#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 3.74 -2.72 2.12 1.02 -1.26 -4.92 120.64 118.63 2kcc n GLU 2 Ca 0.00 -3.59 -0.43 0.00 -0.02 0.00 0.00 57.16 53.12 2kcc n GLU 2 Cb 0.00 -2.88 -0.01 0.00 -0.02 0.00 0.00 31.44 28.53 2kcc n GLU 2 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kcc s ASN 3 N 0.63 6.80 0.46 1.62 -0.87 -1.26 -4.99 114.94 117.33 2kcc s ASN 3 Ca 0.40 -2.32 -0.17 0.00 -1.57 0.00 0.00 52.86 49.20 2kcc s ASN 3 Cb 0.10 -2.51 -0.09 0.00 -0.02 0.00 0.00 41.25 38.74 2kcc s ASN 3 CO 0.01 -1.12 0.93 -1.81 -2.57 0.00 0.00 177.10 172.53 2kcc s ASP 4 N 3.94 6.72 0.51 -1.22 1.01 -1.26 -4.97 116.67 121.40 2kcc s ASP 4 Ca 0.46 1.52 0.29 0.00 0.71 0.00 0.00 52.55 55.54 2kcc s ASP 4 Cb 0.00 -2.48 1.28 0.00 1.01 0.00 0.00 42.92 42.73 2kcc s ASP 4 CO -0.00 -0.46 1.97 1.55 0.21 0.00 0.00 175.17 178.43 2kcc h PRO 5 N 1.37 0.00 -1.42 8.23 0.13 -1.98 -3.08 132.00 135.25 2kcc h PRO 5 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 2kcc h PRO 5 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2kcc h PRO 5 CO 0.62 0.11 0.46 0.25 -0.23 0.00 0.00 178.00 179.22 2kcc n THR 6 N -3.32 2.82 -4.09 1.56 -2.24 -1.26 -4.78 114.28 102.97 2kcc n THR 6 Ca -0.00 -1.74 -0.14 0.00 -2.27 0.00 0.00 64.05 59.90 2kcc n THR 6 Cb 0.33 -1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.52 0.00 -0.10 2.28 1.01 -1.17 -1.87 120.40 118.03 2kcc s VAL 7 Ca 0.35 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.60 2kcc s VAL 7 Cb 0.27 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 34.10 2kcc s VAL 7 CO 0.00 0.00 0.32 -0.22 0.00 0.00 0.00 175.10 175.20 2kcc s LEU 8 N -3.21 0.80 -0.07 3.92 1.98 -1.00 -4.44 118.68 116.66 2kcc s LEU 8 Ca 0.30 0.54 -0.14 0.00 -2.89 0.00 0.00 54.13 51.94 2kcc s LEU 8 Cb 0.00 1.12 0.03 0.00 0.66 0.00 0.00 46.19 48.00 2kcc s LEU 8 CO 0.19 -0.17 0.34 -0.13 -1.89 0.00 0.00 176.35 174.69 2kcc s ARG 9 N -0.10 0.55 0.40 1.98 0.52 -1.26 -2.36 118.95 118.68 2kcc s ARG 9 Ca -0.02 0.15 -0.25 0.00 -0.52 0.00 0.00 55.73 55.09 2kcc s ARG 9 Cb -0.03 0.25 -0.08 0.00 0.52 0.00 0.00 34.95 35.61 2kcc s ARG 9 CO 0.01 -0.12 1.22 -1.12 0.02 0.00 0.00 175.30 175.31 2kcc s SER 10 N -0.58 6.42 0.41 0.23 0.01 -1.08 -4.88 113.70 114.23 2kcc s SER 10 Ca -0.07 2.46 0.21 0.00 1.31 0.00 0.00 55.95 59.87 2kcc s SER 10 Cb -0.04 -2.62 0.82 0.00 0.21 0.00 0.00 66.02 64.39 2kcc s SER 10 CO 0.03 -0.75 1.79 1.55 0.41 0.00 0.00 173.24 176.26 2kcc h PRO 11 N 2.63 0.00 -3.57 12.44 0.13 -1.93 -2.80 132.00 138.90 2kcc h PRO 11 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2kcc h PRO 11 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 2kcc h PRO 11 CO 0.62 0.29 -0.02 -1.12 -0.23 0.00 0.00 178.00 177.55 2kcc s SER 12 N -6.32 0.17 -0.11 1.44 0.01 -1.26 -4.68 113.70 102.96 2kcc s SER 12 Ca 0.00 -1.08 -0.30 0.00 1.31 0.00 0.00 55.95 55.88 2kcc s SER 12 Cb 0.11 0.68 -0.02 0.00 0.21 0.00 0.00 66.02 66.99 2kcc s SER 12 CO 0.66 -1.32 1.20 0.00 0.41 0.00 0.00 173.24 174.19 2kcc s ALA 13 N -3.41 3.56 0.00 1.44 0.00 -1.26 -3.57 121.76 118.52 2kcc s ALA 13 Ca 0.22 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2kcc s ALA 13 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kcc s ALA 13 CO 0.12 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2kcc n GLY 14 N 3.43 4.19 3.62 0.00 0.00 0.25 -4.78 105.19 111.90 2kcc n GLY 14 Ca 0.12 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 4.12 0.76 -0.57 1.61 2.36 -1.24 -1.77 119.74 125.01 2kcc s LYS 15 Ca 0.00 0.83 -0.27 0.00 -2.55 0.00 0.00 55.97 53.99 2kcc s LYS 15 Cb 0.00 0.37 -0.03 0.00 -1.05 0.00 0.00 37.83 37.12 2kcc s LYS 15 CO 0.00 -0.10 1.94 -1.17 1.55 0.00 0.00 175.35 177.56 2kcc s LEU 16 N 0.22 3.33 -0.00 5.43 2.96 -0.56 -1.16 118.68 128.89 2kcc s LEU 16 Ca 0.00 0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 54.24 2kcc s LEU 16 Cb -0.05 -2.62 -0.23 0.00 0.50 0.00 0.00 46.19 43.79 2kcc s LEU 16 CO -0.00 -2.39 1.09 0.00 -1.32 0.00 0.00 176.35 173.73 2kcc h THR 17 N 7.00 1.45 -0.69 3.68 1.03 -1.87 -3.30 112.91 120.20 2kcc h THR 17 Ca -0.26 -2.05 0.00 0.00 -0.01 0.00 0.00 66.41 64.09 2kcc h THR 17 Cb 1.18 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 70.87 2kcc h THR 17 CO 1.19 0.59 0.00 1.67 -0.01 0.00 0.00 175.52 178.96 2kcc n GLN 18 N -4.27 0.00 -3.75 0.00 7.27 -1.25 -4.95 117.38 110.43 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 0.64 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 -2.81 -0.40 -0.75 3.69 -0.85 -1.26 -3.18 117.35 111.80 2kcc s TYR 19 Ca 0.00 0.96 0.22 0.00 -0.52 0.00 0.00 57.07 57.74 2kcc s TYR 19 Cb 0.00 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.46 2kcc s TYR 19 CO 0.00 -0.19 0.99 0.25 -1.52 0.00 0.00 175.55 175.08 2kcc n THR 20 N 2.93 0.07 -3.76 -3.49 -2.24 -1.15 -4.93 114.28 101.70 2kcc n THR 20 Ca -0.13 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 2kcc n THR 20 Cb 0.57 0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 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 -3.13 0.02 1.10 2.28 -7.23 -1.20 -4.96 120.40 107.27 2kcc s VAL 21 Ca 0.05 -0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 59.91 2kcc s VAL 21 Cb 0.15 -0.51 0.28 0.00 0.56 0.00 0.00 36.38 36.86 2kcc s VAL 21 CO 0.82 -0.07 0.92 -1.84 -0.31 0.00 0.00 175.10 174.62 2kcc n GLU 22 N 2.47 -3.12 -1.68 4.82 0.28 -1.26 -4.77 120.64 117.38 2kcc n GLU 22 Ca -0.15 -1.48 -0.42 0.00 -0.16 0.00 0.00 57.16 54.95 2kcc n GLU 22 Cb 0.57 -1.45 -0.03 0.00 1.43 0.00 0.00 31.44 31.96 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 -4.75 4.11 -0.10 -1.84 5.75 -1.26 -1.42 116.55 117.03 2kcc n ASP 23 Ca 0.13 0.94 -0.01 0.00 -0.01 0.00 0.00 54.79 55.84 2kcc n ASP 23 Cb 0.51 -1.54 -0.00 0.00 -1.03 0.00 0.00 41.12 39.06 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 4.40 0.38 3.63 6.12 0.00 0.28 -4.95 105.19 115.06 2kcc n GLY 24 Ca 0.19 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.97 1.12 0.01 -0.02 0.00 -0.51 -4.50 107.32 100.45 2kcc s GLY 25 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.95 2kcc s GLY 25 CO 0.00 3.14 1.89 -2.38 0.00 0.00 0.00 173.10 175.75 2kcc s HIS 26 N 5.63 1.47 -0.08 1.90 -3.43 -1.26 -2.47 115.29 117.05 2kcc s HIS 26 Ca 0.76 -0.29 -0.06 0.00 -0.80 0.00 0.00 55.06 54.67 2kcc s HIS 26 Cb -0.27 -4.16 0.03 0.00 -1.43 0.00 0.00 32.58 26.75 2kcc s HIS 26 CO 0.31 -5.13 0.21 0.14 -2.00 0.00 0.00 174.74 168.27 2kcc s VAL 27 N 4.33 -0.02 0.59 -5.38 -7.23 -0.92 -4.98 120.40 106.80 2kcc s VAL 27 Ca 0.84 0.06 -0.08 0.00 -1.81 0.00 0.00 61.98 61.00 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 0.02 0.93 -1.83 -0.31 0.00 0.00 175.10 174.30 2kcc s GLU 28 N 0.54 3.18 0.08 4.82 -1.05 -1.26 -2.52 118.70 122.48 2kcc s GLU 28 Ca -0.04 0.27 -0.37 0.00 -0.15 0.00 0.00 54.97 54.68 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 -0.62 1.34 0.00 0.95 0.00 0.00 175.26 176.90 2kcc n ALA 29 N -2.62 -1.08 0.00 -0.84 0.00 -1.22 -0.52 120.51 114.23 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 2.51 3.17 3.71 0.00 0.00 -0.13 -4.93 105.19 109.51 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 -0.22 6.94 0.29 1.61 0.15 0.32 -4.71 113.70 118.08 2kcc s SER 31 Ca 0.00 2.15 -0.29 0.00 0.70 0.00 0.00 55.95 58.50 2kcc s SER 31 Cb 0.00 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.63 2kcc s SER 31 CO 0.00 -0.58 1.34 -0.94 1.20 0.00 0.00 173.24 174.25 2kcc s SER 32 N 1.21 6.77 -0.00 5.45 1.04 -1.26 -2.60 113.70 124.31 2kcc s SER 32 Ca 0.62 2.64 0.04 0.00 0.48 0.00 0.00 55.95 59.72 2kcc s SER 32 Cb -0.32 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.11 2kcc s SER 32 CO 0.29 -0.57 0.14 0.00 0.98 0.00 0.00 173.24 174.08 2kcc n TYR 33 N 1.43 0.00 -3.63 5.02 0.18 0.29 -4.78 117.16 115.67 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 -0.03 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 -1.29 -0.03 -2.60 -3.48 0.00 -1.03 -2.96 120.51 109.13 2kcc n ALA 34 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 2kcc n ALA 34 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 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 1.09 -0.22 0.00 2.02 -1.19 0.34 118.70 118.74 2kcc s GLU 35 Ca 0.00 -1.21 -0.06 0.00 0.02 0.00 0.00 54.97 53.73 2kcc s GLU 35 Cb -0.00 0.35 0.11 0.00 0.10 0.00 0.00 34.13 34.68 2kcc s GLU 35 CO 0.00 -0.38 0.42 0.00 0.02 0.00 0.00 175.26 175.32 2kcc s MET 36 N -3.98 0.34 -0.59 1.61 0.23 -0.91 -3.07 119.30 112.94 2kcc s MET 36 Ca 0.18 0.92 -0.22 0.00 -1.03 0.00 0.00 55.69 55.54 2kcc s MET 36 Cb 0.04 0.15 0.06 0.00 -1.53 0.00 0.00 34.83 33.56 2kcc s MET 36 CO -0.00 -0.36 0.86 -2.00 -2.03 0.00 0.00 175.02 171.48 2kcc s GLU 37 N 2.61 3.17 0.51 3.16 2.12 -0.31 -3.06 118.70 126.90 2kcc s GLU 37 Ca 0.03 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.61 2kcc s GLU 37 Cb -0.13 -4.15 0.01 0.00 0.26 0.00 0.00 34.13 30.12 2kcc s GLU 37 CO -0.14 -1.57 0.75 0.54 -0.54 0.00 0.00 175.26 174.31 2kcc s VAL 38 N 3.57 3.57 0.61 3.70 0.11 -1.13 -3.68 120.40 127.15 2kcc s VAL 38 Ca 0.22 -0.43 0.30 0.00 -2.93 0.00 0.00 61.98 59.14 2kcc s VAL 38 Cb -0.17 -3.35 0.36 0.00 -1.53 0.00 0.00 36.38 31.69 2kcc s VAL 38 CO 0.13 -0.27 2.06 0.24 -3.33 0.00 0.00 175.10 173.92 2kcc h MET 39 N 0.18 0.00 0.00 1.54 0.00 -1.96 -3.16 114.93 111.53 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 -3.56 0.00 -4.00 1.72 4.76 -1.26 -5.06 118.16 110.75 2kcc n LYS 40 Ca 0.02 0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 2kcc n LYS 40 Cb 0.37 -0.76 -0.03 0.00 -1.84 0.00 0.00 35.03 32.77 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 -0.58 1.93 0.30 1.97 -1.94 -1.19 -5.16 119.30 114.63 2kcc s MET 41 Ca 0.00 -1.59 -0.23 0.00 -1.71 0.00 0.00 55.69 52.16 2kcc s MET 41 Cb 0.00 0.50 -0.09 0.00 2.01 0.00 0.00 34.83 37.24 2kcc s MET 41 CO 0.00 -0.83 0.86 -1.50 -0.01 0.00 0.00 175.02 173.54 2kcc s ILE 42 N -3.03 4.37 0.16 2.53 1.10 -1.26 -2.86 121.20 122.21 2kcc s ILE 42 Ca 0.25 1.57 -0.07 0.00 -0.51 0.00 0.00 60.65 61.89 2kcc s ILE 42 Cb -0.02 -3.90 -0.02 0.00 0.15 0.00 0.00 42.46 38.68 2kcc s ILE 42 CO 0.16 0.10 0.23 -0.04 -2.11 0.00 0.00 174.94 173.28 2kcc s MET 43 N -2.18 1.10 -0.06 3.50 -1.94 -1.17 -5.00 119.30 113.55 2kcc s MET 43 Ca 0.49 -1.24 0.06 0.00 -1.71 0.00 0.00 55.69 53.29 2kcc s MET 43 Cb -0.17 0.34 -0.01 0.00 2.01 0.00 0.00 34.83 37.01 2kcc s MET 43 CO 0.21 -0.38 -0.25 0.99 -0.01 0.00 0.00 175.02 175.58 2kcc s THR 44 N -3.99 2.05 -0.03 2.05 2.01 -1.26 -2.13 115.64 114.33 2kcc s THR 44 Ca 0.19 -1.06 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 2kcc s THR 44 Cb 0.04 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2kcc s THR 44 CO 0.01 0.57 0.46 -0.76 -0.69 0.00 0.00 174.62 174.20 2kcc s LEU 45 N -0.09 4.41 0.32 4.42 1.02 0.15 -4.94 118.68 123.97 2kcc s LEU 45 Ca -0.06 0.96 0.03 0.00 0.02 0.00 0.00 54.13 55.08 2kcc s LEU 45 Cb -0.14 -2.68 -0.05 0.00 0.02 0.00 0.00 46.19 43.34 2kcc s LEU 45 CO 0.04 0.20 0.10 0.54 0.02 0.00 0.00 176.35 177.25 2kcc s ASN 46 N -0.46 1.93 0.21 2.29 2.20 -1.26 0.10 114.94 119.96 2kcc s ASN 46 Ca 0.25 -1.47 -0.06 0.00 -0.94 0.00 0.00 52.86 50.65 2kcc s ASN 46 Cb -0.17 0.19 -0.06 0.00 -2.00 0.00 0.00 41.25 39.21 2kcc s ASN 46 CO 0.13 -0.76 0.47 0.68 -2.94 0.00 0.00 177.10 174.69 2kcc s VAL 47 N -3.48 5.06 -0.65 3.54 -7.23 -1.07 -4.85 120.40 111.72 2kcc s VAL 47 Ca 0.34 0.14 0.25 0.00 -1.81 0.00 0.00 61.98 60.90 2kcc s VAL 47 Cb 0.07 -3.66 0.12 0.00 0.56 0.00 0.00 36.38 33.46 2kcc s VAL 47 CO 0.15 -0.10 1.44 0.06 -0.31 0.00 0.00 175.10 176.33 2kcc h GLN 48 N 2.38 0.00 -3.42 4.82 -0.00 -1.92 -0.32 115.11 116.65 2kcc h GLN 48 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.16 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 0.70 0.00 0.01 -1.21 -0.00 0.00 0.00 178.83 178.33 2kcc s GLU 49 N -3.16 1.68 0.24 0.06 2.02 -1.26 -4.77 118.70 113.52 2kcc s GLU 49 Ca 0.07 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 2kcc s GLU 49 Cb 0.13 0.52 -0.09 0.00 0.10 0.00 0.00 34.13 34.79 2kcc s GLU 49 CO 0.69 -0.73 1.33 1.03 0.02 0.00 0.00 175.26 177.59 2kcc s ARG 50 N -3.85 4.37 0.00 1.61 3.00 -1.26 -3.37 118.95 119.46 2kcc s ARG 50 Ca 0.19 2.13 0.00 0.00 0.00 0.00 0.00 55.73 58.04 2kcc s ARG 50 Cb -0.03 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.77 2kcc s ARG 50 CO 0.09 -0.25 0.00 0.41 0.00 0.00 0.00 175.30 175.55 2kcc n GLY 51 N 1.95 0.46 3.63 -3.53 0.00 -1.05 -4.62 105.19 102.03 2kcc n GLY 51 Ca 0.05 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 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 4.09 -0.04 1.61 3.00 -1.17 -2.15 118.95 122.28 2kcc s ARG 52 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 55.73 55.62 2kcc s ARG 52 Cb 0.00 -3.61 -0.03 0.00 0.00 0.00 0.00 34.95 31.31 2kcc s ARG 52 CO 0.00 -0.21 0.91 0.08 0.00 0.00 0.00 175.30 176.08 2kcc s VAL 53 N 1.86 4.90 -0.28 3.52 1.01 -1.03 0.53 120.40 130.91 2kcc s VAL 53 Ca 0.18 1.88 -0.00 0.00 0.00 0.00 0.00 61.98 64.04 2kcc s VAL 53 Cb -0.15 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.03 2kcc s VAL 53 CO 0.09 0.15 -0.05 -0.54 0.00 0.00 0.00 175.10 174.75 2kcc s LYS 54 N 1.21 2.46 0.23 2.72 1.02 -1.12 0.10 119.74 126.36 2kcc s LYS 54 Ca 0.47 -1.23 -0.32 0.00 0.02 0.00 0.00 55.97 54.91 2kcc s LYS 54 Cb -0.19 -3.05 -0.12 0.00 -0.52 0.00 0.00 37.83 33.94 2kcc s LYS 54 CO 0.23 -0.56 1.61 0.66 -0.92 0.00 0.00 175.35 176.37 2kcc n TYR 55 N 4.58 2.60 -0.07 3.18 4.02 -1.26 -0.62 117.16 129.58 2kcc n TYR 55 Ca -0.14 0.21 -0.13 0.00 -0.01 0.00 0.00 57.90 57.83 2kcc n TYR 55 Cb 0.44 -2.59 -0.04 0.00 -0.02 0.00 0.00 39.34 37.12 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 2.99 1.28 -1.34 -0.72 -0.00 -1.17 -4.88 119.36 115.52 2kcc n ILE 56 Ca 0.13 0.01 -0.29 0.00 -0.00 0.00 0.00 62.75 62.61 2kcc n ILE 56 Cb 0.34 -1.98 0.15 0.00 -0.00 0.00 0.00 39.64 38.15 2kcc n ILE 56 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2kcc s LYS 57 N -2.53 0.90 0.43 0.38 2.47 -1.22 -5.01 119.74 115.16 2kcc s LYS 57 Ca -0.23 0.47 -0.00 0.00 -1.56 0.00 0.00 55.97 54.64 2kcc s LYS 57 Cb 0.06 -1.80 -0.02 0.00 -1.46 0.00 0.00 37.83 34.62 2kcc s LYS 57 CO 0.32 -2.40 0.66 1.03 0.16 0.00 0.00 175.35 175.11 2kcc s ARG 58 N -5.09 3.24 0.18 4.03 3.00 -1.26 -5.04 118.95 118.00 2kcc s ARG 58 Ca 0.64 -0.35 -0.31 0.00 0.00 0.00 0.00 55.73 55.72 2kcc s ARG 58 Cb -0.17 -2.56 -0.09 0.00 0.00 0.00 0.00 34.95 32.13 2kcc s ARG 58 CO 0.56 -0.15 1.44 -1.25 0.00 0.00 0.00 175.30 175.90 2kcc s PRO 59 N -4.52 4.28 0.00 3.54 0.04 -1.26 -2.45 135.00 134.64 2kcc s PRO 59 Ca 0.46 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.71 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 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2kcc n GLY 60 N 3.09 2.96 3.68 0.56 0.00 -1.24 -5.03 105.19 109.21 2kcc n GLY 60 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.10 0.95 -2.62 4.61 0.00 -1.02 -4.36 120.51 116.96 2kcc n ALA 61 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 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 0.14 0.00 0.00 0.00 177.50 177.64 2kcc s VAL 62 N -1.28 4.62 0.28 0.00 -7.23 -1.26 -1.49 120.40 114.04 2kcc s VAL 62 Ca 0.65 1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 62.50 2kcc s VAL 62 Cb -0.49 -4.21 -0.09 0.00 0.56 0.00 0.00 36.38 32.15 2kcc s VAL 62 CO 0.55 0.10 0.81 -0.76 -0.31 0.00 0.00 175.10 175.49 2kcc s LEU 63 N 1.34 4.30 0.07 1.32 1.43 -0.73 -4.88 118.68 121.53 2kcc s LEU 63 Ca 0.53 1.56 0.08 0.00 -1.03 0.00 0.00 54.13 55.27 2kcc s LEU 63 Cb -0.22 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 2kcc s LEU 63 CO 0.26 -0.04 -0.22 -1.61 0.23 0.00 0.00 176.35 174.96 2kcc s GLU 64 N -2.15 1.38 -0.58 1.70 0.41 -1.26 0.87 118.70 119.07 2kcc s GLU 64 Ca 0.47 -1.08 -0.26 0.00 -0.41 0.00 0.00 54.97 53.70 2kcc s GLU 64 Cb -0.16 -1.60 -0.08 0.00 -1.78 0.00 0.00 34.13 30.51 2kcc s GLU 64 CO 0.21 0.40 2.33 0.00 -0.49 0.00 0.00 175.26 177.71 2kcc s ALA 65 N -0.93 1.50 0.00 5.21 0.00 -1.23 -1.09 121.76 125.22 2kcc s ALA 65 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2kcc s ALA 65 Cb -0.09 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2kcc s ALA 65 CO 0.03 -4.71 0.00 0.41 0.00 0.00 0.00 175.76 171.49 2kcc n GLY 66 N 6.16 1.67 3.76 0.00 0.00 -1.06 -4.91 105.19 110.81 2kcc n GLY 66 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.40 4.07 -0.46 0.00 1.01 -1.26 -2.64 120.40 119.72 2kcc s VAL 68 Ca 0.67 0.67 0.23 0.00 0.00 0.00 0.00 61.98 63.55 2kcc s VAL 68 Cb -0.35 -4.71 0.25 0.00 0.00 0.00 0.00 36.38 31.57 2kcc s VAL 68 CO 0.42 -1.37 1.51 0.58 0.00 0.00 0.00 175.10 176.25 2kcc h VAL 69 N 6.11 0.00 -1.07 2.92 2.07 -1.81 -3.39 116.25 121.08 2kcc h VAL 69 Ca -0.26 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2kcc h VAL 69 Cb 1.06 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2kcc h VAL 69 CO 1.18 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.77 2kcc n ALA 70 N -2.05 0.00 -3.78 1.67 0.00 -1.17 -3.04 120.51 112.14 2kcc n ALA 70 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2kcc n ALA 70 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 0.28 -3.69 0.00 5.12 0.21 -2.37 116.66 116.20 2kcc n ARG 71 Ca 0.00 -2.01 -0.15 0.00 -1.93 0.00 0.00 57.85 53.76 2kcc n ARG 71 Cb 0.00 1.61 -0.15 0.00 -1.16 0.00 0.00 32.46 32.76 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 0.14 -1.21 0.55 2.01 -0.78 -2.78 118.68 116.61 2kcc s LEU 72 Ca 0.23 0.38 -0.12 0.00 0.01 0.00 0.00 54.13 54.64 2kcc s LEU 72 Cb 0.01 0.41 0.19 0.00 0.01 0.00 0.00 46.19 46.81 2kcc s LEU 72 CO 0.16 -0.21 1.49 -0.62 1.01 0.00 0.00 176.35 178.18 2kcc n GLU 73 N 4.94 3.50 -1.98 1.70 1.02 0.19 -4.31 120.64 125.69 2kcc n GLU 73 Ca -0.12 -3.90 -0.36 0.00 -0.02 0.00 0.00 57.16 52.76 2kcc n GLU 73 Cb 0.51 -2.93 0.04 0.00 -0.02 0.00 0.00 31.44 29.03 2kcc n GLU 73 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kcc s LEU 74 N 0.63 3.65 -1.04 -4.62 2.96 -1.26 -3.05 118.68 115.95 2kcc s LEU 74 Ca 0.40 2.40 -0.13 0.00 -0.22 0.00 0.00 54.13 56.58 2kcc s LEU 74 Cb -0.01 -4.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.01 2kcc s LEU 74 CO -0.00 -1.63 2.18 0.47 -1.32 0.00 0.00 176.35 176.05 2kcc n ASP 75 N -1.64 4.55 0.03 3.68 9.92 -1.26 -4.57 116.55 127.26 2kcc n ASP 75 Ca 0.14 -2.54 -0.03 0.00 -0.53 0.00 0.00 54.79 51.83 2kcc n ASP 75 Cb 0.50 -1.24 -0.01 0.00 -0.64 0.00 0.00 41.12 39.72 2kcc n ASP 75 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2kcc h ASP 76 N 6.59 -0.14 -0.68 -2.24 3.32 -2.00 -3.35 116.42 117.92 2kcc h ASP 76 Ca 0.53 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 57.07 2kcc h ASP 76 Cb 0.40 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 39.88 2kcc h ASP 76 CO 1.72 0.24 1.26 0.18 -1.72 0.00 0.00 179.24 180.91 2kcc n LEU 77 N -4.33 6.95 -3.31 1.55 4.32 -1.26 -4.81 117.00 116.10 2kcc n LEU 77 Ca -0.02 -4.12 -0.32 0.00 -0.02 0.00 0.00 56.01 51.53 2kcc n LEU 77 Cb 0.07 -1.36 -0.02 0.00 -1.62 0.00 0.00 43.42 40.48 2kcc n LEU 77 CO 0.05 1.86 2.73 -1.84 -1.22 0.00 0.00 177.39 178.97 2kcc n GLU 78 N 1.88 2.65 -2.20 3.23 0.28 -1.26 -4.92 120.64 120.30 2kcc n GLU 78 Ca 0.56 -1.85 -0.42 0.00 -0.16 0.00 0.00 57.16 55.29 2kcc n GLU 78 Cb 0.51 -2.69 -0.03 0.00 1.43 0.00 0.00 31.44 30.66 2kcc n GLU 78 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2kcc s HIS 79 N 3.13 3.27 -1.05 -1.84 -3.43 -1.26 -4.96 115.29 109.14 2kcc s HIS 79 Ca 0.52 0.99 -0.06 0.00 -0.80 0.00 0.00 55.06 55.72 2kcc s HIS 79 Cb 0.14 -3.65 0.28 0.00 -1.43 0.00 0.00 32.58 27.91 2kcc s HIS 79 CO -0.03 -2.26 1.17 0.72 -2.00 0.00 0.00 174.74 172.34 2kcc n HIS 80 N 3.95 4.06 -3.57 0.38 8.25 -1.26 -4.91 115.22 122.10 2kcc n HIS 80 Ca 0.11 -3.52 -0.29 0.00 -0.26 0.00 0.00 57.72 53.76 2kcc n HIS 80 Cb 0.43 -1.42 -0.12 0.00 1.12 0.00 0.00 29.99 29.99 2kcc n HIS 80 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcc s HIS 81 N -1.87 1.34 -0.17 4.41 3.76 -1.26 -5.10 115.29 116.41 2kcc s HIS 81 Ca 0.31 -2.05 0.01 0.00 -0.15 0.00 0.00 55.06 53.18 2kcc s HIS 81 Cb -0.03 -1.37 0.02 0.00 1.11 0.00 0.00 32.58 32.31 2kcc s HIS 81 CO -0.02 -0.80 -0.20 -1.01 -0.85 0.00 0.00 174.74 171.86 2kcc s HIS 82 N 0.64 2.69 -0.30 1.40 3.76 -1.26 -5.09 115.29 117.13 2kcc s HIS 82 Ca 0.19 -1.54 -0.07 0.00 -0.15 0.00 0.00 55.06 53.49 2kcc s HIS 82 Cb -0.21 -1.86 0.16 0.00 1.11 0.00 0.00 32.58 31.77 2kcc s HIS 82 CO -0.01 -0.75 0.68 -1.58 -0.85 0.00 0.00 174.74 172.22 2kcc s HIS 83 N 1.21 -1.36 0.00 1.40 5.04 -1.26 -5.34 115.29 114.98 2kcc s HIS 83 Ca 0.03 1.94 0.00 0.00 -1.54 0.00 0.00 55.06 55.48 2kcc s HIS 83 Cb -0.13 0.66 0.00 0.00 0.04 0.00 0.00 32.58 33.15 2kcc s HIS 83 CO -0.10 -0.71 0.05 1.58 -2.34 0.00 0.00 174.74 173.22