#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2noc s LYS 2 N 0.00 1.65 0.36 0.03 2.20 -1.26 -4.94 119.74 117.78 2noc s LYS 2 Ca 0.00 -2.06 0.19 0.00 -0.36 0.00 0.00 55.97 53.73 2noc s LYS 2 Cb 0.00 -3.27 0.56 0.00 -1.51 0.00 0.00 37.83 33.61 2noc s LYS 2 CO 0.00 -0.99 1.67 0.00 -0.36 0.00 0.00 175.35 175.67 2noc h THR 3 N 6.31 0.84 0.00 3.43 1.03 -2.13 -3.47 112.91 118.91 2noc h THR 3 Ca -0.05 -1.65 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 2noc h THR 3 Cb 0.99 2.03 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 2noc h THR 3 CO 0.57 0.38 0.00 0.61 -0.01 0.00 0.00 175.52 177.08 2noc n GLY 4 N 0.47 4.22 3.43 2.99 0.00 -1.26 -5.09 105.19 109.95 2noc n GLY 4 Ca 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 2noc n GLY 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2noc s TYR 5 N -0.59 3.21 -0.37 1.61 5.04 -1.26 -5.05 117.35 119.95 2noc s TYR 5 Ca 0.00 -0.64 -0.29 0.00 -2.44 0.00 0.00 57.07 53.70 2noc s TYR 5 Cb 0.00 -2.42 0.01 0.00 0.35 0.00 0.00 41.96 39.90 2noc s TYR 5 CO 0.00 -0.51 1.34 0.21 -1.34 0.00 0.00 175.55 175.25 2noc s LYS 6 N 1.62 3.73 -0.00 4.97 2.20 -1.26 -4.99 119.74 126.00 2noc s LYS 6 Ca 0.04 1.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.73 2noc s LYS 6 Cb -0.18 -3.96 -0.01 0.00 -1.51 0.00 0.00 37.83 32.17 2noc s LYS 6 CO 0.07 -1.37 -0.15 0.14 -0.36 0.00 0.00 175.35 173.69 2noc s VAL 7 N 4.92 1.15 -0.49 4.02 -7.23 -1.26 -5.02 120.40 116.49 2noc s VAL 7 Ca 0.58 -0.68 0.11 0.00 -1.81 0.00 0.00 61.98 60.18 2noc s VAL 7 Cb -0.14 -0.97 0.65 0.00 0.56 0.00 0.00 36.38 36.48 2noc s VAL 7 CO 0.29 0.28 1.49 0.23 -0.31 0.00 0.00 175.10 177.08 2noc n MET 8 N 2.59 4.03 -3.44 4.82 2.81 -1.26 -4.82 117.12 121.85 2noc n MET 8 Ca -0.15 -2.49 -0.43 0.00 -1.81 0.00 0.00 57.70 52.81 2noc n MET 8 Cb 0.55 -2.08 -0.09 0.00 -0.71 0.00 0.00 33.22 30.89 2noc n MET 8 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2noc s LEU 9 N -2.13 5.34 -0.39 4.03 1.02 -1.26 -4.87 118.68 120.42 2noc s LEU 9 Ca 0.43 -1.15 0.06 0.00 0.02 0.00 0.00 54.13 53.50 2noc s LEU 9 Cb 0.33 -2.15 0.29 0.00 0.02 0.00 0.00 46.19 44.67 2noc s LEU 9 CO 0.13 -0.55 1.24 0.61 0.02 0.00 0.00 176.35 177.80 2noc n GLY 10 N 5.16 0.23 2.78 -3.19 0.00 -1.26 -5.13 105.19 103.78 2noc n GLY 10 Ca -0.12 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2noc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 11 N 0.16 0.21 -0.54 4.61 0.00 -1.26 -4.40 121.76 120.53 2noc s ALA 11 Ca 0.18 0.23 0.24 0.00 0.00 0.00 0.00 51.96 52.61 2noc s ALA 11 Cb 0.28 -0.32 0.31 0.00 0.00 0.00 0.00 23.12 23.39 2noc s ALA 11 CO -0.08 -0.14 1.33 -0.07 0.00 0.00 0.00 175.76 176.80 2noc h LEU 12 N 7.41 0.00 -2.35 0.00 4.07 -1.91 -3.49 115.31 119.04 2noc h LEU 12 Ca -0.41 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.42 2noc h LEU 12 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 2noc h LEU 12 CO 0.44 0.06 -0.58 0.00 -1.08 0.00 0.00 178.44 177.28 2noc n ALA 13 N -1.92 -3.17 -3.00 1.53 0.00 -1.26 -5.08 120.51 107.60 2noc n ALA 13 Ca 0.03 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2noc n ALA 13 Cb 0.47 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2noc n ALA 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2noc n PHE 14 N 0.03 -0.33 -3.37 0.00 -1.74 -1.26 -5.16 117.46 105.63 2noc n PHE 14 Ca 0.06 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.84 2noc n PHE 14 Cb 0.24 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.15 2noc n PHE 14 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2noc s VAL 15 N -2.65 -0.54 0.49 1.97 0.11 -1.26 -5.00 120.40 113.52 2noc s VAL 15 Ca 0.00 -0.18 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2noc s VAL 15 Cb 0.00 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2noc s VAL 15 CO 0.00 -0.21 0.79 0.68 -3.33 0.00 0.00 175.10 173.03 2noc s VAL 16 N 2.49 4.69 -0.73 2.04 -7.23 -1.26 -4.93 120.40 115.48 2noc s VAL 16 Ca 0.11 0.13 0.14 0.00 -1.81 0.00 0.00 61.98 60.55 2noc s VAL 16 Cb -0.15 -3.79 0.44 0.00 0.56 0.00 0.00 36.38 33.45 2noc s VAL 16 CO -0.21 -0.77 1.37 0.35 -0.31 0.00 0.00 175.10 175.53 2noc n THR 17 N -2.29 1.54 -2.25 5.32 -2.24 -1.26 -4.80 114.28 108.29 2noc n THR 17 Ca 0.01 -1.32 -0.40 0.00 -2.27 0.00 0.00 64.05 60.07 2noc n THR 17 Cb 0.56 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 2noc n THR 17 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2noc s ASN 18 N -1.30 5.70 -0.01 3.42 -0.87 -1.26 -4.95 114.94 115.67 2noc s ASN 18 Ca 0.34 0.11 0.01 0.00 -1.57 0.00 0.00 52.86 51.75 2noc s ASN 18 Cb 0.22 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.25 38.91 2noc s ASN 18 CO 0.15 -2.09 -0.04 0.68 -2.57 0.00 0.00 177.10 173.23 2noc s VAL 19 N 7.51 0.37 0.00 1.60 -7.23 -1.26 -4.94 120.40 116.44 2noc s VAL 19 Ca 0.55 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2noc s VAL 19 Cb -0.11 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.50 2noc s VAL 19 CO 0.20 0.11 0.00 0.00 -0.31 0.00 0.00 175.10 175.10 2noc n TYR 20 N 3.09 -0.03 -3.62 2.82 9.36 -1.26 -5.18 117.16 122.33 2noc n TYR 20 Ca -0.14 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.07 2noc n TYR 20 Cb 0.58 0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 39.28 2noc n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2noc s ALA 21 N -1.15 -2.27 -0.52 2.98 0.00 -1.26 -5.05 121.76 114.49 2noc s ALA 21 Ca 0.00 1.69 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 2noc s ALA 21 Cb 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 23.12 22.76 2noc s ALA 21 CO 0.00 -0.66 2.40 0.00 0.00 0.00 0.00 175.76 177.50 2noc n ALA 22 N -0.12 0.88 -2.27 0.00 0.00 -0.77 -4.53 120.51 113.70 2noc n ALA 22 Ca 0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2noc n ALA 22 Cb 0.58 -2.84 -0.09 0.00 0.00 0.00 0.00 19.45 17.09 2noc n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2noc s GLU 23 N 7.71 1.07 0.31 0.00 2.12 -1.06 -4.77 118.70 124.07 2noc s GLU 23 Ca 1.08 -1.47 -0.27 0.00 0.36 0.00 0.00 54.97 54.67 2noc s GLU 23 Cb -0.56 0.28 -0.09 0.00 0.26 0.00 0.00 34.13 34.01 2noc s GLU 23 CO 0.37 -0.34 1.00 0.42 -0.54 0.00 0.00 175.26 176.17 2noc s ILE 24 N -4.08 3.93 0.26 -3.70 -1.09 -1.26 -0.50 121.20 114.77 2noc s ILE 24 Ca 0.28 1.73 0.11 0.00 -2.23 0.00 0.00 60.65 60.55 2noc s ILE 24 Cb 0.06 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 2noc s ILE 24 CO 0.05 0.26 -0.19 -0.04 -1.23 0.00 0.00 174.94 173.79 2noc s MET 25 N -1.77 1.62 0.65 2.79 -1.94 -1.26 -4.93 119.30 114.46 2noc s MET 25 Ca 0.48 -1.73 -0.16 0.00 -1.71 0.00 0.00 55.69 52.57 2noc s MET 25 Cb -0.24 -1.69 -0.00 0.00 2.01 0.00 0.00 34.83 34.91 2noc s MET 25 CO 0.30 0.31 1.12 0.15 -0.01 0.00 0.00 175.02 176.90 2noc s LYS 26 N -3.48 2.79 0.26 2.03 1.02 -1.26 -4.84 119.74 116.26 2noc s LYS 26 Ca 0.28 1.46 0.01 0.00 0.02 0.00 0.00 55.97 57.75 2noc s LYS 26 Cb -0.05 -1.94 0.34 0.00 -0.52 0.00 0.00 37.83 35.67 2noc s LYS 26 CO 0.14 -1.27 1.69 -0.22 -0.92 0.00 0.00 175.35 174.76 2noc h LYS 27 N 0.14 0.54 -0.13 1.68 1.63 -2.00 0.30 116.57 118.72 2noc h LYS 27 Ca -0.47 -0.22 -0.07 0.00 -0.85 0.00 0.00 60.65 59.04 2noc h LYS 27 Cb 1.25 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2noc h LYS 27 CO 0.54 0.76 -0.19 1.79 -3.45 0.00 0.00 179.45 178.90 2noc h THR 28 N 0.48 1.36 -0.04 1.00 1.35 -2.00 -2.55 112.91 112.51 2noc h THR 28 Ca 0.07 -1.41 -0.07 0.00 -0.55 0.00 0.00 66.41 64.44 2noc h THR 28 Cb 0.71 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 2noc h THR 28 CO 0.05 0.41 -0.32 0.44 -0.25 0.00 0.00 175.52 175.86 2noc h ASP 29 N -0.03 0.07 -0.63 5.36 5.19 -1.91 -2.68 116.42 121.80 2noc h ASP 29 Ca 0.01 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2noc h ASP 29 Cb 0.75 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.20 2noc h ASP 29 CO 0.04 0.39 0.36 0.15 -3.12 0.00 0.00 179.24 177.07 2noc h PHE 30 N 0.06 0.67 -0.06 4.55 3.57 -0.21 0.70 116.94 126.22 2noc h PHE 30 Ca 0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2noc h PHE 30 Cb 0.60 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2noc h PHE 30 CO 0.00 0.35 -0.37 0.22 -2.23 0.00 0.00 178.31 176.28 2noc h ASP 31 N 0.69 0.12 0.62 0.41 3.58 -1.13 -0.54 116.42 120.16 2noc h ASP 31 Ca 0.27 -0.04 -0.28 0.00 0.42 0.00 0.00 57.03 57.40 2noc h ASP 31 Cb 0.11 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2noc h ASP 31 CO -0.15 0.48 -1.39 0.11 -2.88 0.00 0.00 179.24 175.41 2noc h LYS 32 N 0.10 0.15 0.00 0.28 6.56 -1.10 -3.27 116.57 119.28 2noc h LYS 32 Ca 0.01 -0.25 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 2noc h LYS 32 Cb 0.70 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2noc h LYS 32 CO 0.05 0.99 -0.15 1.33 -2.06 0.00 0.00 179.45 179.62 2noc n VAL 33 N -3.37 0.09 0.16 0.50 0.24 0.24 -2.74 118.33 113.45 2noc n VAL 33 Ca -0.11 -0.05 0.10 0.00 -2.04 0.00 0.00 64.34 62.24 2noc n VAL 33 Cb 1.02 -0.33 0.54 0.00 -1.47 0.00 0.00 33.84 33.60 2noc n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2noc n ALA 34 N -1.55 1.06 -0.02 2.33 0.00 -0.22 -0.53 120.51 121.57 2noc n ALA 34 Ca 0.06 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.57 2noc n ALA 34 Cb 0.36 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 2noc n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2noc n SER 35 N -2.19 1.13 -0.53 0.00 2.88 -1.11 -4.30 113.62 109.50 2noc n SER 35 Ca -0.01 0.38 0.10 0.00 -1.33 0.00 0.00 58.87 58.01 2noc n SER 35 Cb 0.04 -0.23 0.01 0.00 -0.75 0.00 0.00 64.21 63.28 2noc n SER 35 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2noc n GLU 36 N -3.13 1.44 -4.74 -1.46 -0.58 -0.40 -4.91 120.64 106.85 2noc n GLU 36 Ca -0.20 -1.09 -0.32 0.00 -0.42 0.00 0.00 57.16 55.13 2noc n GLU 36 Cb 1.05 -1.43 -0.08 0.00 -0.57 0.00 0.00 31.44 30.41 2noc n GLU 36 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2noc s TYR 37 N -2.28 1.97 0.09 -0.32 1.51 0.31 -1.85 117.35 116.78 2noc s TYR 37 Ca 0.19 -0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 55.31 2noc s TYR 37 Cb 0.17 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 2noc s TYR 37 CO 0.50 0.26 0.06 0.99 -1.11 0.00 0.00 175.55 176.25 2noc s THR 38 N -2.85 0.16 -0.35 -0.71 2.01 0.14 -4.82 115.64 109.22 2noc s THR 38 Ca 0.11 -1.70 -0.07 0.00 0.31 0.00 0.00 61.69 60.34 2noc s THR 38 Cb 0.03 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.90 2noc s THR 38 CO 0.06 -0.72 0.12 -0.75 -0.69 0.00 0.00 174.62 172.64 2noc s LYS 39 N -3.95 2.64 0.00 4.92 2.20 -1.26 0.01 119.74 124.30 2noc s LYS 39 Ca 0.13 -1.18 0.29 0.00 -0.36 0.00 0.00 55.97 54.85 2noc s LYS 39 Cb 0.07 -3.51 1.28 0.00 -1.51 0.00 0.00 37.83 34.17 2noc s LYS 39 CO -0.06 -0.68 1.89 0.44 -0.36 0.00 0.00 175.35 176.58 2noc n ILE 40 N 4.84 0.00 0.00 5.43 -5.35 -1.25 -4.99 119.36 118.03 2noc n ILE 40 Ca -0.12 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2noc n ILE 40 Cb 0.45 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 2noc n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2noc n GLY 41 N 1.22 3.24 3.75 3.28 0.00 -1.26 -5.11 105.19 110.31 2noc n GLY 41 Ca 0.17 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2noc n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2noc s THR 42 N -2.00 4.38 0.33 2.61 2.01 -1.26 -3.59 115.64 118.12 2noc s THR 42 Ca 0.00 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.21 2noc s THR 42 Cb 0.00 -3.12 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 2noc s THR 42 CO 0.00 0.09 -0.07 0.27 -0.69 0.00 0.00 174.62 174.22 2noc s ILE 43 N -1.42 2.00 0.26 1.82 -4.36 -0.07 -4.99 121.20 114.44 2noc s ILE 43 Ca 0.29 -2.15 -0.07 0.00 -0.26 0.00 0.00 60.65 58.46 2noc s ILE 43 Cb -0.12 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 40.94 2noc s ILE 43 CO 0.21 -0.20 0.37 -0.94 0.24 0.00 0.00 174.94 174.63 2noc s SER 44 N -3.57 0.25 -0.17 4.36 1.04 -1.26 -0.02 113.70 114.33 2noc s SER 44 Ca 0.32 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 55.41 2noc s SER 44 Cb 0.04 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 2noc s SER 44 CO 0.15 -1.09 0.28 0.42 0.98 0.00 0.00 173.24 173.98 2noc s THR 45 N -3.82 5.31 -0.08 2.02 -4.23 -0.49 -4.91 115.64 109.43 2noc s THR 45 Ca 0.29 0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 61.26 2noc s THR 45 Cb 0.02 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.27 2noc s THR 45 CO 0.13 0.38 0.20 -0.89 -0.54 0.00 0.00 174.62 173.91 2noc s THR 46 N 0.52 -0.02 0.00 3.99 2.01 -1.26 -4.64 115.64 116.24 2noc s THR 46 Ca 0.16 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2noc s THR 46 Cb -0.13 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.08 2noc s THR 46 CO 0.03 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2noc n GLY 47 N 3.56 1.61 2.95 4.40 0.00 -1.26 -4.83 105.19 111.62 2noc n GLY 47 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2noc n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2noc n GLU 48 N -0.43 -2.29 -0.49 1.61 1.02 -1.26 -5.06 120.64 113.74 2noc n GLU 48 Ca 0.00 2.01 0.00 0.00 -0.02 0.00 0.00 57.16 59.15 2noc n GLU 48 Cb 0.00 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 2noc n GLU 48 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2noc n MET 49 N -0.35 2.24 -2.98 3.49 2.81 -1.26 -5.11 117.12 115.96 2noc n MET 49 Ca 0.09 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.65 2noc n MET 49 Cb 0.49 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.94 2noc n MET 49 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2noc s SER 50 N -0.86 6.82 0.18 7.83 0.01 -1.26 -4.85 113.70 121.57 2noc s SER 50 Ca 0.00 1.44 -0.19 0.00 1.31 0.00 0.00 55.95 58.51 2noc s SER 50 Cb 0.00 -2.44 0.13 0.00 0.21 0.00 0.00 66.02 63.92 2noc s SER 50 CO 0.00 -0.29 1.61 1.55 0.41 0.00 0.00 173.24 176.52 2noc h PRO 51 N 2.03 -0.13 0.00 12.44 0.13 -1.90 0.51 132.00 145.08 2noc h PRO 51 Ca -0.48 0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2noc h PRO 51 Cb 1.18 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2noc h PRO 51 CO 0.63 -0.09 -0.50 -0.07 -0.23 0.00 0.00 178.00 177.75 2noc h LEU 52 N -0.14 0.00 -0.14 1.56 -0.00 -1.94 -2.19 115.31 112.45 2noc h LEU 52 Ca 0.23 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.88 2noc h LEU 52 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2noc h LEU 52 CO -0.59 0.50 -0.99 -0.78 -0.00 0.00 0.00 178.44 176.59 2noc h ASP 53 N 0.00 0.38 0.09 -0.43 3.58 -1.59 -2.11 116.42 116.34 2noc h ASP 53 Ca -0.00 -0.33 -0.09 0.00 0.42 0.00 0.00 57.03 57.02 2noc h ASP 53 Cb 1.15 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2noc h ASP 53 CO 0.06 1.16 -0.31 0.00 -2.88 0.00 0.00 179.24 177.27 2noc h ALA 54 N 0.81 1.16 -0.59 -0.78 0.00 0.07 -1.93 119.26 118.00 2noc h ALA 54 Ca -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2noc h ALA 54 Cb 1.65 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2noc h ALA 54 CO 0.16 0.54 0.24 0.00 0.00 0.00 0.00 179.25 180.20 2noc h ARG 55 N 0.29 0.88 -0.81 0.00 3.08 -1.25 -1.12 114.38 115.44 2noc h ARG 55 Ca 0.04 -0.16 0.11 0.00 0.07 0.00 0.00 59.98 60.04 2noc h ARG 55 Cb 0.70 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 2noc h ARG 55 CO 0.05 0.75 0.45 0.93 -1.07 0.00 0.00 179.97 181.08 2noc h GLU 56 N 0.82 0.70 -0.41 0.04 4.39 -0.83 0.32 114.58 119.61 2noc h GLU 56 Ca 0.20 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2noc h GLU 56 Cb 0.19 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2noc h GLU 56 CO -0.02 0.47 0.16 0.22 -1.16 0.00 0.00 179.01 178.68 2noc h ASP 57 N 0.72 0.57 -0.17 1.42 3.58 -0.82 -0.41 116.42 121.30 2noc h ASP 57 Ca 0.41 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 2noc h ASP 57 Cb 0.43 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2noc h ASP 57 CO -0.28 0.58 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.59 2noc h LEU 58 N 0.52 0.30 -0.44 2.28 3.38 -0.40 0.56 115.31 121.51 2noc h LEU 58 Ca 0.14 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2noc h LEU 58 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2noc h LEU 58 CO -0.01 0.54 0.11 0.40 0.09 0.00 0.00 178.44 179.57 2noc h ILE 59 N 0.05 1.23 -0.16 1.22 2.04 -0.29 -0.58 117.51 121.02 2noc h ILE 59 Ca 0.05 -0.81 -0.22 0.00 1.00 0.00 0.00 64.86 64.88 2noc h ILE 59 Cb 0.39 0.91 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2noc h ILE 59 CO 0.01 0.29 -0.75 0.11 0.00 0.00 0.00 178.15 177.81 2noc h LYS 60 N 0.59 0.79 -0.84 2.37 1.79 -1.07 -2.70 116.57 117.50 2noc h LYS 60 Ca 0.14 -0.64 -0.02 0.00 -2.18 0.00 0.00 60.65 57.96 2noc h LYS 60 Cb 0.32 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2noc h LYS 60 CO 0.00 1.24 0.45 -0.22 -1.08 0.00 0.00 179.45 179.84 2noc h LYS 61 N 0.53 1.17 -0.81 3.15 3.64 -0.77 0.44 116.57 123.92 2noc h LYS 61 Ca -0.05 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.23 2noc h LYS 61 Cb 1.38 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 2noc h LYS 61 CO 0.16 0.86 0.51 0.00 -2.27 0.00 0.00 179.45 178.71 2noc h ALA 62 N 1.32 1.08 -0.36 5.00 0.00 -1.07 -1.94 119.26 123.27 2noc h ALA 62 Ca 0.29 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2noc h ALA 62 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2noc h ALA 62 CO -0.05 0.30 -0.23 0.22 0.00 0.00 0.00 179.25 179.50 2noc h ASP 63 N 0.97 0.72 -0.95 0.00 3.58 -0.83 0.47 116.42 120.38 2noc h ASP 63 Ca 0.33 -0.26 0.08 0.00 0.42 0.00 0.00 57.03 57.61 2noc h ASP 63 Cb 0.06 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 40.84 2noc h ASP 63 CO -0.13 0.93 0.59 -0.33 -2.88 0.00 0.00 179.24 177.42 2noc h GLU 64 N 0.62 0.99 0.00 0.28 4.39 0.52 -1.99 114.58 119.40 2noc h GLU 64 Ca 0.09 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.58 2noc h GLU 64 Cb 0.72 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2noc h GLU 64 CO 0.06 0.66 -1.18 -0.22 -1.16 0.00 0.00 179.01 177.16 2noc h LYS 65 N 1.02 0.00 -0.63 2.33 3.64 -1.26 -3.50 116.57 118.18 2noc h LYS 65 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2noc h LYS 65 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2noc h LYS 65 CO -0.21 0.35 0.00 0.41 -2.27 0.00 0.00 179.45 177.73 2noc n GLY 66 N 1.35 -0.35 3.39 5.01 0.00 0.13 -5.11 105.19 109.61 2noc n GLY 66 Ca -0.07 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 2noc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 67 N -0.08 2.29 -0.18 4.61 0.00 -1.04 -4.83 121.76 122.53 2noc s ALA 67 Ca 0.00 -1.75 0.07 0.00 0.00 0.00 0.00 51.96 50.27 2noc s ALA 67 Cb 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 23.12 22.84 2noc s ALA 67 CO 0.00 0.12 -0.09 -0.25 0.00 0.00 0.00 175.76 175.55 2noc n ASP 68 N -0.48 1.90 -4.21 0.00 8.00 0.65 -1.84 116.55 120.57 2noc n ASP 68 Ca -0.07 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.11 2noc n ASP 68 Cb 0.61 0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.72 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2noc s VAL 69 N -2.40 1.52 0.02 2.53 1.01 0.72 -2.58 120.40 121.23 2noc s VAL 69 Ca -0.20 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 60.90 2noc s VAL 69 Cb 0.06 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2noc s VAL 69 CO 0.54 0.32 -0.21 0.68 0.00 0.00 0.00 175.10 176.43 2noc s VAL 70 N -0.59 1.68 -0.25 2.92 -7.23 0.35 0.08 120.40 117.35 2noc s VAL 70 Ca 0.07 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2noc s VAL 70 Cb -0.08 -1.44 0.07 0.00 0.56 0.00 0.00 36.38 35.49 2noc s VAL 70 CO 0.00 0.30 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.38 2noc s VAL 71 N -0.70 1.41 -0.95 1.32 1.01 0.10 -4.03 120.40 118.58 2noc s VAL 71 Ca 0.08 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.55 2noc s VAL 71 Cb -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2noc s VAL 71 CO 0.01 -0.22 1.69 -0.76 0.00 0.00 0.00 175.10 175.82 2noc s LEU 72 N 1.43 3.33 0.00 3.92 1.43 -1.26 -0.34 118.68 127.19 2noc s LEU 72 Ca -0.02 -1.02 0.31 0.00 -1.03 0.00 0.00 54.13 52.37 2noc s LEU 72 Cb -0.19 -2.56 1.70 0.00 0.03 0.00 0.00 46.19 45.17 2noc s LEU 72 CO -0.09 -2.13 2.13 0.35 0.23 0.00 0.00 176.35 176.85 2noc n THR 73 N 7.36 0.00 -1.59 5.49 -2.24 -0.69 -4.78 114.28 117.83 2noc n THR 73 Ca 0.36 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.73 2noc n THR 73 Cb 0.49 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 2noc n THR 73 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2noc s SER 74 N -2.23 4.89 0.00 3.42 0.01 0.96 -4.29 113.70 116.46 2noc s SER 74 Ca 0.40 1.43 0.00 0.00 1.31 0.00 0.00 55.95 59.09 2noc s SER 74 Cb 0.21 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2noc s SER 74 CO 0.41 -2.47 0.20 0.61 0.41 0.00 0.00 173.24 172.39 2noc n GLY 75 N 5.90 -0.09 2.65 3.44 0.00 -1.26 -4.37 105.19 111.46 2noc n GLY 75 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2noc n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2noc n GLN 76 N -0.95 3.05 -3.07 1.61 -0.06 -1.26 -4.83 117.38 111.88 2noc n GLN 76 Ca 0.00 -2.56 -0.44 0.00 -2.00 0.00 0.00 57.00 52.00 2noc n GLN 76 Cb 0.00 -3.18 -0.00 0.00 -4.06 0.00 0.00 30.24 23.00 2noc n GLN 76 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2noc s THR 77 N 2.89 5.31 0.00 1.69 2.01 -1.26 -3.81 115.64 122.47 2noc s THR 77 Ca 0.51 -2.81 0.00 0.00 0.31 0.00 0.00 61.69 59.70 2noc s THR 77 Cb 0.15 -4.81 0.00 0.00 0.01 0.00 0.00 72.50 67.85 2noc s THR 77 CO -0.08 -1.48 0.00 1.21 -0.69 0.00 0.00 174.62 173.58 2noc n GLU 78 N 4.81 0.00 0.00 4.92 2.13 -1.26 -4.87 120.64 126.37 2noc n GLU 78 Ca 0.32 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2noc n GLU 78 Cb 0.42 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.12 2noc n GLU 78 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2noc n ASN 79 N -2.38 0.00 -2.30 4.31 2.85 -1.26 -4.32 115.26 112.16 2noc n ASN 79 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 2noc n ASN 79 Cb 0.00 -0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 2noc n ASN 79 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2noc n LYS 80 N -1.09 2.37 -1.64 1.20 2.85 -1.26 -4.92 118.16 115.67 2noc n LYS 80 Ca 0.00 -1.43 -0.44 0.00 -1.05 0.00 0.00 58.31 55.39 2noc n LYS 80 Cb 0.00 -2.15 -0.04 0.00 -0.65 0.00 0.00 35.03 32.19 2noc n LYS 80 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2noc n ILE 81 N 2.39 0.60 -2.11 0.58 -5.35 -1.25 -4.73 119.36 109.50 2noc n ILE 81 Ca 0.49 -0.21 -0.02 0.00 -0.27 0.00 0.00 62.75 62.75 2noc n ILE 81 Cb 0.75 -2.24 -0.02 0.00 -1.74 0.00 0.00 39.64 36.39 2noc n ILE 81 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2noc n HIS 82 N 8.41 0.00 -1.46 4.28 -0.00 -1.26 -4.74 115.22 120.45 2noc n HIS 82 Ca 0.24 -0.30 -0.12 0.00 0.46 0.00 0.00 57.72 58.01 2noc n HIS 82 Cb 0.38 0.21 0.08 0.00 -0.12 0.00 0.00 29.99 30.54 2noc n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2noc n GLY 83 N 0.11 -1.13 3.62 1.57 0.00 -1.26 -4.68 105.19 103.42 2noc n GLY 83 Ca -0.09 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2noc n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2noc s THR 84 N -2.11 0.96 -0.08 2.61 -4.23 -1.26 -1.40 115.64 110.13 2noc s THR 84 Ca 0.31 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2noc s THR 84 Cb -0.01 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.53 2noc s THR 84 CO 0.21 0.00 0.18 0.00 -0.54 0.00 0.00 174.62 174.47 2noc s ALA 85 N -3.04 -0.37 -0.30 3.99 0.00 0.97 -0.03 121.76 122.97 2noc s ALA 85 Ca 0.18 0.72 -0.10 0.00 0.00 0.00 0.00 51.96 52.76 2noc s ALA 85 Cb 0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2noc s ALA 85 CO 0.10 -0.15 0.17 -0.51 0.00 0.00 0.00 175.76 175.37 2noc s ASP 86 N 0.98 5.73 0.12 0.00 1.01 0.54 -0.89 116.67 124.16 2noc s ASP 86 Ca -0.07 -0.33 0.05 0.00 0.71 0.00 0.00 52.55 52.91 2noc s ASP 86 Cb -0.09 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2noc s ASP 86 CO -0.05 -0.15 0.05 0.27 0.21 0.00 0.00 175.17 175.50 2noc s ILE 87 N 1.68 4.19 0.01 0.77 -4.36 -1.24 0.02 121.20 122.27 2noc s ILE 87 Ca 0.06 -1.04 0.02 0.00 -0.26 0.00 0.00 60.65 59.43 2noc s ILE 87 Cb -0.17 -3.06 -0.01 0.00 1.25 0.00 0.00 42.46 40.48 2noc s ILE 87 CO 0.08 0.03 -0.06 -0.31 0.24 0.00 0.00 174.94 174.92 2noc s TYR 88 N -1.51 0.50 -0.07 1.37 1.51 0.11 -3.93 117.35 115.34 2noc s TYR 88 Ca 0.28 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 2noc s TYR 88 Cb -0.11 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 2noc s TYR 88 CO 0.20 -0.03 -0.08 0.21 -1.11 0.00 0.00 175.55 174.74 2noc s LYS 89 N -0.58 2.78 0.30 -0.62 2.47 0.10 -0.20 119.74 123.98 2noc s LYS 89 Ca -0.02 -0.58 -0.28 0.00 -1.56 0.00 0.00 55.97 53.53 2noc s LYS 89 Cb -0.04 -2.57 -0.09 0.00 -1.46 0.00 0.00 37.83 33.66 2noc s LYS 89 CO -0.00 0.62 1.05 0.21 0.16 0.00 0.00 175.35 177.39 2noc s LYS 90 N -0.69 4.58 0.29 4.03 2.36 -1.26 0.24 119.74 129.29 2noc s LYS 90 Ca 0.10 1.67 -0.05 0.00 -2.55 0.00 0.00 55.97 55.14 2noc s LYS 90 Cb -0.11 -3.06 0.07 0.00 -1.05 0.00 0.00 37.83 33.68 2noc s LYS 90 CO 0.01 0.20 0.28 1.63 1.55 0.00 0.00 175.35 179.03 2noc n LYS 91 N 0.96 -1.27 0.00 4.03 5.02 -0.77 -4.86 118.16 121.27 2noc n LYS 91 Ca 0.00 -0.45 0.09 0.00 -2.02 0.00 0.00 58.31 55.94 2noc n LYS 91 Cb 0.46 -0.39 -0.06 0.00 -0.02 0.00 0.00 35.03 35.03 2noc n LYS 91 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2noc n LEU 92 N 0.00 1.35 -4.61 -0.35 -0.00 -1.26 -4.84 117.00 107.28 2noc n LEU 92 Ca 0.04 -0.62 -0.43 0.00 -0.00 0.00 0.00 56.01 55.00 2noc n LEU 92 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 2noc n LEU 92 CO 0.10 0.28 1.53 -1.61 -0.00 0.00 0.00 177.39 177.69 2noc s GLU 93 N -2.55 3.50 -0.18 1.47 8.01 -1.26 -4.95 118.70 122.74 2noc s GLU 93 Ca 0.11 1.65 -0.12 0.00 0.01 0.00 0.00 54.97 56.62 2noc s GLU 93 Cb 0.15 -4.17 0.06 0.00 -4.31 0.00 0.00 34.13 25.86 2noc s GLU 93 CO 0.66 -1.66 0.45 -3.38 0.01 0.00 0.00 175.26 171.34 2noc s HIS 94 N 6.40 -0.62 0.37 1.61 -3.43 -1.26 -4.78 115.29 113.57 2noc s HIS 94 Ca 0.80 1.36 0.07 0.00 -0.80 0.00 0.00 55.06 56.50 2noc s HIS 94 Cb -0.26 0.28 -0.07 0.00 -1.43 0.00 0.00 32.58 31.10 2noc s HIS 94 CO 0.33 -0.33 -0.02 -1.01 -2.00 0.00 0.00 174.74 171.71 2noc s HIS 95 N 1.08 2.37 0.10 0.38 3.76 -1.26 -5.15 115.29 116.57 2noc s HIS 95 Ca -0.07 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 2noc s HIS 95 Cb -0.07 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2noc s HIS 95 CO -0.10 0.42 0.17 -1.01 -0.85 0.00 0.00 174.74 173.37 2noc s HIS 96 N -2.78 3.37 0.02 1.40 3.76 -1.26 -4.94 115.29 114.85 2noc s HIS 96 Ca 0.34 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 2noc s HIS 96 Cb 0.07 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 32.09 2noc s HIS 96 CO 0.17 0.55 0.00 0.72 -0.85 0.00 0.00 174.74 175.32 2noc n HIS 97 N 0.11 -0.17 -3.69 1.40 8.25 -1.26 -5.09 115.22 114.78 2noc n HIS 97 Ca -0.07 0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.25 2noc n HIS 97 Cb 0.52 0.28 -0.16 0.00 1.12 0.00 0.00 29.99 31.75 2noc n HIS 97 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2noc s HIS 98 N -1.11 -0.09 -2.00 4.41 -3.43 -1.26 -5.34 115.29 106.47 2noc s HIS 98 Ca 0.00 0.44 0.23 0.00 -0.80 0.00 0.00 55.06 54.93 2noc s HIS 98 Cb 0.00 -0.29 1.36 0.00 -1.43 0.00 0.00 32.58 32.22 2noc s HIS 98 CO 0.00 -0.21 1.74 -2.39 -2.00 0.00 0.00 174.74 171.87