#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcc n GLU 2 N 0.00 -6.24 -3.62 3.17 4.71 -1.26 -5.01 120.64 112.39 2kcc n GLU 2 Ca 0.00 0.85 -0.04 0.00 -0.01 0.00 0.00 57.16 57.97 2kcc n GLU 2 Cb 0.00 -5.86 -0.06 0.00 -1.01 0.00 0.00 31.44 24.50 2kcc n GLU 2 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2kcc s ASN 3 N -4.27 -0.71 0.06 1.62 3.84 -1.26 -5.18 114.94 109.04 2kcc s ASN 3 Ca 0.04 1.11 -0.25 0.00 0.21 0.00 0.00 52.86 53.96 2kcc s ASN 3 Cb -0.01 1.39 0.06 0.00 -0.55 0.00 0.00 41.25 42.14 2kcc s ASN 3 CO 0.73 -0.17 0.59 -1.81 -2.79 0.00 0.00 177.10 173.65 2kcc s ASP 4 N 1.65 -0.55 0.47 -4.21 1.11 -1.26 -5.04 116.67 108.84 2kcc s ASP 4 Ca -0.09 0.27 0.29 0.00 0.18 0.00 0.00 52.55 53.20 2kcc s ASP 4 Cb -0.05 0.54 0.94 0.00 1.07 0.00 0.00 42.92 45.42 2kcc s ASP 4 CO -0.17 -0.77 1.82 1.55 1.18 0.00 0.00 175.17 178.77 2kcc h PRO 5 N 2.58 0.00 -1.62 8.23 0.13 -2.02 -3.26 132.00 136.03 2kcc h PRO 5 Ca -0.31 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.44 2kcc h PRO 5 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 2kcc h PRO 5 CO 0.40 0.00 0.42 0.25 -0.23 0.00 0.00 178.00 178.84 2kcc n THR 6 N -2.99 2.95 -4.09 1.56 -2.24 -1.26 -4.84 114.28 103.37 2kcc n THR 6 Ca 0.02 -2.02 -0.15 0.00 -2.27 0.00 0.00 64.05 59.63 2kcc n THR 6 Cb 0.39 -1.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.35 0.00 -0.12 2.28 -7.23 -1.23 -2.25 120.40 109.50 2kcc s VAL 7 Ca 0.39 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 2kcc s VAL 7 Cb 0.29 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2kcc s VAL 7 CO -0.06 0.00 0.32 -0.22 -0.31 0.00 0.00 175.10 174.83 2kcc s LEU 8 N -3.25 0.75 -0.06 1.32 1.98 -0.92 -4.51 118.68 113.99 2kcc s LEU 8 Ca 0.31 0.64 -0.13 0.00 -2.89 0.00 0.00 54.13 52.05 2kcc s LEU 8 Cb -0.01 1.08 0.03 0.00 0.66 0.00 0.00 46.19 47.95 2kcc s LEU 8 CO 0.21 -0.11 0.32 -0.13 -1.89 0.00 0.00 176.35 174.75 2kcc s ARG 9 N 0.24 0.55 0.44 1.98 0.52 -1.26 -1.98 118.95 119.44 2kcc s ARG 9 Ca -0.01 0.08 -0.24 0.00 -0.52 0.00 0.00 55.73 55.04 2kcc s ARG 9 Cb -0.03 0.25 -0.08 0.00 0.52 0.00 0.00 34.95 35.62 2kcc s ARG 9 CO -0.00 -0.13 1.21 -1.12 0.02 0.00 0.00 175.30 175.28 2kcc s SER 10 N -0.71 6.22 0.35 0.23 0.01 -0.94 -4.86 113.70 114.00 2kcc s SER 10 Ca -0.08 2.43 0.17 0.00 1.31 0.00 0.00 55.95 59.78 2kcc s SER 10 Cb -0.04 -2.62 0.59 0.00 0.21 0.00 0.00 66.02 64.17 2kcc s SER 10 CO 0.03 -0.89 1.70 1.55 0.41 0.00 0.00 173.24 176.03 2kcc h PRO 11 N 2.30 0.00 -3.60 12.44 0.13 -1.93 -2.83 132.00 138.52 2kcc h PRO 11 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 2kcc h PRO 11 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2kcc h PRO 11 CO 0.61 0.42 0.03 -1.12 -0.23 0.00 0.00 178.00 177.71 2kcc s SER 12 N -6.49 0.50 -0.39 1.44 0.01 -1.26 -4.67 113.70 102.84 2kcc s SER 12 Ca 0.00 -1.33 -0.29 0.00 1.31 0.00 0.00 55.95 55.65 2kcc s SER 12 Cb 0.11 0.75 0.01 0.00 0.21 0.00 0.00 66.02 67.10 2kcc s SER 12 CO 0.70 -1.48 1.34 0.00 0.41 0.00 0.00 173.24 174.20 2kcc s ALA 13 N -2.70 3.16 0.00 1.44 0.00 -1.26 -3.64 121.76 118.75 2kcc s ALA 13 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2kcc s ALA 13 Cb -0.03 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2kcc s ALA 13 CO 0.16 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2kcc n GLY 14 N 4.80 4.80 3.64 0.00 0.00 0.04 -4.78 105.19 113.68 2kcc n GLY 14 Ca 0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 4.45 0.71 -0.61 1.61 2.36 -1.24 -2.44 119.74 124.58 2kcc s LYS 15 Ca 0.00 0.96 -0.26 0.00 -2.55 0.00 0.00 55.97 54.11 2kcc s LYS 15 Cb 0.00 0.28 -0.03 0.00 -1.05 0.00 0.00 37.83 37.03 2kcc s LYS 15 CO 0.00 -0.10 1.94 -1.17 1.55 0.00 0.00 175.35 177.57 2kcc s LEU 16 N 0.76 3.30 -0.00 5.43 2.96 -0.77 -0.94 118.68 129.41 2kcc s LEU 16 Ca -0.03 0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 54.08 2kcc s LEU 16 Cb -0.05 -2.53 -0.23 0.00 0.50 0.00 0.00 46.19 43.88 2kcc s LEU 16 CO -0.07 -2.47 1.09 0.00 -1.32 0.00 0.00 176.35 173.59 2kcc h THR 17 N 7.01 1.44 -0.82 3.68 1.03 -1.88 -3.21 112.91 120.17 2kcc h THR 17 Ca -0.25 -2.06 0.00 0.00 -0.01 0.00 0.00 66.41 64.10 2kcc h THR 17 Cb 1.17 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 70.86 2kcc h THR 17 CO 1.21 0.59 0.00 1.67 -0.01 0.00 0.00 175.52 178.98 2kcc n GLN 18 N -4.25 0.00 -3.75 0.00 7.27 -1.25 -4.91 117.38 110.48 2kcc n GLN 18 Ca -0.10 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.84 2kcc n GLN 18 Cb 0.65 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.19 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 -3.27 -0.38 -0.86 3.69 -0.85 -1.26 -3.14 117.35 111.28 2kcc s TYR 19 Ca 0.00 0.93 0.23 0.00 -0.52 0.00 0.00 57.07 57.70 2kcc s TYR 19 Cb 0.00 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.49 2kcc s TYR 19 CO 0.00 -0.19 1.04 0.25 -1.52 0.00 0.00 175.55 175.13 2kcc n THR 20 N 2.88 0.04 -3.76 -3.49 -2.24 -1.13 -4.93 114.28 101.64 2kcc n THR 20 Ca -0.13 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 2kcc n THR 20 Cb 0.58 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.28 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 -3.07 0.01 1.01 2.28 -7.23 -1.19 -4.96 120.40 107.24 2kcc s VAL 21 Ca 0.07 -0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 59.98 2kcc s VAL 21 Cb 0.16 -0.50 0.25 0.00 0.56 0.00 0.00 36.38 36.85 2kcc s VAL 21 CO 0.81 -0.05 0.84 -1.84 -0.31 0.00 0.00 175.10 174.55 2kcc n GLU 22 N 2.59 -2.97 -1.68 4.82 0.28 -1.26 -4.77 120.64 117.66 2kcc n GLU 22 Ca -0.15 -1.35 -0.42 0.00 -0.16 0.00 0.00 57.16 55.08 2kcc n GLU 22 Cb 0.57 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 2kcc n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kcc n ASP 23 N -4.61 4.11 -0.18 -1.84 2.03 -1.26 -1.44 116.55 113.36 2kcc n ASP 23 Ca 0.12 0.94 -0.02 0.00 0.52 0.00 0.00 54.79 56.35 2kcc n ASP 23 Cb 0.47 -1.54 -0.00 0.00 -0.72 0.00 0.00 41.12 39.33 2kcc n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcc n GLY 24 N 4.40 0.38 3.63 0.27 0.00 0.28 -4.95 105.19 109.20 2kcc n GLY 24 Ca 0.19 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.94 1.14 0.01 -0.02 0.00 -0.52 -4.49 107.32 100.49 2kcc s GLY 25 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 2kcc s GLY 25 CO 0.00 3.13 1.90 -1.58 0.00 0.00 0.00 173.10 176.55 2kcc s HIS 26 N 5.55 1.45 -0.08 1.90 2.46 -1.26 -2.48 115.29 122.83 2kcc s HIS 26 Ca 0.76 -0.28 -0.06 0.00 0.47 0.00 0.00 55.06 55.95 2kcc s HIS 26 Cb -0.27 -4.16 0.03 0.00 -0.13 0.00 0.00 32.58 28.05 2kcc s HIS 26 CO 0.31 -5.12 0.21 0.14 -2.47 0.00 0.00 174.74 167.80 2kcc s VAL 27 N 4.45 -0.02 0.59 0.89 -7.23 -0.89 -4.98 120.40 113.21 2kcc s VAL 27 Ca 0.85 0.07 -0.08 0.00 -1.81 0.00 0.00 61.98 61.01 2kcc s VAL 27 Cb -0.40 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.22 2kcc s VAL 27 CO 0.38 0.03 0.93 -1.83 -0.31 0.00 0.00 175.10 174.30 2kcc s GLU 28 N 0.58 3.23 0.07 4.82 -1.05 -1.26 -2.58 118.70 122.51 2kcc s GLU 28 Ca -0.04 0.30 -0.37 0.00 -0.15 0.00 0.00 54.97 54.71 2kcc s GLU 28 Cb -0.05 -2.22 -0.17 0.00 -0.44 0.00 0.00 34.13 31.25 2kcc s GLU 28 CO -0.03 -0.59 1.33 0.00 0.95 0.00 0.00 175.26 176.92 2kcc n ALA 29 N -2.60 -1.11 0.00 -0.84 0.00 -1.22 -0.51 120.51 114.23 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 2.50 3.15 3.71 0.00 0.00 -0.30 -4.94 105.19 109.31 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 -0.15 6.93 0.27 1.61 0.01 0.34 -4.73 113.70 117.98 2kcc s SER 31 Ca 0.00 2.13 -0.29 0.00 1.31 0.00 0.00 55.95 59.09 2kcc s SER 31 Cb 0.00 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 2kcc s SER 31 CO 0.00 -0.61 1.36 -0.94 0.41 0.00 0.00 173.24 173.46 2kcc s SER 32 N 1.33 6.76 -0.00 2.44 1.04 -1.26 -2.69 113.70 121.32 2kcc s SER 32 Ca 0.62 2.62 0.05 0.00 0.48 0.00 0.00 55.95 59.72 2kcc s SER 32 Cb -0.32 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.11 2kcc s SER 32 CO 0.28 -0.59 0.19 0.00 0.98 0.00 0.00 173.24 174.10 2kcc n TYR 33 N 1.77 0.00 -3.56 5.02 0.18 0.28 -4.78 117.16 116.07 2kcc n TYR 33 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 2kcc n TYR 33 Cb 0.41 -0.03 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 -1.26 0.00 -2.63 -3.48 0.00 -0.99 -2.86 120.51 109.29 2kcc n ALA 34 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2kcc n ALA 34 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.82 1.08 -0.20 0.00 2.02 -1.19 -0.02 118.70 118.57 2kcc s GLU 35 Ca 0.00 -1.16 -0.06 0.00 0.02 0.00 0.00 54.97 53.76 2kcc s GLU 35 Cb 0.00 0.36 0.09 0.00 0.10 0.00 0.00 34.13 34.68 2kcc s GLU 35 CO 0.00 -0.38 0.41 0.00 0.02 0.00 0.00 175.26 175.30 2kcc s MET 36 N -3.96 0.31 -0.59 1.61 0.23 -0.66 -3.13 119.30 113.12 2kcc s MET 36 Ca 0.16 0.97 -0.22 0.00 -1.03 0.00 0.00 55.69 55.57 2kcc s MET 36 Cb 0.04 0.24 0.06 0.00 -1.53 0.00 0.00 34.83 33.64 2kcc s MET 36 CO -0.02 -0.29 0.86 -2.00 -2.03 0.00 0.00 175.02 171.54 2kcc s GLU 37 N 2.60 3.17 0.52 3.16 2.12 -0.12 -2.67 118.70 127.48 2kcc s GLU 37 Ca -0.00 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 2kcc s GLU 37 Cb -0.12 -4.16 0.02 0.00 0.26 0.00 0.00 34.13 30.13 2kcc s GLU 37 CO -0.13 -1.57 0.77 0.54 -0.54 0.00 0.00 175.26 174.33 2kcc s VAL 38 N 3.59 3.39 0.59 3.70 0.11 -1.05 -3.64 120.40 127.11 2kcc s VAL 38 Ca 0.22 -0.45 0.29 0.00 -2.93 0.00 0.00 61.98 59.11 2kcc s VAL 38 Cb -0.17 -3.29 0.36 0.00 -1.53 0.00 0.00 36.38 31.76 2kcc s VAL 38 CO 0.13 -0.23 2.04 0.24 -3.33 0.00 0.00 175.10 173.95 2kcc h MET 39 N 0.12 0.00 0.00 1.54 0.00 -1.95 -3.16 114.93 111.48 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 0.56 0.00 0.00 1.63 0.00 0.00 0.00 176.91 179.10 2kcc n LYS 40 N -3.72 0.00 -3.01 1.72 4.76 -1.26 -5.07 118.16 111.59 2kcc n LYS 40 Ca 0.03 0.20 -0.08 0.00 -2.87 0.00 0.00 58.31 55.58 2kcc n LYS 40 Cb 0.41 -0.78 -0.01 0.00 -1.84 0.00 0.00 35.03 32.81 2kcc n LYS 40 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kcc n MET 41 N -1.09 0.52 -2.91 1.97 2.81 -1.19 -5.16 117.12 112.06 2kcc n MET 41 Ca 0.00 -1.69 -0.35 0.00 -1.81 0.00 0.00 57.70 53.86 2kcc n MET 41 Cb 0.00 1.73 -0.07 0.00 -0.71 0.00 0.00 33.22 34.18 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 -2.61 4.42 0.10 2.02 1.10 -1.26 -2.52 121.20 122.44 2kcc s ILE 42 Ca 0.16 1.46 -0.06 0.00 -0.51 0.00 0.00 60.65 61.70 2kcc s ILE 42 Cb -0.01 -3.77 -0.01 0.00 0.15 0.00 0.00 42.46 38.81 2kcc s ILE 42 CO 0.12 -0.06 0.15 -0.04 -2.11 0.00 0.00 174.94 172.99 2kcc s MET 43 N -2.58 0.85 -0.08 3.50 -1.94 -1.09 -4.98 119.30 112.98 2kcc s MET 43 Ca 0.54 -1.09 0.05 0.00 -1.71 0.00 0.00 55.69 53.47 2kcc s MET 43 Cb -0.14 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 37.01 2kcc s MET 43 CO 0.19 -0.26 -0.24 0.99 -0.01 0.00 0.00 175.02 175.68 2kcc s THR 44 N -3.91 2.07 -0.06 2.05 2.01 -1.26 -1.65 115.64 114.89 2kcc s THR 44 Ca 0.09 -1.04 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 2kcc s THR 44 Cb 0.05 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 2kcc s THR 44 CO -0.08 0.56 0.45 -0.76 -0.69 0.00 0.00 174.62 174.11 2kcc s LEU 45 N 0.11 4.37 0.34 4.42 1.02 0.97 -4.94 118.68 124.96 2kcc s LEU 45 Ca -0.12 0.89 0.03 0.00 0.02 0.00 0.00 54.13 54.96 2kcc s LEU 45 Cb -0.16 -2.66 -0.05 0.00 0.02 0.00 0.00 46.19 43.34 2kcc s LEU 45 CO 0.07 0.14 0.08 0.54 0.02 0.00 0.00 176.35 177.20 2kcc s ASN 46 N -0.12 2.30 0.20 2.29 2.20 -1.26 0.10 114.94 120.64 2kcc s ASN 46 Ca 0.25 -1.46 -0.06 0.00 -0.94 0.00 0.00 52.86 50.64 2kcc s ASN 46 Cb -0.16 0.13 -0.06 0.00 -2.00 0.00 0.00 41.25 39.16 2kcc s ASN 46 CO 0.12 -0.72 0.47 0.68 -2.94 0.00 0.00 177.10 174.70 2kcc s VAL 47 N -3.35 5.06 -0.64 3.54 -7.23 -1.09 -4.85 120.40 111.83 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 0.07 -3.64 0.11 0.00 0.56 0.00 0.00 36.38 33.48 2kcc s VAL 47 CO 0.15 -0.06 1.43 0.06 -0.31 0.00 0.00 175.10 176.36 2kcc h GLN 48 N 2.52 0.00 -3.44 4.82 -0.00 -1.92 -0.78 115.11 116.32 2kcc h GLN 48 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.17 2kcc h GLN 48 Cb 1.17 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 28.57 2kcc h GLN 48 CO 0.70 0.00 -0.00 -1.21 -0.00 0.00 0.00 178.83 178.32 2kcc s GLU 49 N -3.16 1.62 0.23 0.06 2.02 -1.26 -4.78 118.70 113.42 2kcc s GLU 49 Ca 0.07 -1.16 -0.30 0.00 0.02 0.00 0.00 54.97 53.60 2kcc s GLU 49 Cb 0.13 0.52 -0.09 0.00 0.10 0.00 0.00 34.13 34.78 2kcc s GLU 49 CO 0.69 -0.70 1.33 1.03 0.02 0.00 0.00 175.26 177.63 2kcc s ARG 50 N -3.98 4.37 0.00 1.61 3.00 -1.26 -3.46 118.95 119.23 2kcc s ARG 50 Ca 0.18 2.12 0.00 0.00 0.00 0.00 0.00 55.73 58.03 2kcc s ARG 50 Cb -0.02 -3.16 0.00 0.00 0.00 0.00 0.00 34.95 31.76 2kcc s ARG 50 CO 0.08 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.53 2kcc n GLY 51 N 2.12 -0.05 3.62 -3.53 0.00 -1.07 -4.49 105.19 101.80 2kcc n GLY 51 Ca 0.05 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 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 4.07 -0.03 1.61 0.52 -1.21 -2.09 118.95 119.81 2kcc s ARG 52 Ca 0.00 0.13 -0.28 0.00 -0.52 0.00 0.00 55.73 55.06 2kcc s ARG 52 Cb 0.00 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.82 2kcc s ARG 52 CO 0.00 -0.23 0.90 0.08 0.02 0.00 0.00 175.30 176.07 2kcc s VAL 53 N 1.93 4.91 -0.29 3.52 1.01 -1.03 -0.74 120.40 129.70 2kcc s VAL 53 Ca 0.17 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 64.03 2kcc s VAL 53 Cb -0.15 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kcc s VAL 53 CO 0.09 0.17 -0.03 -0.54 0.00 0.00 0.00 175.10 174.79 2kcc s LYS 54 N 1.09 2.37 0.28 2.72 1.02 -1.12 0.10 119.74 126.20 2kcc s LYS 54 Ca 0.47 -1.30 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 2kcc s LYS 54 Cb -0.20 -3.11 -0.12 0.00 -0.52 0.00 0.00 37.83 33.88 2kcc s LYS 54 CO 0.24 -0.61 1.52 0.66 -0.92 0.00 0.00 175.35 176.24 2kcc n TYR 55 N 4.57 2.60 -0.05 3.18 4.02 -1.26 -1.08 117.16 129.14 2kcc n TYR 55 Ca -0.13 0.32 -0.07 0.00 -0.01 0.00 0.00 57.90 58.02 2kcc n TYR 55 Cb 0.43 -2.55 -0.02 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 2.01 1.41 -1.33 -0.72 -0.00 -1.16 -4.90 119.36 114.66 2kcc n ILE 56 Ca 0.09 0.21 -0.29 0.00 -0.00 0.00 0.00 62.75 62.77 2kcc n ILE 56 Cb 0.35 -2.14 0.15 0.00 -0.00 0.00 0.00 39.64 38.00 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 -2.64 0.90 0.48 0.38 -0.14 -1.25 -5.04 119.74 112.42 2kcc s LYS 57 Ca -0.21 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 2kcc s LYS 57 Cb 0.03 -1.79 0.00 0.00 -1.68 0.00 0.00 37.83 34.39 2kcc s LYS 57 CO 0.31 -2.40 0.70 1.03 -0.76 0.00 0.00 175.35 174.23 2kcc s ARG 58 N -5.08 2.95 0.20 1.68 3.00 -1.26 -5.04 118.95 115.39 2kcc s ARG 58 Ca 0.64 -0.53 -0.30 0.00 0.00 0.00 0.00 55.73 55.54 2kcc s ARG 58 Cb -0.17 -2.53 -0.09 0.00 0.00 0.00 0.00 34.95 32.16 2kcc s ARG 58 CO 0.56 -0.38 1.40 -1.25 0.00 0.00 0.00 175.30 175.63 2kcc s PRO 59 N -4.62 4.31 0.00 3.54 0.04 -1.26 -2.60 135.00 134.42 2kcc s PRO 59 Ca 0.50 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2kcc s PRO 59 Cb -0.10 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2kcc s PRO 59 CO 0.38 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2kcc n GLY 60 N 2.62 3.21 3.71 0.56 0.00 -1.21 -5.02 105.19 109.06 2kcc n GLY 60 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.96 1.56 -2.62 4.61 0.00 -1.07 -4.39 120.51 117.65 2kcc n ALA 61 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 2kcc n ALA 61 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.12 2kcc n ALA 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kcc s VAL 62 N -0.89 4.62 0.41 0.00 -7.23 -1.26 -1.84 120.40 114.20 2kcc s VAL 62 Ca 0.57 1.89 -0.15 0.00 -1.81 0.00 0.00 61.98 62.48 2kcc s VAL 62 Cb -0.56 -4.21 -0.08 0.00 0.56 0.00 0.00 36.38 32.09 2kcc s VAL 62 CO 0.60 0.07 0.83 -0.76 -0.31 0.00 0.00 175.10 175.53 2kcc s LEU 63 N 1.60 3.87 0.16 1.32 2.01 -1.02 -4.91 118.68 121.71 2kcc s LEU 63 Ca 0.52 1.35 0.08 0.00 0.01 0.00 0.00 54.13 56.09 2kcc s LEU 63 Cb -0.22 -4.21 -0.04 0.00 0.01 0.00 0.00 46.19 41.73 2kcc s LEU 63 CO 0.23 -0.37 -0.18 -1.61 1.01 0.00 0.00 176.35 175.43 2kcc s GLU 64 N -3.54 1.24 -0.76 1.70 2.02 -1.26 -0.78 118.70 117.32 2kcc s GLU 64 Ca 0.55 -1.37 -0.26 0.00 0.02 0.00 0.00 54.97 53.91 2kcc s GLU 64 Cb -0.10 -1.30 -0.12 0.00 0.10 0.00 0.00 34.13 32.72 2kcc s GLU 64 CO 0.25 0.27 2.35 0.00 0.02 0.00 0.00 175.26 178.14 2kcc s ALA 65 N -1.98 0.95 0.00 5.21 0.00 -1.24 -0.82 121.76 123.89 2kcc s ALA 65 Ca 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2kcc s ALA 65 Cb -0.06 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2kcc s ALA 65 CO 0.06 -5.56 0.00 0.41 0.00 0.00 0.00 175.76 170.67 2kcc n GLY 66 N 6.69 1.94 3.76 0.00 0.00 -1.07 -4.94 105.19 111.57 2kcc n GLY 66 Ca 0.44 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.37 4.09 -0.27 0.00 1.01 -1.26 -2.22 120.40 120.38 2kcc s VAL 68 Ca 0.65 0.71 0.19 0.00 0.00 0.00 0.00 61.98 63.54 2kcc s VAL 68 Cb -0.36 -4.70 0.13 0.00 0.00 0.00 0.00 36.38 31.45 2kcc s VAL 68 CO 0.44 -1.32 1.37 -0.37 0.00 0.00 0.00 175.10 175.22 2kcc h VAL 69 N 6.12 0.37 -1.14 2.92 -1.51 -1.73 -3.38 116.25 117.90 2kcc h VAL 69 Ca -0.25 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 2kcc h VAL 69 Cb 1.06 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 2kcc h VAL 69 CO 1.17 0.21 0.00 0.00 -1.23 0.00 0.00 177.57 177.72 2kcc n ALA 70 N -2.19 0.00 -4.20 5.19 0.00 -1.15 -3.00 120.51 115.16 2kcc n ALA 70 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 2kcc n ALA 70 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 0.41 -3.68 0.00 5.12 -0.24 -2.16 116.66 116.11 2kcc n ARG 71 Ca 0.00 -3.18 -0.16 0.00 -1.93 0.00 0.00 57.85 52.57 2kcc n ARG 71 Cb 0.00 2.64 -0.16 0.00 -1.16 0.00 0.00 32.46 33.78 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 0.08 -1.20 0.55 2.01 -0.96 -2.79 118.68 116.36 2kcc s LEU 72 Ca 0.38 0.31 -0.12 0.00 0.01 0.00 0.00 54.13 54.71 2kcc s LEU 72 Cb 0.02 0.26 0.20 0.00 0.01 0.00 0.00 46.19 46.67 2kcc s LEU 72 CO 0.27 -0.23 1.46 1.21 1.01 0.00 0.00 176.35 180.07 2kcc n GLU 73 N 5.13 3.50 -1.76 1.70 4.07 0.08 -4.43 120.64 128.94 2kcc n GLU 73 Ca -0.08 -3.94 -0.43 0.00 -0.06 0.00 0.00 57.16 52.65 2kcc n GLU 73 Cb 0.50 -2.91 -0.03 0.00 -0.06 0.00 0.00 31.44 28.94 2kcc n GLU 73 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2kcc s LEU 74 N 0.54 3.65 -1.06 4.31 1.43 -1.26 -3.35 118.68 122.94 2kcc s LEU 74 Ca 0.40 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 2kcc s LEU 74 Cb -0.01 -3.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 2kcc s LEU 74 CO -0.01 -1.69 2.21 -0.67 0.23 0.00 0.00 176.35 176.42 2kcc n ASP 75 N 10.40 4.66 -4.62 2.29 2.03 -1.26 -4.90 116.55 125.15 2kcc n ASP 75 Ca 0.26 -2.54 -0.43 0.00 0.52 0.00 0.00 54.79 52.59 2kcc n ASP 75 Cb 0.45 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 39.57 2kcc n ASP 75 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kcc s ASP 76 N 3.66 6.66 -0.16 1.67 -4.77 -1.26 -4.90 116.67 117.56 2kcc s ASP 76 Ca 0.51 1.04 -0.22 0.00 -3.30 0.00 0.00 52.55 50.57 2kcc s ASP 76 Cb 0.13 -2.54 -0.23 0.00 -1.09 0.00 0.00 42.92 39.19 2kcc s ASP 76 CO -0.00 -1.12 0.46 0.25 0.70 0.00 0.00 175.17 175.46 2kcc h LEU 77 N 10.99 0.09 -7.07 2.11 5.85 -2.04 -3.49 115.31 121.74 2kcc h LEU 77 Ca -0.25 -0.74 0.10 0.00 0.84 0.00 0.00 57.88 57.83 2kcc h LEU 77 Cb 1.09 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.95 2kcc h LEU 77 CO 1.05 1.38 0.45 -0.70 -0.34 0.00 0.00 178.44 180.28 2kcc s GLU 78 N -2.35 0.94 -0.04 1.25 -6.30 -1.26 -5.17 118.70 105.76 2kcc s GLU 78 Ca -0.24 -0.37 0.03 0.00 -2.50 0.00 0.00 54.97 51.89 2kcc s GLU 78 Cb 0.03 0.42 0.01 0.00 0.00 0.00 0.00 34.13 34.58 2kcc s GLU 78 CO 0.66 -0.41 -0.12 -3.38 0.02 0.00 0.00 175.26 172.04 2kcc s HIS 79 N -3.24 1.28 0.00 5.30 -3.43 -1.26 -5.08 115.29 108.86 2kcc s HIS 79 Ca 0.05 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 53.92 2kcc s HIS 79 Cb -0.01 -0.92 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 2kcc s HIS 79 CO -0.08 -0.18 0.56 0.72 -2.00 0.00 0.00 174.74 173.75 2kcc n HIS 80 N 3.49 0.00 -3.58 0.38 8.25 -1.26 -4.86 115.22 117.64 2kcc n HIS 80 Ca -0.20 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.03 2kcc n HIS 80 Cb 0.53 -0.21 0.08 0.00 1.12 0.00 0.00 29.99 31.51 2kcc n HIS 80 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcc n HIS 81 N -1.12 -2.66 -2.96 4.41 -0.00 -1.26 -1.80 115.22 109.83 2kcc n HIS 81 Ca 0.00 0.99 -0.21 0.00 -0.00 0.00 0.00 57.72 58.50 2kcc n HIS 81 Cb 0.00 -4.98 0.03 0.00 -0.00 0.00 0.00 29.99 25.04 2kcc n HIS 81 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcc n HIS 82 N -4.76 -1.82 -4.17 1.57 8.25 -1.26 -5.00 115.22 108.03 2kcc n HIS 82 Ca -0.07 0.49 -0.29 0.00 -0.26 0.00 0.00 57.72 57.58 2kcc n HIS 82 Cb 0.59 -4.26 -0.08 0.00 1.12 0.00 0.00 29.99 27.35 2kcc n HIS 82 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcc s HIS 83 N -3.14 2.90 -2.11 4.41 5.04 -0.75 -5.30 115.29 116.34 2kcc s HIS 83 Ca 0.28 -0.08 0.17 0.00 -1.54 0.00 0.00 55.06 53.89 2kcc s HIS 83 Cb -0.12 -1.48 0.13 0.00 0.04 0.00 0.00 32.58 31.15 2kcc s HIS 83 CO 0.35 0.47 1.04 1.58 -2.34 0.00 0.00 174.74 175.84