#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 0.60 -2.97 2.12 2.13 -1.26 -5.03 120.64 116.23 2kcc n GLU 2 Ca 0.00 -2.52 -0.36 0.00 0.66 0.00 0.00 57.16 54.94 2kcc n GLU 2 Cb 0.00 -1.43 -0.01 0.00 0.27 0.00 0.00 31.44 30.27 2kcc n GLU 2 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kcc n ASN 3 N 2.05 5.82 -1.48 4.31 4.13 -1.26 -5.03 115.26 123.79 2kcc n ASN 3 Ca 0.18 -3.56 0.10 0.00 1.68 0.00 0.00 54.58 52.99 2kcc n ASN 3 Cb 0.56 -0.98 -0.06 0.00 -1.54 0.00 0.00 39.78 37.75 2kcc n ASN 3 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kcc n ASP 4 N 0.51 -7.79 0.12 6.41 2.03 -1.26 -4.37 116.55 112.20 2kcc n ASP 4 Ca 0.34 1.57 0.02 0.00 0.52 0.00 0.00 54.79 57.24 2kcc n ASP 4 Cb 0.34 -4.95 0.00 0.00 -0.72 0.00 0.00 41.12 35.79 2kcc n ASP 4 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kcc h PRO 5 N -0.84 0.00 -1.66 -0.67 0.13 -2.00 -3.32 132.00 123.63 2kcc h PRO 5 Ca -0.12 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.61 2kcc h PRO 5 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2kcc h PRO 5 CO 0.05 0.51 0.42 0.25 -0.23 0.00 0.00 178.00 179.00 2kcc n THR 6 N -3.20 3.00 -3.69 1.56 -2.24 -1.26 -4.82 114.28 103.63 2kcc n THR 6 Ca 0.01 -2.15 -0.12 0.00 -2.27 0.00 0.00 64.05 59.51 2kcc n THR 6 Cb 0.76 -1.42 -0.12 0.00 -2.10 0.00 0.00 70.33 67.44 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 -2.35 -0.23 0.20 2.28 1.01 -1.25 -2.14 120.40 117.93 2kcc s VAL 7 Ca 0.42 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 2kcc s VAL 7 Cb 0.30 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 2kcc s VAL 7 CO -0.08 0.08 0.59 -0.22 0.00 0.00 0.00 175.10 175.47 2kcc s LEU 8 N 1.82 4.25 -0.09 3.92 1.98 -1.00 -4.84 118.68 124.71 2kcc s LEU 8 Ca -0.05 1.09 -0.12 0.00 -2.89 0.00 0.00 54.13 52.16 2kcc s LEU 8 Cb -0.11 -3.54 0.03 0.00 0.66 0.00 0.00 46.19 43.23 2kcc s LEU 8 CO -0.10 -0.00 0.30 -0.13 -1.89 0.00 0.00 176.35 174.54 2kcc s ARG 9 N -2.37 0.43 0.44 1.98 0.52 -1.26 -2.91 118.95 115.78 2kcc s ARG 9 Ca 0.44 0.27 -0.24 0.00 -0.52 0.00 0.00 55.73 55.68 2kcc s ARG 9 Cb -0.13 0.20 -0.08 0.00 0.52 0.00 0.00 34.95 35.46 2kcc s ARG 9 CO 0.20 -0.08 1.20 0.45 0.02 0.00 0.00 175.30 177.09 2kcc s SER 10 N -0.20 6.21 0.26 0.23 0.15 -0.99 -4.87 113.70 114.48 2kcc s SER 10 Ca -0.03 2.40 0.11 0.00 0.70 0.00 0.00 55.95 59.12 2kcc s SER 10 Cb -0.03 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 61.98 2kcc s SER 10 CO 0.01 -0.90 1.58 1.55 1.20 0.00 0.00 173.24 176.69 2kcc h PRO 11 N 2.25 0.00 0.00 5.44 0.13 -1.93 -2.84 132.00 135.05 2kcc h PRO 11 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 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 0.64 0.02 -1.13 -0.23 0.00 0.00 178.00 177.91 2kcc n SER 12 N -3.74 -1.42 -4.65 1.44 3.41 -1.26 -4.65 113.62 102.74 2kcc n SER 12 Ca -0.01 -2.45 -0.43 0.00 -0.26 0.00 0.00 58.87 55.73 2kcc n SER 12 Cb 0.64 2.50 -0.02 0.00 -0.26 0.00 0.00 64.21 67.07 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 -2.28 3.59 0.00 7.33 0.00 -1.26 -3.39 121.76 125.75 2kcc s ALA 13 Ca 0.19 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2kcc s ALA 13 Cb -0.02 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2kcc s ALA 13 CO 0.14 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.99 2kcc n GLY 14 N 3.76 5.39 3.63 0.00 0.00 0.26 -4.77 105.19 113.46 2kcc n GLY 14 Ca 0.14 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 4.80 0.76 -0.70 1.61 2.36 -1.25 -1.77 119.74 125.55 2kcc s LYS 15 Ca 0.00 0.86 -0.26 0.00 -2.55 0.00 0.00 55.97 54.02 2kcc s LYS 15 Cb 0.00 0.37 -0.05 0.00 -1.05 0.00 0.00 37.83 37.10 2kcc s LYS 15 CO 0.00 -0.10 2.01 -1.17 1.55 0.00 0.00 175.35 177.65 2kcc s LEU 16 N 0.27 3.23 0.00 5.43 2.96 -0.67 -1.34 118.68 128.57 2kcc s LEU 16 Ca 0.00 0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 53.84 2kcc s LEU 16 Cb -0.05 -2.54 -0.26 0.00 0.50 0.00 0.00 46.19 43.85 2kcc s LEU 16 CO -0.01 -2.69 1.06 0.00 -1.32 0.00 0.00 176.35 173.39 2kcc h THR 17 N 7.18 1.42 -0.60 3.68 1.03 -1.87 -3.30 112.91 120.46 2kcc h THR 17 Ca -0.13 -2.22 0.00 0.00 -0.01 0.00 0.00 66.41 64.05 2kcc h THR 17 Cb 1.12 2.72 0.00 0.00 -1.07 0.00 0.00 68.15 70.91 2kcc h THR 17 CO 1.19 0.65 0.00 1.67 -0.01 0.00 0.00 175.52 179.02 2kcc n GLN 18 N -4.14 0.00 -3.76 0.00 -0.06 -1.25 -4.98 117.38 103.20 2kcc n GLN 18 Ca -0.11 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.75 2kcc n GLN 18 Cb 0.74 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.83 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 -2.48 -0.29 -0.35 3.69 -0.85 -1.26 -3.49 117.35 112.31 2kcc s TYR 19 Ca 0.00 0.63 0.22 0.00 -0.52 0.00 0.00 57.07 57.40 2kcc s TYR 19 Cb 0.00 0.12 -0.13 0.00 0.38 0.00 0.00 41.96 42.32 2kcc s TYR 19 CO 0.00 -0.28 0.81 0.25 -1.52 0.00 0.00 175.55 174.81 2kcc n THR 20 N 2.15 0.18 -3.77 -3.49 -2.24 -1.05 -4.91 114.28 101.15 2kcc n THR 20 Ca -0.17 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2kcc n THR 20 Cb 0.57 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.80 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 -3.33 0.04 0.00 2.28 -7.23 -1.20 -4.96 120.40 106.00 2kcc s VAL 21 Ca -0.01 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2kcc s VAL 21 Cb 0.13 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.53 2kcc s VAL 21 CO 0.85 -0.20 0.00 -1.84 -0.31 0.00 0.00 175.10 173.60 2kcc n GLU 22 N 1.76 -1.10 -1.73 4.82 0.28 -1.26 -4.75 120.64 118.66 2kcc n GLU 22 Ca -0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.39 2kcc n GLU 22 Cb 0.56 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.41 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 -2.86 3.79 -1.96 -1.84 2.03 -1.26 -1.59 116.55 112.86 2kcc n ASP 23 Ca 0.00 1.13 -0.20 0.00 0.52 0.00 0.00 54.79 56.24 2kcc n ASP 23 Cb 0.00 -1.57 -0.04 0.00 -0.72 0.00 0.00 41.12 38.78 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 2.51 0.57 3.60 0.27 0.00 0.12 -4.87 105.19 107.39 2kcc n GLY 24 Ca 0.10 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.40 0.48 0.08 -0.02 0.00 -0.62 -4.21 107.32 100.63 2kcc s GLY 25 Ca 0.00 0.73 -0.31 0.00 0.00 0.00 0.00 44.72 45.14 2kcc s GLY 25 CO 0.00 3.80 1.77 -2.38 0.00 0.00 0.00 173.10 176.29 2kcc s HIS 26 N 8.41 2.10 -0.08 1.90 -3.43 -1.26 -2.83 115.29 120.09 2kcc s HIS 26 Ca 1.00 0.05 -0.08 0.00 -0.80 0.00 0.00 55.06 55.23 2kcc s HIS 26 Cb -0.32 -4.09 0.02 0.00 -1.43 0.00 0.00 32.58 26.76 2kcc s HIS 26 CO 0.35 -4.54 0.22 0.14 -2.00 0.00 0.00 174.74 168.91 2kcc s VAL 27 N 3.07 -0.00 0.55 -5.38 -7.23 -0.06 -4.99 120.40 106.37 2kcc s VAL 27 Ca 0.79 0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.89 2kcc s VAL 27 Cb -0.42 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 2kcc s VAL 27 CO 0.35 0.00 0.91 -1.83 -0.31 0.00 0.00 175.10 174.22 2kcc s GLU 28 N 0.18 3.50 0.06 4.82 -1.05 -1.26 -2.08 118.70 122.86 2kcc s GLU 28 Ca -0.00 0.42 -0.37 0.00 -0.15 0.00 0.00 54.97 54.87 2kcc s GLU 28 Cb -0.02 -2.23 -0.17 0.00 -0.44 0.00 0.00 34.13 31.27 2kcc s GLU 28 CO -0.00 -0.42 1.37 0.00 0.95 0.00 0.00 175.26 177.16 2kcc n ALA 29 N -2.51 -0.93 0.00 -0.84 0.00 -1.18 -0.36 120.51 114.68 2kcc n ALA 29 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2kcc n ALA 29 Cb 0.55 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 2.64 3.18 3.71 0.00 0.00 0.33 -4.92 105.19 110.13 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 -0.30 6.94 0.16 1.61 0.15 0.51 -4.67 113.70 118.10 2kcc s SER 31 Ca 0.00 2.14 -0.31 0.00 0.70 0.00 0.00 55.95 58.48 2kcc s SER 31 Cb 0.00 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 2kcc s SER 31 CO 0.00 -0.59 1.46 -0.94 1.20 0.00 0.00 173.24 174.36 2kcc s SER 32 N 1.26 6.72 -0.00 5.45 1.04 -1.26 -2.57 113.70 124.34 2kcc s SER 32 Ca 0.62 2.48 0.10 0.00 0.48 0.00 0.00 55.95 59.63 2kcc s SER 32 Cb -0.32 -2.60 -0.12 0.00 0.10 0.00 0.00 66.02 63.08 2kcc s SER 32 CO 0.29 -0.71 0.37 0.00 0.98 0.00 0.00 173.24 174.16 2kcc n TYR 33 N 3.65 0.00 -3.74 5.02 0.18 0.21 -4.75 117.16 117.72 2kcc n TYR 33 Ca 0.11 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.89 2kcc n TYR 33 Cb 0.41 -0.07 0.01 0.00 -0.38 0.00 0.00 39.34 39.31 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 -1.41 -1.10 -2.70 -3.48 0.00 -0.79 -2.52 120.51 108.51 2kcc n ALA 34 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 2kcc n ALA 34 Cb 0.19 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 1.17 -0.18 0.00 2.02 -1.23 0.10 118.70 118.58 2kcc s GLU 35 Ca 0.09 -1.20 -0.08 0.00 0.02 0.00 0.00 54.97 53.80 2kcc s GLU 35 Cb -0.01 0.37 0.07 0.00 0.10 0.00 0.00 34.13 34.67 2kcc s GLU 35 CO 0.01 -0.43 0.40 0.00 0.02 0.00 0.00 175.26 175.26 2kcc s MET 36 N -3.98 0.34 -0.60 1.61 0.23 -0.59 -3.10 119.30 113.20 2kcc s MET 36 Ca 0.18 0.90 -0.21 0.00 -1.03 0.00 0.00 55.69 55.54 2kcc s MET 36 Cb 0.03 0.15 0.08 0.00 -1.53 0.00 0.00 34.83 33.56 2kcc s MET 36 CO 0.01 -0.21 0.83 -2.00 -2.03 0.00 0.00 175.02 171.61 2kcc s GLU 37 N 2.07 3.11 0.52 3.16 2.12 -0.45 -2.55 118.70 126.68 2kcc s GLU 37 Ca -0.05 -0.95 -0.01 0.00 0.36 0.00 0.00 54.97 54.32 2kcc s GLU 37 Cb -0.10 -4.21 0.01 0.00 0.26 0.00 0.00 34.13 30.09 2kcc s GLU 37 CO -0.12 -1.61 0.77 0.54 -0.54 0.00 0.00 175.26 174.30 2kcc s VAL 38 N 3.38 3.47 0.60 3.70 0.11 -1.07 -3.82 120.40 126.77 2kcc s VAL 38 Ca 0.18 -0.42 0.29 0.00 -2.93 0.00 0.00 61.98 59.10 2kcc s VAL 38 Cb -0.19 -3.32 0.36 0.00 -1.53 0.00 0.00 36.38 31.70 2kcc s VAL 38 CO 0.10 -0.25 2.04 0.24 -3.33 0.00 0.00 175.10 173.90 2kcc h MET 39 N 0.13 0.00 0.00 1.54 0.00 -1.95 -3.15 114.93 111.50 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 -3.67 0.00 -3.20 1.72 4.01 -1.26 -5.07 118.16 110.70 2kcc n LYS 40 Ca 0.03 0.19 -0.09 0.00 -0.51 0.00 0.00 58.31 57.92 2kcc n LYS 40 Cb 0.41 -0.76 -0.01 0.00 -0.51 0.00 0.00 35.03 34.16 2kcc n LYS 40 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2kcc n MET 41 N -1.07 0.60 -2.92 1.97 2.81 -1.19 -5.16 117.12 112.16 2kcc n MET 41 Ca 0.00 -1.88 -0.35 0.00 -1.81 0.00 0.00 57.70 53.66 2kcc n MET 41 Cb 0.00 1.95 -0.06 0.00 -0.71 0.00 0.00 33.22 34.39 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 0.12 2.02 1.10 -1.26 -2.59 121.20 122.40 2kcc s ILE 42 Ca 0.18 1.46 -0.07 0.00 -0.51 0.00 0.00 60.65 61.71 2kcc s ILE 42 Cb -0.02 -3.78 -0.01 0.00 0.15 0.00 0.00 42.46 38.80 2kcc s ILE 42 CO 0.13 -0.06 0.17 -0.04 -2.11 0.00 0.00 174.94 173.04 2kcc s MET 43 N -2.58 0.93 -0.09 3.50 -1.94 -1.06 -4.99 119.30 113.09 2kcc s MET 43 Ca 0.53 -1.14 0.05 0.00 -1.71 0.00 0.00 55.69 53.42 2kcc s MET 43 Cb -0.14 0.32 -0.00 0.00 2.01 0.00 0.00 34.83 37.02 2kcc s MET 43 CO 0.19 -0.30 -0.24 0.99 -0.01 0.00 0.00 175.02 175.65 2kcc s THR 44 N -3.93 2.09 -0.35 2.05 2.01 -1.26 -1.55 115.64 114.70 2kcc s THR 44 Ca 0.12 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 60.91 2kcc s THR 44 Cb 0.05 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 2kcc s THR 44 CO -0.05 0.56 0.56 -0.76 -0.69 0.00 0.00 174.62 174.24 2kcc s LEU 45 N 0.18 4.29 0.46 4.42 1.02 0.29 -4.93 118.68 124.41 2kcc s LEU 45 Ca -0.14 0.07 0.07 0.00 0.02 0.00 0.00 54.13 54.15 2kcc s LEU 45 Cb -0.17 -2.66 -0.01 0.00 0.02 0.00 0.00 46.19 43.37 2kcc s LEU 45 CO 0.07 -0.51 0.32 0.54 0.02 0.00 0.00 176.35 176.79 2kcc s ASN 46 N 1.76 4.71 0.20 2.29 2.20 -1.26 0.65 114.94 125.48 2kcc s ASN 46 Ca 0.21 -1.02 -0.06 0.00 -0.94 0.00 0.00 52.86 51.05 2kcc s ASN 46 Cb -0.15 -0.21 -0.06 0.00 -2.00 0.00 0.00 41.25 38.83 2kcc s ASN 46 CO 0.14 -0.77 0.46 0.68 -2.94 0.00 0.00 177.10 174.67 2kcc s VAL 47 N -2.61 5.08 -0.69 3.54 -7.23 -1.06 -4.84 120.40 112.58 2kcc s VAL 47 Ca 0.41 0.10 0.25 0.00 -1.81 0.00 0.00 61.98 60.93 2kcc s VAL 47 Cb -0.01 -3.66 0.11 0.00 0.56 0.00 0.00 36.38 33.38 2kcc s VAL 47 CO 0.24 -0.09 1.44 0.00 -0.31 0.00 0.00 175.10 176.38 2kcc n GLN 48 N -0.28 0.26 -3.92 4.82 -0.00 -1.26 -0.52 117.38 116.48 2kcc n GLN 48 Ca -0.02 0.11 -0.08 0.00 -0.00 0.00 0.00 57.00 57.01 2kcc n GLN 48 Cb 0.53 -1.70 -0.04 0.00 -0.00 0.00 0.00 30.24 29.03 2kcc n GLN 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2kcc s GLU 49 N -3.14 1.63 0.14 2.61 8.01 -1.26 -4.78 118.70 121.92 2kcc s GLU 49 Ca 0.08 -1.12 -0.31 0.00 0.01 0.00 0.00 54.97 53.63 2kcc s GLU 49 Cb 0.13 0.53 -0.09 0.00 -4.31 0.00 0.00 34.13 30.40 2kcc s GLU 49 CO 0.69 -0.71 1.42 1.03 0.01 0.00 0.00 175.26 177.70 2kcc s ARG 50 N -3.97 4.31 0.00 1.61 3.00 -1.26 -3.12 118.95 119.52 2kcc s ARG 50 Ca 0.17 2.14 0.00 0.00 0.00 0.00 0.00 55.73 58.04 2kcc s ARG 50 Cb -0.03 -3.21 0.00 0.00 0.00 0.00 0.00 34.95 31.71 2kcc s ARG 50 CO 0.07 -0.44 0.00 0.41 0.00 0.00 0.00 175.30 175.34 2kcc n GLY 51 N 3.31 -1.21 3.36 -3.53 0.00 -0.88 -3.63 105.19 102.61 2kcc n GLY 51 Ca 0.11 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 2kcc n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcc n ARG 52 N 0.00 0.13 -3.47 1.61 3.00 -0.87 -0.88 116.66 116.18 2kcc n ARG 52 Ca 0.00 -2.42 -0.09 0.00 -0.01 0.00 0.00 57.85 55.33 2kcc n ARG 52 Cb 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.88 2kcc n ARG 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2kcc s VAL 53 N -2.52 -0.63 -0.22 1.55 1.01 -1.13 -3.02 120.40 115.44 2kcc s VAL 53 Ca 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 2kcc s VAL 53 Cb -0.03 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.62 2kcc s VAL 53 CO 0.37 -0.03 -0.10 -0.54 0.00 0.00 0.00 175.10 174.79 2kcc s LYS 54 N 2.58 2.93 0.33 2.72 1.02 -1.24 0.14 119.74 128.22 2kcc s LYS 54 Ca 0.07 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.87 2kcc s LYS 54 Cb -0.14 -2.87 -0.12 0.00 -0.52 0.00 0.00 37.83 34.19 2kcc s LYS 54 CO -0.15 -0.32 1.44 0.66 -0.92 0.00 0.00 175.35 176.06 2kcc n TYR 55 N 4.66 2.62 -0.09 3.18 4.02 -1.26 -1.62 117.16 128.67 2kcc n TYR 55 Ca -0.18 0.44 -0.18 0.00 -0.01 0.00 0.00 57.90 57.97 2kcc n TYR 55 Cb 0.48 -2.50 -0.06 0.00 -0.02 0.00 0.00 39.34 37.24 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 0.97 1.21 -1.30 -0.72 -0.00 -1.16 -4.91 119.36 113.46 2kcc n ILE 56 Ca 0.05 -0.15 -0.30 0.00 -0.00 0.00 0.00 62.75 62.36 2kcc n ILE 56 Cb 0.36 -1.88 0.21 0.00 -0.00 0.00 0.00 39.64 38.33 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 -2.46 -0.45 0.44 0.38 -0.14 -1.25 -5.04 119.74 111.21 2kcc s LYS 57 Ca -0.27 -0.03 -0.00 0.00 -1.36 0.00 0.00 55.97 54.31 2kcc s LYS 57 Cb 0.09 -1.68 -0.01 0.00 -1.68 0.00 0.00 37.83 34.54 2kcc s LYS 57 CO 0.35 -3.21 0.66 1.03 -0.76 0.00 0.00 175.35 173.43 2kcc s ARG 58 N -5.43 3.17 0.10 1.68 0.52 -1.26 -5.04 118.95 112.69 2kcc s ARG 58 Ca 0.70 -0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 55.21 2kcc s ARG 58 Cb -0.10 -2.55 -0.08 0.00 0.52 0.00 0.00 34.95 32.73 2kcc s ARG 58 CO 0.55 -0.20 1.45 -1.25 0.02 0.00 0.00 175.30 175.87 2kcc s PRO 59 N -4.54 4.28 0.00 3.54 0.04 -1.26 -2.42 135.00 134.65 2kcc s PRO 59 Ca 0.47 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2kcc s PRO 59 Cb -0.10 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2kcc s PRO 59 CO 0.38 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2kcc n GLY 60 N 3.62 2.63 3.68 0.56 0.00 -1.24 -5.02 105.19 109.41 2kcc n GLY 60 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.97 0.96 -2.61 4.61 0.00 -1.01 -4.32 120.51 117.16 2kcc n ALA 61 Ca 0.00 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2kcc n ALA 61 Cb 0.00 -2.22 -0.02 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 -1.28 4.61 0.26 0.00 1.01 -1.26 -1.66 120.40 122.07 2kcc s VAL 62 Ca 0.66 1.90 -0.23 0.00 0.00 0.00 0.00 61.98 64.31 2kcc s VAL 62 Cb -0.48 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.59 2kcc s VAL 62 CO 0.54 -0.02 0.82 -0.76 0.00 0.00 0.00 175.10 175.68 2kcc s LEU 63 N 2.25 4.37 0.16 3.92 2.01 -0.73 -4.90 118.68 125.77 2kcc s LEU 63 Ca 0.50 1.61 0.11 0.00 0.01 0.00 0.00 54.13 56.37 2kcc s LEU 63 Cb -0.20 -3.73 -0.04 0.00 0.01 0.00 0.00 46.19 42.23 2kcc s LEU 63 CO 0.18 0.01 -0.25 -1.61 1.01 0.00 0.00 176.35 175.68 2kcc s GLU 64 N -1.92 1.46 -0.39 1.70 0.41 -1.26 0.90 118.70 119.60 2kcc s GLU 64 Ca 0.45 -1.44 -0.27 0.00 -0.41 0.00 0.00 54.97 53.30 2kcc s GLU 64 Cb -0.18 -1.87 -0.05 0.00 -1.78 0.00 0.00 34.13 30.24 2kcc s GLU 64 CO 0.23 0.42 2.25 0.00 -0.49 0.00 0.00 175.26 177.67 2kcc s ALA 65 N -1.38 2.17 0.00 5.21 0.00 -1.22 -1.18 121.76 125.36 2kcc s ALA 65 Ca 0.18 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2kcc s ALA 65 Cb -0.09 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.81 2kcc s ALA 65 CO 0.08 -3.67 0.00 0.41 0.00 0.00 0.00 175.76 172.58 2kcc n GLY 66 N 5.85 2.33 3.75 0.00 0.00 -1.07 -4.93 105.19 111.11 2kcc n GLY 66 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.50 4.09 -0.27 0.00 1.01 -1.26 -2.35 120.40 120.12 2kcc s VAL 68 Ca 0.74 0.70 0.19 0.00 0.00 0.00 0.00 61.98 63.61 2kcc s VAL 68 Cb -0.33 -4.70 0.14 0.00 0.00 0.00 0.00 36.38 31.50 2kcc s VAL 68 CO 0.37 -1.33 1.39 0.58 0.00 0.00 0.00 175.10 176.12 2kcc h VAL 69 N 6.11 0.38 -0.76 2.92 2.07 -1.87 -3.38 116.25 121.73 2kcc h VAL 69 Ca -0.26 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.70 2kcc h VAL 69 Cb 1.06 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2kcc h VAL 69 CO 1.17 0.22 0.00 0.00 0.02 0.00 0.00 177.57 178.98 2kcc n ALA 70 N -2.19 0.00 -4.18 1.67 0.00 -1.22 -2.99 120.51 111.60 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 -4.02 0.00 5.12 -0.64 -2.36 116.66 115.17 2kcc n ARG 71 Ca 0.00 -3.04 -0.08 0.00 -1.93 0.00 0.00 57.85 52.80 2kcc n ARG 71 Cb 0.00 2.33 -0.09 0.00 -1.16 0.00 0.00 32.46 33.53 2kcc n ARG 71 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2kcc s LEU 72 N 0.00 2.17 -0.35 0.55 1.98 -0.91 -3.63 118.68 118.49 2kcc s LEU 72 Ca 0.33 -0.85 0.01 0.00 -2.89 0.00 0.00 54.13 50.72 2kcc s LEU 72 Cb 0.02 0.42 0.14 0.00 0.66 0.00 0.00 46.19 47.43 2kcc s LEU 72 CO 0.23 -0.60 0.26 -0.70 -1.89 0.00 0.00 176.35 173.65 2kcc s GLU 73 N -3.65 0.56 0.04 1.98 2.56 -1.17 -4.62 118.70 114.40 2kcc s GLU 73 Ca 0.04 -1.14 -0.30 0.00 0.00 0.00 0.00 54.97 53.57 2kcc s GLU 73 Cb 0.05 -1.09 -0.08 0.00 2.00 0.00 0.00 34.13 35.01 2kcc s GLU 73 CO -0.09 -1.20 1.86 -0.51 -0.56 0.00 0.00 175.26 174.76 2kcc s LEU 74 N 1.24 4.40 -1.06 2.70 1.02 -1.26 -2.06 118.68 123.66 2kcc s LEU 74 Ca 0.17 2.59 -0.13 0.00 0.02 0.00 0.00 54.13 56.79 2kcc s LEU 74 Cb -0.20 -3.54 -0.08 0.00 0.02 0.00 0.00 46.19 42.39 2kcc s LEU 74 CO -0.02 -1.01 2.19 0.47 0.02 0.00 0.00 176.35 178.01 2kcc n ASP 75 N 7.01 4.56 -4.79 2.29 8.00 -1.24 -4.92 116.55 127.46 2kcc n ASP 75 Ca 0.19 -2.55 -0.35 0.00 0.71 0.00 0.00 54.79 52.78 2kcc n ASP 75 Cb 0.41 -1.25 -0.05 0.00 -0.02 0.00 0.00 41.12 40.21 2kcc n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kcc s ASP 76 N 3.70 6.76 -1.66 -2.24 2.15 -1.26 -3.42 116.67 120.71 2kcc s ASP 76 Ca 0.51 1.93 0.00 0.00 0.43 0.00 0.00 52.55 55.42 2kcc s ASP 76 Cb 0.13 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2kcc s ASP 76 CO 0.00 -0.48 0.00 -0.11 -0.17 0.00 0.00 175.17 174.41 2kcc n LEU 77 N -0.28 -1.87 -4.59 -1.34 7.94 -1.26 -4.91 117.00 110.68 2kcc n LEU 77 Ca 0.06 -0.01 -0.43 0.00 -1.11 0.00 0.00 56.01 54.52 2kcc n LEU 77 Cb 0.51 -2.76 -0.02 0.00 0.53 0.00 0.00 43.42 41.68 2kcc n LEU 77 CO 0.42 -0.21 1.29 -0.70 -1.11 0.00 0.00 177.39 177.08 2kcc s GLU 78 N -4.94 3.46 -0.54 1.96 2.56 -1.22 -4.93 118.70 115.04 2kcc s GLU 78 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 54.97 55.90 2kcc s GLU 78 Cb 0.00 -4.08 0.17 0.00 2.00 0.00 0.00 34.13 32.22 2kcc s GLU 78 CO 0.00 -1.72 0.40 -3.38 -0.56 0.00 0.00 175.26 170.01 2kcc s HIS 79 N 5.86 2.21 0.41 5.30 -3.43 -1.26 -5.11 115.29 119.26 2kcc s HIS 79 Ca 0.62 -2.77 0.06 0.00 -0.80 0.00 0.00 55.06 52.17 2kcc s HIS 79 Cb -0.14 -1.74 0.06 0.00 -1.43 0.00 0.00 32.58 29.34 2kcc s HIS 79 CO 0.31 -0.70 0.53 0.72 -2.00 0.00 0.00 174.74 173.59 2kcc n HIS 80 N 2.50 -2.24 -4.15 0.38 8.25 -1.26 -5.15 115.22 113.55 2kcc n HIS 80 Ca 0.24 -1.53 -0.15 0.00 -0.26 0.00 0.00 57.72 56.03 2kcc n HIS 80 Cb 0.42 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 2kcc n HIS 80 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kcc n HIS 81 N -1.82 -0.89 -4.09 4.41 8.25 -1.26 -5.19 115.22 114.63 2kcc n HIS 81 Ca 0.10 -2.22 -0.10 0.00 -0.26 0.00 0.00 57.72 55.24 2kcc n HIS 81 Cb 0.43 0.32 -0.09 0.00 1.12 0.00 0.00 29.99 31.78 2kcc n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcc s HIS 82 N -3.17 0.76 0.56 4.41 2.46 -1.26 -5.18 115.29 113.87 2kcc s HIS 82 Ca 0.30 -1.08 0.09 0.00 0.47 0.00 0.00 55.06 54.84 2kcc s HIS 82 Cb 0.01 -0.30 0.08 0.00 -0.13 0.00 0.00 32.58 32.23 2kcc s HIS 82 CO 0.21 -0.67 0.77 -1.01 -2.47 0.00 0.00 174.74 171.58 2kcc s HIS 83 N -4.05 1.61 -2.92 3.88 3.76 -1.26 -5.38 115.29 110.93 2kcc s HIS 83 Ca 0.26 -0.66 0.25 0.00 -0.15 0.00 0.00 55.06 54.76 2kcc s HIS 83 Cb 0.05 -2.28 0.34 0.00 1.11 0.00 0.00 32.58 31.80 2kcc s HIS 83 CO 0.05 -1.09 1.34 -2.39 -0.85 0.00 0.00 174.74 171.80