#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 2.87 0.28 0.03 3.01 -1.26 -4.92 119.74 119.74 2noc s LYS 2 Ca 0.00 0.19 0.03 0.00 -1.01 0.00 0.00 55.97 55.19 2noc s LYS 2 Cb 0.00 -4.36 -0.01 0.00 -1.01 0.00 0.00 37.83 32.45 2noc s LYS 2 CO 0.00 -2.52 0.12 -2.37 0.51 0.00 0.00 175.35 171.09 2noc n THR 3 N 6.91 0.00 0.00 2.17 5.66 -1.26 -5.06 114.28 122.69 2noc n THR 3 Ca 0.15 -1.68 0.00 0.00 -3.05 0.00 0.00 64.05 59.47 2noc n THR 3 Cb 0.51 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 2noc n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2noc n GLY 4 N 0.03 -0.12 2.70 1.09 0.00 -1.26 -5.12 105.19 102.51 2noc n GLY 4 Ca -0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 1.99 -0.28 1.61 5.04 -1.26 -5.03 117.35 119.41 2noc s TYR 5 Ca 0.00 -2.44 0.01 0.00 -2.44 0.00 0.00 57.07 52.20 2noc s TYR 5 Cb 0.00 -1.86 0.17 0.00 0.35 0.00 0.00 41.96 40.62 2noc s TYR 5 CO 0.00 -0.78 0.49 0.21 -1.34 0.00 0.00 175.55 174.14 2noc s LYS 6 N 0.28 0.47 -0.21 4.97 2.20 -1.26 -5.13 119.74 121.06 2noc s LYS 6 Ca 0.19 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 2noc s LYS 6 Cb -0.22 -0.00 0.04 0.00 -1.51 0.00 0.00 37.83 36.13 2noc s LYS 6 CO -0.01 -0.86 -0.14 0.14 -0.36 0.00 0.00 175.35 174.12 2noc s VAL 7 N 2.69 1.95 -0.43 4.02 -7.23 -1.26 -5.08 120.40 115.07 2noc s VAL 7 Ca 0.13 -1.20 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 2noc s VAL 7 Cb -0.13 -1.95 0.09 0.00 0.56 0.00 0.00 36.38 34.95 2noc s VAL 7 CO -0.24 0.22 0.26 -0.04 -0.31 0.00 0.00 175.10 174.99 2noc s MET 8 N 1.26 2.49 0.07 4.82 -1.94 -1.26 -5.05 119.30 119.70 2noc s MET 8 Ca -0.02 -1.57 -0.13 0.00 -1.71 0.00 0.00 55.69 52.26 2noc s MET 8 Cb -0.16 -3.77 0.02 0.00 2.01 0.00 0.00 34.83 32.92 2noc s MET 8 CO -0.09 -1.01 0.29 -0.48 -0.01 0.00 0.00 175.02 173.72 2noc s LEU 9 N 1.37 0.96 0.00 -0.03 2.34 -1.26 -4.96 118.68 117.09 2noc s LEU 9 Ca 0.04 -0.36 0.00 0.00 0.06 0.00 0.00 54.13 53.87 2noc s LEU 9 Cb -0.24 1.35 0.00 0.00 -0.56 0.00 0.00 46.19 46.74 2noc s LEU 9 CO 0.00 -0.70 0.00 0.61 -1.06 0.00 0.00 176.35 175.21 2noc n GLY 10 N 0.22 1.37 3.53 -3.48 0.00 -1.26 -5.03 105.19 100.54 2noc n GLY 10 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2noc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc n ALA 11 N -0.32 3.68 -3.47 4.61 0.00 -1.26 -4.82 120.51 118.94 2noc n ALA 11 Ca 0.00 -3.99 0.01 0.00 0.00 0.00 0.00 53.44 49.46 2noc n ALA 11 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 19.45 15.99 2noc n ALA 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2noc s LEU 12 N 3.28 -0.68 0.26 0.00 2.96 -1.26 -5.18 118.68 118.06 2noc s LEU 12 Ca 0.50 0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 55.26 2noc s LEU 12 Cb 0.02 1.79 -0.01 0.00 0.50 0.00 0.00 46.19 48.49 2noc s LEU 12 CO 0.05 -0.13 0.43 0.00 -1.32 0.00 0.00 176.35 175.38 2noc s ALA 13 N 2.43 0.15 0.14 5.97 0.00 -1.26 -5.18 121.76 124.00 2noc s ALA 13 Ca -0.04 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.85 2noc s ALA 13 Cb -0.07 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.13 2noc s ALA 13 CO -0.18 -0.81 -0.11 -0.59 0.00 0.00 0.00 175.76 174.07 2noc s PHE 14 N -3.81 1.29 -0.19 0.00 -0.71 -1.26 -5.14 117.98 108.16 2noc s PHE 14 Ca 0.26 -0.67 -0.00 0.00 -1.04 0.00 0.00 56.93 55.48 2noc s PHE 14 Cb 0.00 -0.66 0.05 0.00 -1.21 0.00 0.00 43.02 41.20 2noc s PHE 14 CO 0.12 0.10 -0.05 0.54 -1.34 0.00 0.00 175.22 174.58 2noc s VAL 15 N -2.83 1.28 -0.04 -2.49 0.11 -1.26 -5.11 120.40 110.06 2noc s VAL 15 Ca 0.13 -0.87 -0.27 0.00 -2.93 0.00 0.00 61.98 58.04 2noc s VAL 15 Cb -0.01 -1.50 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 2noc s VAL 15 CO 0.02 0.04 0.85 0.68 -3.33 0.00 0.00 175.10 173.36 2noc s VAL 16 N 1.54 4.94 0.43 2.04 -7.23 -1.26 -5.05 120.40 115.80 2noc s VAL 16 Ca -0.02 1.77 0.06 0.00 -1.81 0.00 0.00 61.98 61.99 2noc s VAL 16 Cb -0.17 -4.19 0.07 0.00 0.56 0.00 0.00 36.38 32.66 2noc s VAL 16 CO -0.07 0.18 0.59 0.35 -0.31 0.00 0.00 175.10 175.84 2noc n THR 17 N 3.94 0.00 -4.06 5.32 -2.24 -1.26 -5.14 114.28 110.84 2noc n THR 17 Ca 0.03 -1.36 -0.11 0.00 -2.27 0.00 0.00 64.05 60.34 2noc n THR 17 Cb 0.51 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 2noc n THR 17 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2noc s ASN 18 N -3.61 0.18 0.39 3.42 3.04 -1.26 -5.15 114.94 111.95 2noc s ASN 18 Ca 0.44 -1.15 -0.26 0.00 0.04 0.00 0.00 52.86 51.93 2noc s ASN 18 Cb -0.03 0.57 -0.09 0.00 -1.54 0.00 0.00 41.25 40.15 2noc s ASN 18 CO 0.28 -1.12 1.21 0.68 -3.04 0.00 0.00 177.10 175.11 2noc s VAL 19 N -3.81 2.99 0.28 -5.21 -7.23 -1.26 -5.04 120.40 101.13 2noc s VAL 19 Ca 0.27 0.88 0.08 0.00 -1.81 0.00 0.00 61.98 61.40 2noc s VAL 19 Cb 0.01 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2noc s VAL 19 CO 0.12 0.12 0.11 -0.31 -0.31 0.00 0.00 175.10 174.83 2noc s TYR 20 N -1.33 2.85 -0.30 2.82 2.02 -1.26 -5.12 117.35 117.03 2noc s TYR 20 Ca 0.55 -0.22 -0.08 0.00 -0.37 0.00 0.00 57.07 56.95 2noc s TYR 20 Cb -0.34 -1.38 0.16 0.00 -0.40 0.00 0.00 41.96 40.00 2noc s TYR 20 CO 0.43 0.51 0.75 0.00 -1.57 0.00 0.00 175.55 175.66 2noc s ALA 21 N -2.28 -2.42 -0.71 3.71 0.00 -1.26 -5.11 121.76 113.69 2noc s ALA 21 Ca 0.34 2.01 -0.27 0.00 0.00 0.00 0.00 51.96 54.04 2noc s ALA 21 Cb -0.06 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.02 2noc s ALA 21 CO 0.22 -1.13 1.47 0.00 0.00 0.00 0.00 175.76 176.32 2noc s ALA 22 N 2.81 2.56 0.15 0.00 0.00 -1.24 -4.56 121.76 121.46 2noc s ALA 22 Ca 0.04 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.89 2noc s ALA 22 Cb -0.12 -4.29 -0.04 0.00 0.00 0.00 0.00 23.12 18.68 2noc s ALA 22 CO -0.18 -3.51 0.02 -1.21 0.00 0.00 0.00 175.76 170.88 2noc s GLU 23 N 6.14 2.53 -0.10 0.00 0.41 0.37 -4.84 118.70 123.21 2noc s GLU 23 Ca 0.46 -0.99 -0.15 0.00 -0.41 0.00 0.00 54.97 53.88 2noc s GLU 23 Cb -0.09 -2.46 -0.05 0.00 -1.78 0.00 0.00 34.13 29.75 2noc s GLU 23 CO 0.16 0.48 0.36 0.42 -0.49 0.00 0.00 175.26 176.19 2noc s ILE 24 N -1.61 5.21 0.27 -1.63 -1.09 -1.26 -1.39 121.20 119.69 2noc s ILE 24 Ca 0.28 0.71 0.12 0.00 -2.23 0.00 0.00 60.65 59.52 2noc s ILE 24 Cb -0.10 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2noc s ILE 24 CO 0.19 0.45 -0.20 -0.04 -1.23 0.00 0.00 174.94 174.12 2noc s MET 25 N -0.11 1.68 0.28 2.79 -1.94 -1.26 -5.02 119.30 115.72 2noc s MET 25 Ca 0.21 -1.73 -0.29 0.00 -1.71 0.00 0.00 55.69 52.17 2noc s MET 25 Cb -0.15 -1.79 -0.09 0.00 2.01 0.00 0.00 34.83 34.81 2noc s MET 25 CO 0.08 0.34 1.03 0.15 -0.01 0.00 0.00 175.02 176.62 2noc s LYS 26 N -3.42 4.67 0.45 2.03 1.02 -1.26 -4.82 119.74 118.40 2noc s LYS 26 Ca 0.29 1.65 0.14 0.00 0.02 0.00 0.00 55.97 58.07 2noc s LYS 26 Cb -0.05 -3.14 1.06 0.00 -0.52 0.00 0.00 37.83 35.18 2noc s LYS 26 CO 0.15 0.29 2.00 -0.22 -0.92 0.00 0.00 175.35 176.64 2noc h LYS 27 N 3.77 0.35 0.01 1.68 3.64 -2.00 0.94 116.57 124.96 2noc h LYS 27 Ca -0.46 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2noc h LYS 27 Cb 1.21 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2noc h LYS 27 CO 0.67 0.23 -0.00 1.79 -2.27 0.00 0.00 179.45 179.87 2noc h THR 28 N 0.36 1.32 0.02 1.00 1.35 -2.00 -0.16 112.91 114.81 2noc h THR 28 Ca 0.24 -0.99 -0.21 0.00 -0.55 0.00 0.00 66.41 64.91 2noc h THR 28 Cb 0.48 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 2noc h THR 28 CO -0.06 0.26 -0.94 -2.24 -0.25 0.00 0.00 175.52 172.28 2noc h ASP 29 N -0.43 0.18 -0.55 5.36 2.03 -1.76 -3.15 116.42 118.09 2noc h ASP 29 Ca -0.00 -0.16 0.02 0.00 -0.73 0.00 0.00 57.03 56.16 2noc h ASP 29 Cb 0.43 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.84 2noc h ASP 29 CO 0.00 1.02 0.34 0.15 -1.03 0.00 0.00 179.24 179.72 2noc h PHE 30 N 0.06 0.64 -0.25 4.15 3.57 0.90 0.43 116.94 126.44 2noc h PHE 30 Ca -0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2noc h PHE 30 Cb 1.61 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 2noc h PHE 30 CO 0.02 0.38 -0.15 0.22 -2.23 0.00 0.00 178.31 176.56 2noc h ASP 31 N 0.68 0.42 0.25 0.41 1.82 -1.03 0.57 116.42 119.54 2noc h ASP 31 Ca 0.22 -0.11 -0.26 0.00 -0.39 0.00 0.00 57.03 56.49 2noc h ASP 31 Cb -0.01 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 39.91 2noc h ASP 31 CO -0.08 0.59 -1.09 0.11 -1.61 0.00 0.00 179.24 177.16 2noc h LYS 32 N 0.40 0.51 0.00 0.28 6.56 -1.37 -3.24 116.57 119.71 2noc h LYS 32 Ca 0.07 -0.62 0.00 0.00 -1.06 0.00 0.00 60.65 59.04 2noc h LYS 32 Cb 0.49 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 2noc h LYS 32 CO 0.03 1.24 -0.43 1.33 -2.06 0.00 0.00 179.45 179.57 2noc n VAL 33 N -3.75 0.04 0.30 0.50 0.24 0.15 -3.32 118.33 112.48 2noc n VAL 33 Ca -0.10 -0.03 0.18 0.00 -2.04 0.00 0.00 64.34 62.35 2noc n VAL 33 Cb 0.91 0.08 0.93 0.00 -1.47 0.00 0.00 33.84 34.29 2noc n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2noc h ALA 34 N 2.94 1.10 -0.25 2.33 0.00 0.11 0.89 119.26 126.38 2noc h ALA 34 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2noc h ALA 34 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2noc h ALA 34 CO 0.00 0.04 0.20 1.03 0.00 0.00 0.00 179.25 180.52 2noc h SER 35 N 0.00 0.00 -0.42 0.00 0.87 -1.68 0.03 113.55 112.34 2noc h SER 35 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2noc h SER 35 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2noc h SER 35 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 2noc n GLU 36 N -4.23 3.95 -4.47 2.24 1.02 0.30 -4.98 120.64 114.47 2noc n GLU 36 Ca 0.03 -3.01 -0.23 0.00 -0.02 0.00 0.00 57.16 53.93 2noc n GLU 36 Cb 0.35 -2.07 -0.11 0.00 -0.02 0.00 0.00 31.44 29.60 2noc n GLU 36 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2noc s TYR 37 N -2.80 2.08 -0.13 -0.32 2.02 -0.01 -0.38 117.35 117.82 2noc s TYR 37 Ca 0.49 -0.75 -0.04 0.00 -0.37 0.00 0.00 57.07 56.40 2noc s TYR 37 Cb 0.38 -1.29 0.06 0.00 -0.40 0.00 0.00 41.96 40.72 2noc s TYR 37 CO 0.13 0.26 0.19 0.99 -1.57 0.00 0.00 175.55 175.54 2noc s THR 38 N -3.01 -0.29 0.28 -0.71 2.01 0.15 -4.66 115.64 109.42 2noc s THR 38 Ca 0.33 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 2noc s THR 38 Cb 0.06 -0.45 -0.10 0.00 0.01 0.00 0.00 72.50 72.02 2noc s THR 38 CO 0.14 0.01 1.34 -0.75 -0.69 0.00 0.00 174.62 174.67 2noc s LYS 39 N 2.31 4.34 -0.06 4.92 2.20 -1.26 -0.05 119.74 132.14 2noc s LYS 39 Ca 0.04 2.21 0.14 0.00 -0.36 0.00 0.00 55.97 58.00 2noc s LYS 39 Cb -0.13 -3.11 -0.21 0.00 -1.51 0.00 0.00 37.83 32.87 2noc s LYS 39 CO -0.08 -0.26 0.24 0.44 -0.36 0.00 0.00 175.35 175.33 2noc n ILE 40 N 1.56 0.30 0.00 5.43 -5.35 -1.22 -4.89 119.36 115.19 2noc n ILE 40 Ca 0.03 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2noc n ILE 40 Cb 0.42 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 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 1.81 1.49 3.78 3.28 0.00 -1.26 -5.12 105.19 109.17 2noc n GLY 41 Ca -0.09 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.98 4.47 0.34 2.61 2.01 -1.26 -3.24 115.64 118.58 2noc s THR 42 Ca 0.00 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.10 2noc s THR 42 Cb 0.00 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 2noc s THR 42 CO 0.00 -0.03 -0.05 0.27 -0.69 0.00 0.00 174.62 174.12 2noc s ILE 43 N -1.63 2.47 0.17 1.82 -4.36 0.39 -4.98 121.20 115.09 2noc s ILE 43 Ca 0.30 -2.10 -0.10 0.00 -0.26 0.00 0.00 60.65 58.49 2noc s ILE 43 Cb -0.11 -2.70 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 2noc s ILE 43 CO 0.23 -0.22 0.32 -0.55 0.24 0.00 0.00 174.94 174.95 2noc s SER 44 N -3.65 0.00 -0.11 4.36 0.15 -1.26 -0.23 113.70 112.95 2noc s SER 44 Ca 0.33 -0.83 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 2noc s SER 44 Cb 0.00 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.82 2noc s SER 44 CO 0.18 -0.92 0.09 0.42 1.20 0.00 0.00 173.24 174.21 2noc s THR 45 N -3.96 -0.13 -0.19 6.45 -4.23 0.91 -4.96 115.64 109.54 2noc s THR 45 Ca 0.17 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 2noc s THR 45 Cb 0.03 -0.39 0.09 0.00 1.34 0.00 0.00 72.50 73.57 2noc s THR 45 CO 0.00 -0.05 0.38 -0.89 -0.54 0.00 0.00 174.62 173.52 2noc s THR 46 N 2.18 -0.60 0.00 3.99 2.01 -1.26 -2.34 115.64 119.62 2noc s THR 46 Ca 0.04 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2noc s THR 46 Cb -0.14 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2noc s THR 46 CO -0.07 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2noc n GLY 47 N 5.38 -1.04 2.71 4.40 0.00 -1.12 -5.04 105.19 110.48 2noc n GLY 47 Ca -0.08 0.69 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 2noc n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2noc n GLU 48 N 0.00 0.79 -1.09 1.61 0.28 -1.19 -4.76 120.64 116.28 2noc n GLU 48 Ca 0.00 -1.56 0.00 0.00 -0.16 0.00 0.00 57.16 55.44 2noc n GLU 48 Cb 0.00 -0.65 0.00 0.00 1.43 0.00 0.00 31.44 32.22 2noc n GLU 48 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2noc n MET 49 N 0.23 2.18 -3.88 3.44 2.81 -1.25 -4.96 117.12 115.69 2noc n MET 49 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 2noc n MET 49 Cb 0.73 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.19 2noc n MET 49 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2noc s SER 50 N -0.65 6.39 0.09 7.83 1.04 -1.26 -4.40 113.70 122.74 2noc s SER 50 Ca 0.00 0.43 -0.27 0.00 0.48 0.00 0.00 55.95 56.59 2noc s SER 50 Cb 0.00 -2.04 -0.14 0.00 0.10 0.00 0.00 66.02 63.94 2noc s SER 50 CO 0.00 0.33 1.68 1.55 0.98 0.00 0.00 173.24 177.78 2noc h PRO 51 N 4.40 -0.38 -0.81 4.02 0.13 -1.85 -1.74 132.00 135.76 2noc h PRO 51 Ca -0.52 0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2noc h PRO 51 Cb 1.21 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2noc h PRO 51 CO 0.63 -0.26 0.33 -0.07 -0.23 0.00 0.00 178.00 178.41 2noc h LEU 52 N -0.40 1.11 -0.20 1.56 4.07 -1.96 -0.10 115.31 119.39 2noc h LEU 52 Ca -0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 2noc h LEU 52 Cb 0.35 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2noc h LEU 52 CO -0.00 0.98 0.01 0.44 -1.08 0.00 0.00 178.44 178.78 2noc h ASP 53 N 1.18 0.35 0.83 -0.43 5.19 -1.95 -1.33 116.42 120.25 2noc h ASP 53 Ca 0.27 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.29 2noc h ASP 53 Cb 0.21 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2noc h ASP 53 CO -0.02 0.56 -0.40 0.00 -3.12 0.00 0.00 179.24 176.26 2noc h ALA 54 N 0.80 0.99 -0.47 3.45 0.00 -1.17 -2.29 119.26 120.57 2noc h ALA 54 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2noc h ALA 54 Cb 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2noc h ALA 54 CO 0.01 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 179.59 2noc h ARG 55 N 0.00 0.92 -0.67 0.00 3.08 -0.73 -0.11 114.38 116.86 2noc h ARG 55 Ca -0.00 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 2noc h ARG 55 Cb 0.93 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2noc h ARG 55 CO 0.05 1.02 0.42 0.93 -1.07 0.00 0.00 179.97 181.32 2noc h GLU 56 N 0.81 0.90 -0.58 0.04 5.08 -0.85 0.27 114.58 120.24 2noc h GLU 56 Ca 0.12 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2noc h GLU 56 Cb 0.72 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2noc h GLU 56 CO 0.06 0.62 0.14 0.22 -1.00 0.00 0.00 179.01 179.04 2noc h ASP 57 N 0.92 0.88 -0.19 1.42 1.82 -0.82 0.28 116.42 120.74 2noc h ASP 57 Ca 0.24 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2noc h ASP 57 Cb -0.06 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.71 2noc h ASP 57 CO -0.05 0.89 0.10 -0.07 -1.61 0.00 0.00 179.24 178.50 2noc h LEU 58 N 0.84 0.23 -0.78 2.28 3.38 -0.33 0.36 115.31 121.30 2noc h LEU 58 Ca 0.18 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2noc h LEU 58 Cb 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2noc h LEU 58 CO 0.00 0.25 0.51 0.40 0.09 0.00 0.00 178.44 179.69 2noc h ILE 59 N 0.20 1.18 -0.07 1.22 2.04 -0.12 0.13 117.51 122.10 2noc h ILE 59 Ca 0.07 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2noc h ILE 59 Cb 0.06 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2noc h ILE 59 CO -0.01 0.19 -0.03 0.11 0.00 0.00 0.00 178.15 178.41 2noc h LYS 60 N 1.04 0.14 -0.81 2.37 1.57 -0.28 -2.75 116.57 117.86 2noc h LYS 60 Ca 0.29 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2noc h LYS 60 Cb -0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2noc h LYS 60 CO -0.07 0.50 0.54 -0.22 -0.57 0.00 0.00 179.45 179.62 2noc h LYS 61 N -0.22 1.06 -0.59 3.15 3.64 0.15 0.77 116.57 124.54 2noc h LYS 61 Ca 0.02 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2noc h LYS 61 Cb 0.45 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2noc h LYS 61 CO 0.01 0.70 0.37 0.00 -2.27 0.00 0.00 179.45 178.26 2noc h ALA 62 N 1.30 0.76 -0.47 5.00 0.00 -0.81 0.40 119.26 125.45 2noc h ALA 62 Ca 0.30 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2noc h ALA 62 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2noc h ALA 62 CO -0.07 0.11 -0.21 0.22 0.00 0.00 0.00 179.25 179.30 2noc h ASP 63 N 0.73 0.99 -0.12 0.00 1.82 -0.92 0.33 116.42 119.26 2noc h ASP 63 Ca 0.23 -0.40 -0.06 0.00 -0.39 0.00 0.00 57.03 56.41 2noc h ASP 63 Cb 0.00 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 2noc h ASP 63 CO -0.09 1.17 -0.11 -0.33 -1.61 0.00 0.00 179.24 178.27 2noc h GLU 64 N 0.81 0.45 -0.24 0.28 5.08 0.81 -1.48 114.58 120.30 2noc h GLU 64 Ca 0.11 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2noc h GLU 64 Cb 0.79 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2noc h GLU 64 CO 0.07 0.56 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.94 2noc h LYS 65 N 0.42 0.63 0.00 2.33 1.63 0.05 -3.48 116.57 118.16 2noc h LYS 65 Ca 0.08 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2noc h LYS 65 Cb 0.45 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2noc h LYS 65 CO 0.02 0.97 0.00 0.41 -3.45 0.00 0.00 179.45 177.40 2noc n GLY 66 N 0.14 1.33 3.77 5.01 0.00 -0.01 -5.08 105.19 110.35 2noc n GLY 66 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.21 -0.08 4.61 0.00 -0.48 -4.95 121.76 122.07 2noc s ALA 67 Ca 0.00 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.30 2noc s ALA 67 Cb 0.00 -3.53 -0.25 0.00 0.00 0.00 0.00 23.12 19.35 2noc s ALA 67 CO 0.00 -0.99 0.50 -0.25 0.00 0.00 0.00 175.76 175.02 2noc n ASP 68 N -0.09 1.50 -4.17 0.00 8.00 0.06 -3.94 116.55 117.91 2noc n ASP 68 Ca 0.05 0.31 -0.27 0.00 0.71 0.00 0.00 54.79 55.58 2noc n ASP 68 Cb 0.43 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.58 1.57 0.03 2.53 1.01 0.46 -0.48 120.40 122.94 2noc s VAL 69 Ca -0.14 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2noc s VAL 69 Cb 0.07 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2noc s VAL 69 CO 0.80 0.45 -0.19 0.68 0.00 0.00 0.00 175.10 176.84 2noc s VAL 70 N -0.07 1.50 -0.23 2.92 -7.23 -0.49 -0.01 120.40 116.80 2noc s VAL 70 Ca -0.02 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2noc s VAL 70 Cb -0.11 -1.30 0.06 0.00 0.56 0.00 0.00 36.38 35.59 2noc s VAL 70 CO 0.02 0.22 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.34 2noc s VAL 71 N -0.71 1.15 -0.74 1.32 1.01 0.12 -4.40 120.40 118.15 2noc s VAL 71 Ca 0.06 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2noc s VAL 71 Cb -0.08 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.81 2noc s VAL 71 CO 0.01 -0.20 1.14 -0.76 0.00 0.00 0.00 175.10 175.29 2noc s LEU 72 N 1.56 3.89 0.00 3.92 1.43 -1.26 -0.60 118.68 127.62 2noc s LEU 72 Ca -0.02 -0.90 0.27 0.00 -1.03 0.00 0.00 54.13 52.45 2noc s LEU 72 Cb -0.18 -2.48 0.97 0.00 0.03 0.00 0.00 46.19 44.52 2noc s LEU 72 CO -0.08 -1.57 1.71 0.35 0.23 0.00 0.00 176.35 176.98 2noc n THR 73 N 6.15 0.00 -1.52 5.49 -2.24 -1.03 -4.89 114.28 116.24 2noc n THR 73 Ca 0.04 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2noc n THR 73 Cb 0.48 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 2noc n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2noc n SER 74 N -1.13 2.00 0.00 3.42 3.41 0.15 -4.34 113.62 117.13 2noc n SER 74 Ca 0.11 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2noc n SER 74 Cb 0.31 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 2noc n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2noc n GLY 75 N 6.21 3.09 5.00 5.00 0.00 -1.26 -4.89 105.19 118.34 2noc n GLY 75 Ca 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.00 -3.82 1.61 7.27 -1.26 -4.09 117.38 117.09 2noc n GLN 76 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 2noc n GLN 76 Cb 0.00 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.51 2noc n GLN 76 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2noc s THR 77 N 0.00 1.82 -0.24 1.69 2.01 -1.26 -4.94 115.64 114.71 2noc s THR 77 Ca 0.00 -2.68 0.18 0.00 0.31 0.00 0.00 61.69 59.49 2noc s THR 77 Cb 0.00 -2.28 0.14 0.00 0.01 0.00 0.00 72.50 70.37 2noc s THR 77 CO 0.00 -0.82 1.48 -0.33 -0.69 0.00 0.00 174.62 174.26 2noc h GLU 78 N 6.86 0.00 0.00 4.92 5.08 -1.93 -2.37 114.58 127.14 2noc h GLU 78 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2noc h GLU 78 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2noc h GLU 78 CO 0.55 0.34 0.00 -1.71 -1.00 0.00 0.00 179.01 177.19 2noc n ASN 79 N -3.17 0.00 -0.84 1.42 4.05 -1.26 -3.60 115.26 111.86 2noc n ASN 79 Ca 0.02 0.96 0.08 0.00 0.45 0.00 0.00 54.58 56.10 2noc n ASN 79 Cb 0.67 -0.46 0.17 0.00 1.23 0.00 0.00 39.78 41.39 2noc n ASN 79 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2noc n LYS 80 N -2.10 2.23 -0.85 1.20 2.85 -1.26 -4.52 118.16 115.71 2noc n LYS 80 Ca 0.00 -2.00 0.00 0.00 -1.05 0.00 0.00 58.31 55.26 2noc n LYS 80 Cb 0.00 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 2noc n LYS 80 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2noc n ILE 81 N 0.98 -1.87 -1.92 0.58 5.41 -0.92 -2.77 119.36 118.84 2noc n ILE 81 Ca 0.14 0.88 -0.02 0.00 1.00 0.00 0.00 62.75 64.75 2noc n ILE 81 Cb 0.47 -1.40 -0.02 0.00 -0.71 0.00 0.00 39.64 37.99 2noc n ILE 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2noc n HIS 82 N -1.91 0.00 -3.67 1.39 -0.00 -1.05 -4.04 115.22 105.94 2noc n HIS 82 Ca 0.00 -0.16 -0.20 0.00 0.46 0.00 0.00 57.72 57.83 2noc n HIS 82 Cb 0.22 0.32 -0.02 0.00 -0.12 0.00 0.00 29.99 30.39 2noc n HIS 82 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2noc s GLY 83 N -0.31 1.55 0.36 1.57 0.00 -0.99 -4.80 107.32 104.70 2noc s GLY 83 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2noc s GLY 83 CO 0.00 -1.40 0.01 -1.30 0.00 0.00 0.00 173.10 170.41 2noc n THR 84 N -1.51 0.00 -3.69 0.90 -2.24 -1.26 -0.06 114.28 106.42 2noc n THR 84 Ca -0.03 -1.74 -0.11 0.00 -2.27 0.00 0.00 64.05 59.91 2noc n THR 84 Cb 0.58 0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 2noc n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2noc s ALA 85 N -2.65 -1.22 -0.23 6.98 0.00 0.68 0.30 121.76 125.62 2noc s ALA 85 Ca 0.02 1.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.55 2noc s ALA 85 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2noc s ALA 85 CO 0.01 -0.27 0.01 0.34 0.00 0.00 0.00 175.76 175.85 2noc s ASP 86 N 1.13 4.70 0.16 0.00 2.15 0.24 -0.46 116.67 124.58 2noc s ASP 86 Ca -0.07 -0.30 0.09 0.00 0.43 0.00 0.00 52.55 52.71 2noc s ASP 86 Cb -0.06 -1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 40.69 2noc s ASP 86 CO -0.10 -0.02 -0.15 0.27 -0.17 0.00 0.00 175.17 175.00 2noc s ILE 87 N 1.50 2.93 0.03 4.11 -4.36 -1.20 -0.71 121.20 123.50 2noc s ILE 87 Ca 0.06 -1.66 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 2noc s ILE 87 Cb -0.15 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 2noc s ILE 87 CO 0.00 -0.03 -0.05 -0.31 0.24 0.00 0.00 174.94 174.79 2noc s TYR 88 N -1.48 0.44 0.41 1.37 1.51 0.99 -3.45 117.35 117.13 2noc s TYR 88 Ca 0.22 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.89 2noc s TYR 88 Cb -0.09 -0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.46 2noc s TYR 88 CO 0.12 -0.12 0.40 0.15 -1.11 0.00 0.00 175.55 175.00 2noc s LYS 89 N -1.35 2.60 0.36 -0.62 -0.14 0.93 -0.40 119.74 121.11 2noc s LYS 89 Ca -0.11 -1.47 -0.17 0.00 -1.36 0.00 0.00 55.97 52.86 2noc s LYS 89 Cb -0.09 -2.45 -0.10 0.00 -1.68 0.00 0.00 37.83 33.52 2noc s LYS 89 CO -0.00 -0.19 0.81 0.15 -0.76 0.00 0.00 175.35 175.36 2noc s LYS 90 N -4.16 4.07 0.53 1.68 1.02 -1.26 0.32 119.74 121.94 2noc s LYS 90 Ca 0.49 0.82 -0.09 0.00 0.02 0.00 0.00 55.97 57.21 2noc s LYS 90 Cb -0.04 -2.34 0.13 0.00 -0.52 0.00 0.00 37.83 35.05 2noc s LYS 90 CO 0.29 0.09 0.59 1.63 -0.92 0.00 0.00 175.35 177.02 2noc n LYS 91 N -0.49 -1.25 -0.66 1.68 5.02 0.49 -4.60 118.16 118.36 2noc n LYS 91 Ca 0.05 -0.93 -0.05 0.00 -2.02 0.00 0.00 58.31 55.36 2noc n LYS 91 Cb 0.53 -0.72 0.18 0.00 -0.02 0.00 0.00 35.03 35.01 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 4.62 -4.51 -0.35 -0.00 -1.26 -4.94 117.00 110.56 2noc n LEU 92 Ca 0.08 -2.40 -0.37 0.00 -0.00 0.00 0.00 56.01 53.32 2noc n LEU 92 Cb 0.28 -0.66 -0.14 0.00 -0.00 0.00 0.00 43.42 42.89 2noc n LEU 92 CO 0.20 0.66 2.15 -1.84 -0.00 0.00 0.00 177.39 178.56 2noc n GLU 93 N -0.07 0.16 -2.99 1.47 -0.00 -1.26 -4.92 120.64 113.02 2noc n GLU 93 Ca 0.27 -0.03 -0.32 0.00 -0.00 0.00 0.00 57.16 57.08 2noc n GLU 93 Cb 1.03 -1.75 -0.05 0.00 -0.00 0.00 0.00 31.44 30.67 2noc n GLU 93 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2noc s HIS 94 N 8.23 3.39 -0.36 -1.84 -3.43 -1.26 -4.51 115.29 115.51 2noc s HIS 94 Ca 1.29 1.23 -0.12 0.00 -0.80 0.00 0.00 55.06 56.66 2noc s HIS 94 Cb -1.02 -2.56 0.02 0.00 -1.43 0.00 0.00 32.58 27.59 2noc s HIS 94 CO 0.46 -0.00 0.36 0.72 -2.00 0.00 0.00 174.74 174.28 2noc n HIS 95 N -0.69 -3.36 -1.61 0.38 8.25 -1.26 -4.77 115.22 112.17 2noc n HIS 95 Ca 0.04 1.41 -0.38 0.00 -0.26 0.00 0.00 57.72 58.54 2noc n HIS 95 Cb 0.53 -3.63 -0.03 0.00 1.12 0.00 0.00 29.99 27.98 2noc n HIS 95 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2noc s HIS 96 N -2.06 1.14 -0.50 4.41 0.09 -1.26 -4.78 115.29 112.33 2noc s HIS 96 Ca 0.16 1.33 0.08 0.00 -0.00 0.00 0.00 55.06 56.63 2noc s HIS 96 Cb -0.04 -3.68 0.51 0.00 -0.00 0.00 0.00 32.58 29.37 2noc s HIS 96 CO 0.74 -2.79 1.32 1.58 -0.00 0.00 0.00 174.74 175.59 2noc n HIS 97 N 14.91 1.38 -3.74 1.40 -0.00 -1.26 -4.77 115.22 123.15 2noc n HIS 97 Ca 0.34 -0.55 -0.16 0.00 -0.00 0.00 0.00 57.72 57.35 2noc n HIS 97 Cb 0.53 -0.40 -0.16 0.00 -0.00 0.00 0.00 29.99 29.96 2noc n HIS 97 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2noc s HIS 98 N -2.11 0.03 0.00 1.57 -3.43 -1.26 -5.28 115.29 104.81 2noc s HIS 98 Ca 0.34 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.79 2noc s HIS 98 Cb 0.27 -0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.12 2noc s HIS 98 CO 0.10 -0.12 0.43 0.72 -2.00 0.00 0.00 174.74 173.86