00 0.00 54.13 54.96 2kcc s LEU 45 Cb -0.15 -2.65 -0.06 0.00 0.02 0.00 0.00 46.19 43.36 2kcc s LEU 45 CO 0.05 0.12 0.07 0.54 0.02 0.00 0.00 176.35 177.15 2kcc s ASN 46 N 0.02 1.69 0.26 2.29 6.03 -1.26 0.11 114.94 124.07 2kcc s ASN 46 Ca 0.25 -1.37 -0.04 0.00 -1.03 0.00 0.00 52.86 50.67 2kcc s ASN 46 Cb -0.16 0.06 -0.05 0.00 -3.03 0.00 0.00 41.25 38.07 2kcc s ASN 46 CO 0.11 -0.66 0.50 0.68 -2.03 0.00 0.00 177.10 175.70 2kcc s VAL 47 N -3.55 5.07 -0.44 3.54 -7.23 -1.14 -4.86 120.40 111.79 2kcc s VAL 47 Ca 0.36 -0.04 0.23 0.00 -1.81 0.00 0.00 61.98 60.73 2kcc s VAL 47 Cb 0.08 -3.72 0.15 0.00 0.56 0.00 0.00 36.38 33.45 2kcc s VAL 47 CO 0.14 -0.25 1.36 0.06 -0.31 0.00 0.00 175.10 176.10 2kcc h GLN 48 N 1.87 0.00 -3.54 4.82 -0.00 -1.93 -1.62 115.11 114.70 2kcc h GLN 48 Ca -0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.05 2kcc h GLN 48 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.62 2kcc h GLN 48 CO 0.67 0.00 0.03 -1.21 -0.00 0.00 0.00 178.83 178.32 2kcc s GLU 49 N -3.25 1.98 0.40 0.06 2.02 -1.26 -4.72 118.70 113.92 2kcc s GLU 49 Ca 0.04 -1.51 -0.26 0.00 0.02 0.00 0.00 54.97 53.27 2kcc s GLU 49 Cb 0.09 0.53 -0.08 0.00 0.10 0.00 0.00 34.13 34.77 2kcc s GLU 49 CO 0.72 -0.87 1.22 1.03 0.02 0.00 0.00 175.26 177.38 2kcc s ARG 50 N -2.97 4.03 0.00 1.61 3.00 -1.26 -3.40 118.95 119.95 2kcc s ARG 50 Ca 0.22 1.97 0.00 0.00 0.00 0.00 0.00 55.73 57.92 2kcc s ARG 50 Cb -0.03 -2.72 0.00 0.00 0.00 0.00 0.00 34.95 32.20 2kcc s ARG 50 CO 0.14 -0.38 0.00 0.41 0.00 0.00 0.00 175.30 175.47 2kcc n GLY 51 N 0.67 1.12 3.60 -3.53 0.00 -1.10 -4.20 105.19 101.76 2kcc n GLY 51 Ca 0.04 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.96 4.00 -0.11 1.61 3.00 -0.42 -2.23 118.95 122.85 2kcc s ARG 52 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 55.73 55.56 2kcc s ARG 52 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 34.95 31.27 2kcc s ARG 52 CO 0.00 -0.33 0.93 0.08 0.00 0.00 0.00 175.30 175.98 2kcc s VAL 53 N 2.17 4.84 -0.29 3.52 1.01 -1.06 -1.73 120.40 128.85 2kcc s VAL 53 Ca 0.17 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 2kcc s VAL 53 Cb -0.16 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.03 2kcc s VAL 53 CO 0.10 0.05 -0.03 -0.54 0.00 0.00 0.00 175.10 174.68 2kcc s LYS 54 N 1.84 2.45 0.21 2.72 1.02 0.25 0.10 119.74 128.33 2kcc s LYS 54 Ca 0.45 -1.24 -0.32 0.00 0.02 0.00 0.00 55.97 54.88 2kcc s LYS 54 Cb -0.18 -3.11 -0.13 0.00 -0.52 0.00 0.00 37.83 33.90 2kcc s LYS 54 CO 0.17 -0.58 1.62 0.66 -0.92 0.00 0.00 175.35 176.30 2kcc n TYR 55 N 4.60 2.57 -0.08 3.18 4.02 -1.26 -0.18 117.16 130.01 2kcc n TYR 55 Ca -0.14 0.19 -0.14 0.00 -0.01 0.00 0.00 57.90 57.80 2kcc n TYR 55 Cb 0.44 -2.60 -0.05 0.00 -0.02 0.00 0.00 39.34 37.11 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 3.25 1.30 -1.37 -0.72 -0.00 -1.20 -4.88 119.36 115.73 2kcc n ILE 56 Ca 0.14 -0.01 -0.30 0.00 -0.00 0.00 0.00 62.75 62.58 2kcc n ILE 56 Cb 0.33 -1.99 0.09 0.00 -0.00 0.00 0.00 39.64 38.08 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 2.13 0.48 0.38 -0.14 -1.25 -5.03 119.74 113.76 2kcc s LYS 57 Ca -0.25 0.94 -0.01 0.00 -1.36 0.00 0.00 55.97 55.29 2kcc s LYS 57 Cb 0.07 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 34.32 2kcc s LYS 57 CO 0.34 -1.66 0.71 1.03 -0.76 0.00 0.00 175.35 175.01 2kcc s ARG 58 N -4.99 3.02 0.16 1.68 3.00 -1.26 -5.01 118.95 115.55 2kcc s ARG 58 Ca 0.61 -0.43 -0.31 0.00 0.00 0.00 0.00 55.73 55.60 2kcc s ARG 58 Cb -0.16 -2.51 -0.11 0.00 0.00 0.00 0.00 34.95 32.17 2kcc s ARG 58 CO 0.56 -0.36 1.69 -1.25 0.00 0.00 0.00 175.30 175.94 2kcc s PRO 59 N -4.63 4.16 0.00 3.54 0.04 -1.26 -1.81 135.00 135.04 2kcc s PRO 59 Ca 0.50 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.03 2kcc s PRO 59 Cb -0.10 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2kcc s PRO 59 CO 0.39 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2kcc n GLY 60 N 3.97 2.62 3.69 0.56 0.00 -1.18 -5.01 105.19 109.83 2kcc n GLY 60 Ca 0.16 0.00 -0.44 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 -1.02 1.68 -2.56 4.61 0.00 -0.75 -4.45 120.51 118.02 2kcc n ALA 61 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 2kcc n ALA 61 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 2kcc n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcc s VAL 62 N 0.39 4.51 0.25 0.00 0.11 -1.26 -1.58 120.40 122.82 2kcc s VAL 62 Ca 0.71 1.81 -0.23 0.00 -2.93 0.00 0.00 61.98 61.35 2kcc s VAL 62 Cb -0.61 -4.17 -0.09 0.00 -1.53 0.00 0.00 36.38 29.98 2kcc s VAL 62 CO 0.44 -0.12 0.82 -0.76 -3.33 0.00 0.00 175.10 172.14 2kcc s LEU 63 N 3.04 4.37 0.25 2.54 1.43 -0.17 -4.89 118.68 125.25 2kcc s LEU 63 Ca 0.50 1.61 0.11 0.00 -1.03 0.00 0.00 54.13 55.31 2kcc s LEU 63 Cb -0.19 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 2kcc s LEU 63 CO 0.12 0.01 -0.13 -1.83 0.23 0.00 0.00 176.35 174.76 2kcc s GLU 64 N -1.91 1.90 -0.88 1.70 -1.05 -1.26 0.11 118.70 117.31 2kcc s GLU 64 Ca 0.45 -1.56 -0.26 0.00 -0.15 0.00 0.00 54.97 53.45 2kcc s GLU 64 Cb -0.18 -1.95 -0.14 0.00 -0.44 0.00 0.00 34.13 31.41 2kcc s GLU 64 CO 0.23 0.36 2.27 0.00 0.95 0.00 0.00 175.26 179.07 2kcc s ALA 65 N -2.23 0.81 0.00 -0.84 0.00 -1.23 -0.70 121.76 117.56 2kcc s ALA 65 Ca 0.29 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2kcc s ALA 65 Cb -0.06 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.45 2kcc s ALA 65 CO 0.16 -5.96 0.00 0.41 0.00 0.00 0.00 175.76 170.37 2kcc n GLY 66 N 6.66 1.55 3.75 0.00 0.00 -1.11 -4.94 105.19 111.10 2kcc n GLY 66 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.54 4.24 -0.06 0.00 1.01 -1.26 -0.52 120.40 122.26 2kcc s VAL 68 Ca 0.75 0.96 0.13 0.00 0.00 0.00 0.00 61.98 63.82 2kcc s VAL 68 Cb -0.32 -4.59 -0.06 0.00 0.00 0.00 0.00 36.38 31.41 2kcc s VAL 68 CO 0.35 -1.06 1.27 0.58 0.00 0.00 0.00 175.10 176.25 2kcc h VAL 69 N 6.17 1.09 -1.36 2.92 2.07 -1.30 -3.36 116.25 122.49 2kcc h VAL 69 Ca -0.24 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.68 2kcc h VAL 69 Cb 1.06 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2kcc h VAL 69 CO 1.12 0.62 0.00 0.00 0.02 0.00 0.00 177.57 179.32 2kcc n ALA 70 N -2.30 0.00 -3.19 1.67 0.00 -0.63 -3.25 120.51 112.82 2kcc n ALA 70 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 2kcc n ALA 70 Cb 0.83 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.14 2kcc n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kcc s ARG 71 N -1.01 0.10 0.22 0.00 1.81 0.75 -2.37 118.95 118.46 2kcc s ARG 71 Ca 0.00 0.19 -0.02 0.00 -1.72 0.00 0.00 55.73 54.18 2kcc s ARG 71 Cb 0.00 -0.01 -0.05 0.00 -0.45 0.00 0.00 34.95 34.44 2kcc s ARG 71 CO 0.00 -0.06 0.44 -1.17 -0.68 0.00 0.00 175.30 173.83 2kcc s LEU 72 N 0.35 4.18 -0.39 2.53 1.98 -0.92 0.87 118.68 127.28 2kcc s LEU 72 Ca -0.02 0.51 0.03 0.00 -2.89 0.00 0.00 54.13 51.75 2kcc s LEU 72 Cb -0.04 -3.28 0.16 0.00 0.66 0.00 0.00 46.19 43.69 2kcc s LEU 72 CO -0.01 -0.08 0.33 -0.70 -1.89 0.00 0.00 176.35 174.00 2kcc s GLU 73 N -3.33 0.76 -0.06 1.98 -6.30 -0.71 -4.35 118.70 106.69 2kcc s GLU 73 Ca 0.40 -1.58 -0.29 0.00 -2.50 0.00 0.00 54.97 50.99 2kcc s GLU 73 Cb -0.11 -1.16 -0.07 0.00 0.00 0.00 0.00 34.13 32.79 2kcc s GLU 73 CO 0.29 -1.30 1.91 -0.51 0.02 0.00 0.00 175.26 175.67 2kcc s LEU 74 N 0.66 4.15 0.25 2.70 1.02 -1.26 -1.30 118.68 124.90 2kcc s LEU 74 Ca 0.25 2.30 0.09 0.00 0.02 0.00 0.00 54.13 56.79 2kcc s LEU 74 Cb -0.08 -3.53 0.28 0.00 0.02 0.00 0.00 46.19 42.88 2kcc s LEU 74 CO -0.09 -1.24 1.57 -0.78 0.02 0.00 0.00 176.35 175.83 2kcc h ASP 75 N 11.30 0.07 -0.40 2.29 1.82 -1.95 -3.47 116.42 126.07 2kcc h ASP 75 Ca -0.44 -0.04 -0.17 0.00 -0.39 0.00 0.00 57.03 55.98 2kcc h ASP 75 Cb 1.22 -0.02 -0.07 0.00 0.68 0.00 0.00 39.33 41.14 2kcc h ASP 75 CO 0.95 0.70 -0.16 -0.67 -1.61 0.00 0.00 179.24 178.46 2kcc n ASP 76 N -3.78 -5.25 -3.66 2.28 2.03 -1.26 -4.88 116.55 102.03 2kcc n ASP 76 Ca -0.01 0.21 -0.41 0.00 0.52 0.00 0.00 54.79 55.09 2kcc n ASP 76 Cb 0.65 -3.50 -0.00 0.00 -0.72 0.00 0.00 41.12 37.55 2kcc n ASP 76 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2kcc n LEU 77 N -0.97 7.35 -3.64 -2.67 0.00 -1.26 -4.82 117.00 110.99 2kcc n LEU 77 Ca -0.09 -4.52 -0.05 0.00 0.00 0.00 0.00 56.01 51.36 2kcc n LEU 77 Cb 0.48 -1.51 -0.07 0.00 0.00 0.00 0.00 43.42 42.32 2kcc n LEU 77 CO 0.13 1.56 0.49 -1.83 0.00 0.00 0.00 177.39 177.75 2kcc s GLU 78 N 1.10 0.56 -0.01 1.96 -1.05 -1.26 -5.17 118.70 114.82 2kcc s GLU 78 Ca 0.49 0.98 -0.19 0.00 -0.15 0.00 0.00 54.97 56.11 2kcc s GLU 78 Cb 0.14 0.12 0.03 0.00 -0.44 0.00 0.00 34.13 33.98 2kcc s GLU 78 CO -0.05 -0.12 0.40 -1.58 0.95 0.00 0.00 175.26 174.86 2kcc s HIS 79 N 1.52 -0.29 0.14 4.83 2.46 -1.26 -5.14 115.29 117.55 2kcc s HIS 79 Ca -0.10 0.44 -0.31 0.00 0.47 0.00 0.00 55.06 55.56 2kcc s HIS 79 Cb -0.04 0.18 -0.09 0.00 -0.13 0.00 0.00 32.58 32.49 2kcc s HIS 79 CO -0.18 -0.46 1.49 -3.38 -2.47 0.00 0.00 174.74 169.74 2kcc s HIS 80 N -1.44 3.14 0.09 3.88 -3.43 -1.26 -5.01 115.29 111.27 2kcc s HIS 80 Ca -0.12 0.77 -0.10 0.00 -0.80 0.00 0.00 55.06 54.81 2kcc s HIS 80 Cb -0.04 -3.82 0.01 0.00 -1.43 0.00 0.00 32.58 27.30 2kcc s HIS 80 CO 0.05 -2.96 0.23 -3.38 -2.00 0.00 0.00 174.74 166.67 2kcc s HIS 81 N 1.14 0.08 0.75 0.38 -3.43 -1.26 -5.17 115.29 107.79 2kcc s HIS 81 Ca 0.68 -0.49 -0.12 0.00 -0.80 0.00 0.00 55.06 54.33 2kcc s HIS 81 Cb -0.41 0.00 0.04 0.00 -1.43 0.00 0.00 32.58 30.79 2kcc s HIS 81 CO 0.31 -0.57 1.12 -1.58 -2.00 0.00 0.00 174.74 172.02 2kcc s HIS 82 N -3.84 3.15 0.61 0.38 2.46 -1.26 -5.05 115.29 111.74 2kcc s HIS 82 Ca 0.04 0.97 -0.14 0.00 0.47 0.00 0.00 55.06 56.41 2kcc s HIS 82 Cb 0.04 -3.20 -0.03 0.00 -0.13 0.00 0.00 32.58 29.26 2kcc s HIS 82 CO -0.11 -1.44 1.04 -1.58 -2.47 0.00 0.00 174.74 170.18 2kcc s HIS 83 N -3.39 3.24 -2.35 3.88 2.46 -1.26 -5.28 115.29 112.58 2kcc s HIS 83 Ca 0.60 1.44 0.29 0.00 0.47 0.00 0.00 55.06 57.86 2kcc s HIS 83 Cb -0.11 -2.87 1.31 0.00 -0.13 0.00 0.00 32.58 30.77 2kcc s HIS 83 CO 0.51 -0.91 1.89 -2.39 -2.47 0.00 0.00 174.74 171.38