#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 2.66 -1.12 0.03 0.41 -1.26 -4.86 118.70 114.55 2kcc s GLU 2 Ca 0.00 -0.99 -0.11 0.00 -0.41 0.00 0.00 54.97 53.46 2kcc s GLU 2 Cb 0.00 -5.22 0.23 0.00 -1.78 0.00 0.00 34.13 27.36 2kcc s GLU 2 CO 0.00 -3.63 1.21 1.21 -0.49 0.00 0.00 175.26 173.56 2kcc s ASN 3 N 6.69 7.17 0.63 -0.19 3.84 -1.26 -4.95 114.94 126.88 2kcc s ASN 3 Ca 0.67 -3.27 0.00 0.00 0.21 0.00 0.00 52.86 50.47 2kcc s ASN 3 Cb -0.02 -2.29 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 2kcc s ASN 3 CO 0.08 -0.50 0.00 -0.67 -2.79 0.00 0.00 177.10 173.22 2kcc n ASP 4 N 4.01 -8.23 0.05 -4.21 2.03 -1.26 -4.46 116.55 104.47 2kcc n ASP 4 Ca 0.28 1.65 0.13 0.00 0.52 0.00 0.00 54.79 57.37 2kcc n ASP 4 Cb 0.41 -5.16 0.51 0.00 -0.72 0.00 0.00 41.12 36.17 2kcc n ASP 4 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2kcc n PRO 5 N -3.82 0.13 -1.24 -0.67 -0.04 -1.26 -3.89 135.00 124.21 2kcc n PRO 5 Ca -0.07 0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 2kcc n PRO 5 Cb 0.63 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2kcc n PRO 5 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kcc n THR 6 N -1.87 3.12 -4.11 0.52 -2.24 -1.26 -4.81 114.28 103.62 2kcc n THR 6 Ca 0.06 -2.44 -0.11 0.00 -2.27 0.00 0.00 64.05 59.29 2kcc n THR 6 Cb 0.38 -1.45 -0.08 0.00 -2.10 0.00 0.00 70.33 67.08 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 -2.47 0.00 -0.39 2.28 -7.23 -1.25 -2.64 120.40 108.69 2kcc s VAL 7 Ca 0.47 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2kcc s VAL 7 Cb 0.33 -2.38 0.16 0.00 0.56 0.00 0.00 36.38 35.05 2kcc s VAL 7 CO -0.12 0.00 0.42 -0.22 -0.31 0.00 0.00 175.10 174.87 2kcc s LEU 8 N -3.11 -0.13 0.13 1.32 1.98 -0.76 -4.60 118.68 113.52 2kcc s LEU 8 Ca 0.32 -1.70 -0.11 0.00 -2.89 0.00 0.00 54.13 49.76 2kcc s LEU 8 Cb 0.03 0.67 -0.06 0.00 0.66 0.00 0.00 46.19 47.49 2kcc s LEU 8 CO 0.11 -0.23 0.46 -0.13 -1.89 0.00 0.00 176.35 174.68 2kcc s ARG 9 N 1.26 3.81 0.51 1.98 0.52 -1.26 -0.37 118.95 125.41 2kcc s ARG 9 Ca 0.19 0.25 -0.21 0.00 -0.52 0.00 0.00 55.73 55.44 2kcc s ARG 9 Cb -0.12 -2.91 -0.06 0.00 0.52 0.00 0.00 34.95 32.38 2kcc s ARG 9 CO -0.04 0.49 1.19 -1.54 0.02 0.00 0.00 175.30 175.42 2kcc s SER 10 N -1.91 5.77 0.20 0.23 1.04 0.79 -4.80 113.70 115.02 2kcc s SER 10 Ca 0.37 2.36 -0.01 0.00 0.48 0.00 0.00 55.95 59.15 2kcc s SER 10 Cb -0.14 -2.60 0.15 0.00 0.10 0.00 0.00 66.02 63.53 2kcc s SER 10 CO 0.19 -1.20 1.52 1.55 0.98 0.00 0.00 173.24 176.29 2kcc h PRO 11 N 1.58 0.48 0.00 4.02 0.13 -1.90 -2.07 132.00 134.24 2kcc h PRO 11 Ca -0.50 -0.31 -0.14 0.00 -0.87 0.00 0.00 66.00 64.19 2kcc h PRO 11 Cb 1.27 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2kcc h PRO 11 CO 0.58 0.91 0.01 -1.13 -0.23 0.00 0.00 178.00 178.14 2kcc n SER 12 N -3.94 -1.25 -4.61 1.44 3.41 -1.26 -4.50 113.62 102.91 2kcc n SER 12 Ca -0.03 -2.30 -0.43 0.00 -0.26 0.00 0.00 58.87 55.86 2kcc n SER 12 Cb 0.60 2.20 -0.02 0.00 -0.26 0.00 0.00 64.21 66.73 2kcc n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kcc s ALA 13 N -2.20 3.17 0.00 7.33 0.00 -1.26 -3.35 121.76 125.45 2kcc s ALA 13 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2kcc s ALA 13 Cb -0.02 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2kcc s ALA 13 CO 0.13 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.13 2kcc n GLY 14 N 4.79 5.31 3.63 0.00 0.00 0.29 -4.78 105.19 114.43 2kcc n GLY 14 Ca 0.15 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 4.70 0.74 -0.70 1.61 2.36 -1.25 -2.05 119.74 125.15 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 1.98 -1.17 1.55 0.00 0.00 175.35 177.62 2kcc s LEU 16 N 0.39 3.23 0.07 5.43 2.96 -0.69 -1.81 118.68 128.27 2kcc s LEU 16 Ca 0.00 0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 2kcc s LEU 16 Cb -0.05 -2.54 -0.23 0.00 0.50 0.00 0.00 46.19 43.87 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 1.30 -0.96 3.68 1.03 -1.87 -3.27 112.91 119.96 2kcc h THR 17 Ca -0.13 -2.21 0.00 0.00 -0.01 0.00 0.00 66.41 64.06 2kcc h THR 17 Cb 1.11 2.40 0.00 0.00 -1.07 0.00 0.00 68.15 70.59 2kcc h THR 17 CO 1.20 0.68 0.00 0.00 -0.01 0.00 0.00 175.52 177.39 2kcc n GLN 18 N -3.91 0.00 -3.75 0.00 10.64 -1.24 -4.96 117.38 114.16 2kcc n GLN 18 Ca -0.11 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.93 2kcc n GLN 18 Cb 0.85 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 30.13 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 -3.86 -0.36 -0.41 2.61 -0.85 -1.26 -3.18 117.35 110.04 2kcc s TYR 19 Ca 0.00 0.84 0.22 0.00 -0.52 0.00 0.00 57.07 57.61 2kcc s TYR 19 Cb 0.00 0.13 -0.12 0.00 0.38 0.00 0.00 41.96 42.35 2kcc s TYR 19 CO 0.00 -0.24 0.84 0.25 -1.52 0.00 0.00 175.55 174.88 2kcc n THR 20 N 2.54 0.16 -3.76 -3.49 -2.24 -1.01 -4.91 114.28 101.58 2kcc n THR 20 Ca -0.15 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 2kcc n THR 20 Cb 0.57 0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 -3.30 0.02 0.92 2.28 -7.23 -1.16 -4.95 120.40 106.97 2kcc s VAL 21 Ca -0.00 -0.18 -0.15 0.00 -1.81 0.00 0.00 61.98 59.83 2kcc s VAL 21 Cb 0.14 -0.53 0.23 0.00 0.56 0.00 0.00 36.38 36.77 2kcc s VAL 21 CO 0.84 -0.10 0.77 -1.84 -0.31 0.00 0.00 175.10 174.46 2kcc n GLU 22 N 2.27 -2.79 -1.68 4.82 0.28 -1.26 -4.77 120.64 117.50 2kcc n GLU 22 Ca -0.16 -1.23 -0.42 0.00 -0.16 0.00 0.00 57.16 55.18 2kcc n GLU 22 Cb 0.57 -1.21 -0.03 0.00 1.43 0.00 0.00 31.44 32.20 2kcc n GLU 22 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2kcc n ASP 23 N -4.46 4.08 -0.37 -1.84 5.75 -1.26 -1.40 116.55 117.06 2kcc n ASP 23 Ca 0.11 0.97 -0.04 0.00 -0.01 0.00 0.00 54.79 55.82 2kcc n ASP 23 Cb 0.43 -1.54 -0.01 0.00 -1.03 0.00 0.00 41.12 38.96 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 4.30 0.43 3.62 6.12 0.00 0.23 -4.95 105.19 114.95 2kcc n GLY 24 Ca 0.18 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.89 1.09 0.03 -0.02 0.00 -0.49 -4.51 107.32 100.52 2kcc s GLY 25 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 2kcc s GLY 25 CO 0.00 3.14 1.85 -2.38 0.00 0.00 0.00 173.10 175.71 2kcc s HIS 26 N 5.75 1.63 -0.08 1.90 -3.43 -1.26 -2.54 115.29 117.25 2kcc s HIS 26 Ca 0.76 -0.20 -0.06 0.00 -0.80 0.00 0.00 55.06 54.76 2kcc s HIS 26 Cb -0.26 -4.14 0.03 0.00 -1.43 0.00 0.00 32.58 26.79 2kcc s HIS 26 CO 0.31 -4.96 0.21 0.14 -2.00 0.00 0.00 174.74 168.44 2kcc s VAL 27 N 4.03 -0.02 0.59 -5.38 -7.23 -0.87 -4.98 120.40 106.55 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 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 2kcc s VAL 27 CO 0.37 0.02 0.93 -1.83 -0.31 0.00 0.00 175.10 174.29 2kcc s GLU 28 N 0.53 3.20 0.10 4.82 -1.05 -1.26 -2.64 118.70 122.40 2kcc s GLU 28 Ca -0.03 0.27 -0.36 0.00 -0.15 0.00 0.00 54.97 54.70 2kcc s GLU 28 Cb -0.05 -2.22 -0.17 0.00 -0.44 0.00 0.00 34.13 31.26 2kcc s GLU 28 CO -0.03 -0.61 1.29 0.00 0.95 0.00 0.00 175.26 176.86 2kcc n ALA 29 N -2.61 -1.09 0.00 -0.84 0.00 -1.23 -0.62 120.51 114.12 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 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 2.37 3.11 3.70 0.00 0.00 -0.43 -4.95 105.19 108.99 2kcc n GLY 30 Ca 0.18 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 -0.08 6.92 0.28 1.61 0.01 0.20 -4.75 113.70 117.90 2kcc s SER 31 Ca 0.00 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.06 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 -0.64 1.35 -0.94 0.41 0.00 0.00 173.24 173.42 2kcc s SER 32 N 1.51 6.76 -0.00 2.44 1.04 -1.26 -2.82 113.70 121.37 2kcc s SER 32 Ca 0.62 2.63 0.06 0.00 0.48 0.00 0.00 55.95 59.74 2kcc s SER 32 Cb -0.31 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.10 2kcc s SER 32 CO 0.27 -0.58 0.21 0.00 0.98 0.00 0.00 173.24 174.12 2kcc n TYR 33 N 1.58 0.00 -3.72 5.02 0.18 0.21 -4.75 117.16 115.68 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 0.41 -0.04 0.01 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 -1.32 -0.94 -2.62 -3.48 0.00 -0.98 -2.40 120.51 108.77 2kcc n ALA 34 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 2kcc n ALA 34 Cb 0.11 0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 1.03 -0.19 0.00 2.02 -1.19 -0.05 118.70 118.31 2kcc s GLU 35 Ca 0.08 -1.11 -0.07 0.00 0.02 0.00 0.00 54.97 53.88 2kcc s GLU 35 Cb -0.01 0.36 0.08 0.00 0.10 0.00 0.00 34.13 34.66 2kcc s GLU 35 CO 0.01 -0.36 0.41 0.00 0.02 0.00 0.00 175.26 175.34 2kcc s MET 36 N -3.93 0.33 -0.49 1.61 0.23 0.33 -2.98 119.30 114.41 2kcc s MET 36 Ca 0.13 0.97 -0.22 0.00 -1.03 0.00 0.00 55.69 55.54 2kcc s MET 36 Cb 0.04 0.23 0.04 0.00 -1.53 0.00 0.00 34.83 33.61 2kcc s MET 36 CO -0.04 -0.23 0.75 -2.00 -2.03 0.00 0.00 175.02 171.48 2kcc s GLU 37 N 2.32 3.29 0.58 3.16 2.12 -0.75 -1.87 118.70 127.55 2kcc s GLU 37 Ca -0.03 -0.40 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 2kcc s GLU 37 Cb -0.11 -4.01 0.04 0.00 0.26 0.00 0.00 34.13 30.31 2kcc s GLU 37 CO -0.13 -1.22 0.82 0.08 -0.54 0.00 0.00 175.26 174.28 2kcc s VAL 38 N 3.19 2.58 0.54 3.70 1.01 -0.73 -3.78 120.40 126.91 2kcc s VAL 38 Ca 0.25 -0.60 0.22 0.00 0.00 0.00 0.00 61.98 61.85 2kcc s VAL 38 Cb -0.14 -2.98 0.33 0.00 0.00 0.00 0.00 36.38 33.58 2kcc s VAL 38 CO 0.18 0.00 2.11 0.24 0.00 0.00 0.00 175.10 177.63 2kcc h MET 39 N -0.06 0.00 0.00 2.72 0.00 -1.97 -3.21 114.93 112.41 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 0.53 0.00 0.00 1.17 0.00 0.00 0.00 176.91 178.61 2kcc n LYS 40 N -4.31 0.00 -2.42 1.72 3.00 -1.26 -5.06 118.16 109.82 2kcc n LYS 40 Ca 0.01 0.36 -0.05 0.00 -0.00 0.00 0.00 58.31 58.63 2kcc n LYS 40 Cb 0.26 -0.93 -0.01 0.00 0.00 0.00 0.00 35.03 34.36 2kcc n LYS 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2kcc n MET 41 N -1.59 0.33 -2.91 1.64 1.56 -1.21 -5.16 117.12 109.77 2kcc n MET 41 Ca 0.00 -1.06 -0.33 0.00 -0.27 0.00 0.00 57.70 56.04 2kcc n MET 41 Cb 0.00 1.09 -0.06 0.00 2.15 0.00 0.00 33.22 36.40 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 -2.60 4.52 0.04 1.12 1.10 -1.26 -1.77 121.20 122.34 2kcc s ILE 42 Ca 0.10 1.25 -0.07 0.00 -0.51 0.00 0.00 60.65 61.42 2kcc s ILE 42 Cb -0.01 -3.61 -0.01 0.00 0.15 0.00 0.00 42.46 38.98 2kcc s ILE 42 CO 0.07 -0.30 0.13 -0.04 -2.11 0.00 0.00 174.94 172.70 2kcc s MET 43 N -3.18 0.63 -0.09 3.50 -1.94 -0.78 -4.94 119.30 112.49 2kcc s MET 43 Ca 0.59 -0.71 0.04 0.00 -1.71 0.00 0.00 55.69 53.90 2kcc s MET 43 Cb -0.10 0.25 -0.00 0.00 2.01 0.00 0.00 34.83 36.99 2kcc s MET 43 CO 0.16 -0.17 -0.24 0.99 -0.01 0.00 0.00 175.02 175.75 2kcc s THR 44 N -2.61 2.06 -0.08 2.05 2.01 -1.26 -0.51 115.64 117.30 2kcc s THR 44 Ca -0.05 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.76 2kcc s THR 44 Cb -0.01 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 2kcc s THR 44 CO -0.04 0.56 0.43 -0.76 -0.69 0.00 0.00 174.62 174.12 2kcc s LEU 45 N 0.24 4.34 0.36 4.42 1.02 0.92 -4.94 118.68 125.03 2kcc s LEU 45 Ca -0.16 0.84 0.03 0.00 0.02 0.00 0.00 54.13 54.86 2kcc s LEU 45 Cb -0.17 -2.62 -0.05 0.00 0.02 0.00 0.00 46.19 43.37 2kcc s LEU 45 CO 0.08 0.12 0.09 0.54 0.02 0.00 0.00 176.35 177.20 2kcc s ASN 46 N 0.02 2.46 0.17 2.29 2.20 -1.26 0.67 114.94 121.48 2kcc s ASN 46 Ca 0.24 -1.50 -0.07 0.00 -0.94 0.00 0.00 52.86 50.59 2kcc s ASN 46 Cb -0.15 0.19 -0.06 0.00 -2.00 0.00 0.00 41.25 39.22 2kcc s ASN 46 CO 0.11 -0.75 0.44 0.68 -2.94 0.00 0.00 177.10 174.63 2kcc s VAL 47 N -3.30 5.08 -0.61 3.54 -7.23 -1.13 -4.86 120.40 111.90 2kcc s VAL 47 Ca 0.31 0.20 0.24 0.00 -1.81 0.00 0.00 61.98 60.93 2kcc s VAL 47 Cb 0.06 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.50 2kcc s VAL 47 CO 0.15 0.01 1.42 0.06 -0.31 0.00 0.00 175.10 176.42 2kcc h GLN 48 N 2.75 0.00 -3.44 4.82 -0.00 -1.92 -1.15 115.11 116.16 2kcc h GLN 48 Ca -0.46 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 0.71 0.00 -0.00 -1.21 -0.00 0.00 0.00 178.83 178.33 2kcc s GLU 49 N -3.17 1.65 0.24 0.06 2.02 -1.26 -4.79 118.70 113.45 2kcc s GLU 49 Ca 0.07 -1.18 -0.30 0.00 0.02 0.00 0.00 54.97 53.57 2kcc s GLU 49 Cb 0.12 0.52 -0.09 0.00 0.10 0.00 0.00 34.13 34.77 2kcc s GLU 49 CO 0.70 -0.71 1.32 1.03 0.02 0.00 0.00 175.26 177.62 2kcc s ARG 50 N -3.93 4.37 0.00 1.61 3.00 -1.26 -3.50 118.95 119.24 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 -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.78 2kcc s ARG 50 CO 0.09 -0.24 0.00 0.41 0.00 0.00 0.00 175.30 175.55 2kcc n GLY 51 N 1.90 0.00 3.61 -3.53 0.00 -1.08 -4.72 105.19 101.37 2kcc n GLY 51 Ca 0.04 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 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 4.04 -0.00 1.61 3.00 -1.21 -2.05 118.95 122.34 2kcc s ARG 52 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 55.73 55.54 2kcc s ARG 52 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 34.95 31.27 2kcc s ARG 52 CO 0.00 -0.26 0.89 0.08 0.00 0.00 0.00 175.30 176.00 2kcc s VAL 53 N 2.02 4.86 -0.28 3.52 1.01 -1.05 0.60 120.40 131.07 2kcc s VAL 53 Ca 0.16 1.86 -0.00 0.00 0.00 0.00 0.00 61.98 64.00 2kcc s VAL 53 Cb -0.16 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kcc s VAL 53 CO 0.10 0.22 -0.04 -0.54 0.00 0.00 0.00 175.10 174.83 2kcc s LYS 54 N 0.75 2.41 0.26 2.72 1.02 -1.08 0.74 119.74 126.55 2kcc s LYS 54 Ca 0.46 -1.27 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 2kcc s LYS 54 Cb -0.20 -3.07 -0.12 0.00 -0.52 0.00 0.00 37.83 33.91 2kcc s LYS 54 CO 0.25 -0.58 1.57 0.66 -0.92 0.00 0.00 175.35 176.33 2kcc n TYR 55 N 4.57 2.62 -0.07 3.18 4.02 -1.26 -1.06 117.16 129.15 2kcc n TYR 55 Ca -0.14 0.27 -0.10 0.00 -0.01 0.00 0.00 57.90 57.92 2kcc n TYR 55 Cb 0.43 -2.57 -0.03 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 2.47 1.37 -1.33 -0.72 -0.00 -1.16 -4.91 119.36 115.09 2kcc n ILE 56 Ca 0.11 0.09 -0.29 0.00 -0.00 0.00 0.00 62.75 62.66 2kcc n ILE 56 Cb 0.34 -2.08 0.14 0.00 -0.00 0.00 0.00 39.64 38.04 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 -2.62 1.20 0.46 0.38 -0.14 -1.25 -5.04 119.74 112.74 2kcc s LYS 57 Ca -0.24 0.61 -0.01 0.00 -1.36 0.00 0.00 55.97 54.98 2kcc s LYS 57 Cb 0.05 -1.82 -0.00 0.00 -1.68 0.00 0.00 37.83 34.38 2kcc s LYS 57 CO 0.33 -2.23 0.70 1.03 -0.76 0.00 0.00 175.35 174.42 2kcc s ARG 58 N -5.05 3.08 0.16 1.68 0.52 -1.26 -5.03 118.95 113.04 2kcc s ARG 58 Ca 0.63 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 55.13 2kcc s ARG 58 Cb -0.17 -2.52 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 2kcc s ARG 58 CO 0.56 -0.31 1.50 -1.25 0.02 0.00 0.00 175.30 175.82 2kcc s PRO 59 N -4.61 4.26 0.00 3.54 0.04 -1.26 -2.39 135.00 134.58 2kcc s PRO 59 Ca 0.49 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.78 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 0.39 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2kcc n GLY 60 N 3.53 3.26 3.70 0.56 0.00 -1.23 -5.02 105.19 109.98 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 -1.08 1.35 -2.62 4.61 0.00 -1.01 -4.40 120.51 117.37 2kcc n ALA 61 Ca 0.00 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 2kcc n ALA 61 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 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 -1.16 4.63 0.19 0.00 -7.23 -1.26 -1.70 120.40 113.86 2kcc s VAL 62 Ca 0.59 1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 62.41 2kcc s VAL 62 Cb -0.53 -4.22 -0.08 0.00 0.56 0.00 0.00 36.38 32.11 2kcc s VAL 62 CO 0.60 0.03 0.80 -0.76 -0.31 0.00 0.00 175.10 175.45 2kcc s LEU 63 N 1.90 4.57 0.17 1.32 2.01 -0.87 -4.90 118.68 122.88 2kcc s LEU 63 Ca 0.51 1.67 0.08 0.00 0.01 0.00 0.00 54.13 56.40 2kcc s LEU 63 Cb -0.21 -3.39 -0.04 0.00 0.01 0.00 0.00 46.19 42.57 2kcc s LEU 63 CO 0.21 0.18 -0.05 -0.70 1.01 0.00 0.00 176.35 177.00 2kcc s GLU 64 N -1.26 2.25 -0.38 1.70 2.56 -1.26 0.10 118.70 122.41 2kcc s GLU 64 Ca 0.37 -1.15 -0.27 0.00 0.00 0.00 0.00 54.97 53.92 2kcc s GLU 64 Cb -0.23 -2.28 -0.05 0.00 2.00 0.00 0.00 34.13 33.57 2kcc s GLU 64 CO 0.26 0.46 2.20 0.00 -0.56 0.00 0.00 175.26 177.62 2kcc s ALA 65 N -1.65 2.25 0.00 6.30 0.00 -1.21 -1.11 121.76 126.33 2kcc s ALA 65 Ca 0.26 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2kcc s ALA 65 Cb -0.09 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2kcc s ALA 65 CO 0.17 -3.55 0.00 0.41 0.00 0.00 0.00 175.76 172.78 2kcc n GLY 66 N 5.81 2.44 3.75 0.00 0.00 -0.78 -4.91 105.19 111.50 2kcc n GLY 66 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 4.09 -0.18 0.00 1.01 -1.26 -0.15 120.40 122.37 2kcc s VAL 68 Ca 0.76 0.75 0.16 0.00 0.00 0.00 0.00 61.98 63.65 2kcc s VAL 68 Cb -0.32 -4.69 0.05 0.00 0.00 0.00 0.00 36.38 31.42 2kcc s VAL 68 CO 0.35 -1.31 1.33 0.58 0.00 0.00 0.00 175.10 176.05 2kcc h VAL 69 N 6.12 0.70 -1.13 2.92 2.07 -1.02 -3.38 116.25 122.53 2kcc h VAL 69 Ca -0.25 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2kcc h VAL 69 Cb 1.06 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2kcc h VAL 69 CO 1.17 0.40 0.00 0.00 0.02 0.00 0.00 177.57 179.16 2kcc n ALA 70 N -2.24 0.00 -3.83 1.67 0.00 -0.31 -2.96 120.51 112.84 2kcc n ALA 70 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2kcc n ALA 70 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 0.32 -3.71 0.00 5.12 -0.23 -1.82 116.66 116.34 2kcc n ARG 71 Ca 0.00 -2.20 -0.16 0.00 -1.93 0.00 0.00 57.85 53.56 2kcc n ARG 71 Cb 0.00 1.86 -0.16 0.00 -1.16 0.00 0.00 32.46 33.00 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 0.39 -1.23 0.55 2.01 -1.08 -2.65 118.68 116.68 2kcc s LEU 72 Ca 0.26 0.20 -0.13 0.00 0.01 0.00 0.00 54.13 54.47 2kcc s LEU 72 Cb 0.01 0.12 0.17 0.00 0.01 0.00 0.00 46.19 46.50 2kcc s LEU 72 CO 0.18 -0.20 1.53 1.21 1.01 0.00 0.00 176.35 180.08 2kcc n GLU 73 N 4.83 3.42 0.29 1.70 0.00 0.20 -4.59 120.64 126.49 2kcc n GLU 73 Ca -0.14 -3.79 0.16 0.00 0.00 0.00 0.00 57.16 53.39 2kcc n GLU 73 Cb 0.50 -3.02 0.87 0.00 0.00 0.00 0.00 31.44 29.80 2kcc n GLU 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2kcc h LEU 74 N 9.35 0.00 -2.48 4.31 -0.00 -1.87 -3.20 115.31 121.42 2kcc h LEU 74 Ca 0.33 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.65 2kcc h LEU 74 Cb 0.82 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.39 2kcc h LEU 74 CO 1.32 0.06 -0.95 -0.67 -0.00 0.00 0.00 178.44 178.20 2kcc n ASP 75 N -3.51 -0.99 -4.71 -0.43 2.03 -1.26 -4.88 116.55 102.81 2kcc n ASP 75 Ca -0.02 -1.17 -0.42 0.00 0.52 0.00 0.00 54.79 53.70 2kcc n ASP 75 Cb 0.17 -2.24 -0.03 0.00 -0.72 0.00 0.00 41.12 38.30 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 -4.14 7.25 -0.19 1.67 -4.77 -1.26 -4.93 116.67 110.30 2kcc s ASP 76 Ca 0.14 1.79 0.03 0.00 -3.30 0.00 0.00 52.55 51.20 2kcc s ASP 76 Cb -0.07 -2.57 0.33 0.00 -1.09 0.00 0.00 42.92 39.52 2kcc s ASP 76 CO 0.95 -0.36 1.36 0.18 0.70 0.00 0.00 175.17 178.00 2kcc n LEU 77 N 4.04 4.44 0.18 2.11 4.32 -1.26 -4.21 117.00 126.61 2kcc n LEU 77 Ca 0.07 -2.31 0.05 0.00 -0.02 0.00 0.00 56.01 53.80 2kcc n LEU 77 Cb 0.49 -0.64 0.27 0.00 -1.62 0.00 0.00 43.42 41.92 2kcc n LEU 77 CO 0.53 0.69 0.63 1.05 -1.22 0.00 0.00 177.39 179.08 2kcc h GLU 78 N 0.77 0.00 -0.31 3.23 -0.00 -2.00 -3.08 114.58 113.18 2kcc h GLU 78 Ca 0.24 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.69 2kcc h GLU 78 Cb 1.74 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.48 2kcc h GLU 78 CO 0.46 0.40 0.25 0.45 -0.00 0.00 0.00 179.01 180.57 2kcc h HIS 79 N 0.00 0.00 -0.98 2.06 3.86 -2.02 -1.33 115.15 116.75 2kcc h HIS 79 Ca -0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 2kcc h HIS 79 Cb 1.01 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.25 2kcc h HIS 79 CO 0.00 0.00 0.72 1.58 0.86 0.00 0.00 177.93 181.09 2kcc n HIS 80 N -4.25 2.54 -4.00 2.45 -0.00 -1.16 -4.85 115.22 105.96 2kcc n HIS 80 Ca 0.05 -2.52 -0.35 0.00 0.46 0.00 0.00 57.72 55.35 2kcc n HIS 80 Cb 0.41 -1.27 -0.13 0.00 -0.12 0.00 0.00 29.99 28.88 2kcc n HIS 80 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcc s HIS 81 N -3.06 2.98 -1.47 1.57 5.04 -0.50 -4.55 115.29 115.30 2kcc s HIS 81 Ca 0.53 -0.73 -0.06 0.00 -1.54 0.00 0.00 55.06 53.25 2kcc s HIS 81 Cb 0.41 -2.10 0.01 0.00 0.04 0.00 0.00 32.58 30.94 2kcc s HIS 81 CO -0.08 -0.42 0.84 1.58 -2.34 0.00 0.00 174.74 174.32 2kcc n HIS 82 N 4.57 -2.34 -1.51 3.88 -0.00 -1.26 -4.90 115.22 113.67 2kcc n HIS 82 Ca -0.18 0.72 -0.23 0.00 -0.00 0.00 0.00 57.72 58.03 2kcc n HIS 82 Cb 0.51 -4.72 0.11 0.00 -0.00 0.00 0.00 29.99 25.90 2kcc n HIS 82 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kcc n HIS 83 N -4.72 2.57 1.50 1.57 -0.00 -1.26 -5.24 115.22 109.64 2kcc n HIS 83 Ca -0.06 -2.31 0.14 0.00 -0.00 0.00 0.00 57.72 55.49 2kcc n HIS 83 Cb 0.60 -0.88 0.52 0.00 -0.00 0.00 0.00 29.99 30.23 2kcc n HIS 83 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92