#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2noc n LYS 2 N 0.00 -2.59 -0.01 0.03 3.00 -1.26 -4.99 118.16 112.34 2noc n LYS 2 Ca 0.00 2.23 0.00 0.00 -0.00 0.00 0.00 58.31 60.54 2noc n LYS 2 Cb 0.00 -5.07 0.00 0.00 0.00 0.00 0.00 35.03 29.96 2noc n LYS 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2noc n THR 3 N 0.12 0.00 -1.55 3.15 5.66 -1.26 -5.04 114.28 115.36 2noc n THR 3 Ca 0.06 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.66 2noc n THR 3 Cb 0.22 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.98 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 0.00 4.47 3.50 1.09 0.00 -1.26 -4.89 105.19 108.09 2noc n GLY 4 Ca 0.00 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 1.71 3.01 -0.11 1.61 5.04 -1.26 -5.10 117.35 122.25 2noc s TYR 5 Ca 0.62 -0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 2noc s TYR 5 Cb 0.17 -1.94 -0.00 0.00 0.35 0.00 0.00 41.96 40.54 2noc s TYR 5 CO -0.07 -0.02 -0.21 0.15 -1.34 0.00 0.00 175.55 174.06 2noc s LYS 6 N 0.29 3.12 -0.17 4.97 3.01 -1.26 -5.12 119.74 124.59 2noc s LYS 6 Ca -0.04 -0.83 -0.12 0.00 -1.01 0.00 0.00 55.97 53.97 2noc s LYS 6 Cb -0.14 -2.39 -0.05 0.00 -1.01 0.00 0.00 37.83 34.24 2noc s LYS 6 CO 0.03 0.16 0.23 0.54 0.51 0.00 0.00 175.35 176.82 2noc s VAL 7 N 0.40 5.35 -0.06 3.17 0.11 -1.26 -5.07 120.40 123.05 2noc s VAL 7 Ca -0.16 0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.99 2noc s VAL 7 Cb -0.17 -3.56 0.08 0.00 -1.53 0.00 0.00 36.38 31.20 2noc s VAL 7 CO 0.07 0.43 0.73 -0.32 -3.33 0.00 0.00 175.10 172.68 2noc s MET 8 N 0.28 1.00 0.22 1.54 0.00 -1.26 -5.10 119.30 115.98 2noc s MET 8 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 55.69 56.03 2noc s MET 8 Cb -0.12 0.47 0.00 0.00 0.00 0.00 0.00 34.83 35.18 2noc s MET 8 CO 0.02 -0.32 0.00 1.47 0.00 0.00 0.00 175.02 176.19 2noc n LEU 9 N 0.81 0.19 0.00 4.11 -0.00 -1.26 -5.17 117.00 115.68 2noc n LEU 9 Ca -0.17 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 2noc n LEU 9 Cb 0.58 0.18 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 2noc n LEU 9 CO 0.22 -0.75 0.00 0.61 -0.00 0.00 0.00 177.39 177.47 2noc n GLY 10 N 2.10 -1.88 3.12 1.47 0.00 -1.26 -5.01 105.19 103.72 2noc n GLY 10 Ca 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.91 -0.41 -0.03 4.61 0.00 -1.26 -5.17 121.76 117.59 2noc s ALA 11 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2noc s ALA 11 Cb 0.00 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2noc s ALA 11 CO 0.00 -0.19 0.27 -0.48 0.00 0.00 0.00 175.76 175.36 2noc s LEU 12 N -1.11 1.00 -0.29 0.00 0.05 -1.26 -5.13 118.68 111.94 2noc s LEU 12 Ca -0.12 0.12 -0.03 0.00 0.05 0.00 0.00 54.13 54.15 2noc s LEU 12 Cb -0.06 1.10 0.19 0.00 -2.05 0.00 0.00 46.19 45.37 2noc s LEU 12 CO 0.02 -0.37 0.80 0.00 -0.55 0.00 0.00 176.35 176.25 2noc s ALA 13 N -1.07 -3.09 -0.43 1.48 0.00 -1.26 -5.12 121.76 112.27 2noc s ALA 13 Ca -0.11 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.15 2noc s ALA 13 Cb -0.05 -2.62 0.12 0.00 0.00 0.00 0.00 23.12 20.57 2noc s ALA 13 CO 0.03 -1.86 0.16 -0.06 0.00 0.00 0.00 175.76 174.03 2noc s PHE 14 N 2.89 3.47 -0.30 0.00 0.08 -1.26 -5.03 117.98 117.83 2noc s PHE 14 Ca 0.17 -3.09 -0.16 0.00 0.12 0.00 0.00 56.93 53.97 2noc s PHE 14 Cb -0.07 -2.88 0.20 0.00 -0.57 0.00 0.00 43.02 39.70 2noc s PHE 14 CO -0.23 -0.85 1.23 0.54 -0.10 0.00 0.00 175.22 175.81 2noc s VAL 15 N 0.30 -0.01 -0.03 -0.44 0.11 -1.26 -5.07 120.40 114.00 2noc s VAL 15 Ca 0.14 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2noc s VAL 15 Cb -0.22 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 2noc s VAL 15 CO -0.04 0.00 -0.03 1.33 -3.33 0.00 0.00 175.10 173.03 2noc n VAL 16 N 3.22 0.17 -3.03 2.04 0.24 -1.26 -5.09 118.33 114.61 2noc n VAL 16 Ca -0.17 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 2noc n VAL 16 Cb 0.56 -0.90 0.01 0.00 -1.47 0.00 0.00 33.84 32.04 2noc n VAL 16 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2noc n THR 17 N -2.76 -9.67 -3.55 3.34 -1.04 -1.26 -5.01 114.28 94.33 2noc n THR 17 Ca -0.05 0.48 -0.38 0.00 -2.04 0.00 0.00 64.05 62.07 2noc n THR 17 Cb 0.55 -6.57 -0.06 0.00 -1.82 0.00 0.00 70.33 62.43 2noc n THR 17 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2noc s ASN 18 N -2.58 6.68 -0.04 8.00 4.22 -1.26 -5.09 114.94 124.88 2noc s ASN 18 Ca 0.19 0.81 0.05 0.00 -2.14 0.00 0.00 52.86 51.78 2noc s ASN 18 Cb -0.05 -2.22 -0.01 0.00 1.28 0.00 0.00 41.25 40.26 2noc s ASN 18 CO 0.78 0.28 -0.20 0.54 -2.04 0.00 0.00 177.10 176.46 2noc s VAL 19 N -0.72 1.65 -0.27 3.54 0.11 -1.26 -5.11 120.40 118.34 2noc s VAL 19 Ca 0.22 -0.86 -0.19 0.00 -2.93 0.00 0.00 61.98 58.22 2noc s VAL 19 Cb -0.15 -1.39 0.07 0.00 -1.53 0.00 0.00 36.38 33.38 2noc s VAL 19 CO 0.10 0.47 0.68 -0.72 -3.33 0.00 0.00 175.10 172.30 2noc s TYR 20 N -0.19 -0.93 -0.44 1.54 1.13 -1.26 -5.01 117.35 112.20 2noc s TYR 20 Ca 0.00 2.00 0.07 0.00 -1.41 0.00 0.00 57.07 57.74 2noc s TYR 20 Cb -0.11 0.47 0.34 0.00 -1.10 0.00 0.00 41.96 41.57 2noc s TYR 20 CO 0.02 -0.46 1.20 0.00 -2.51 0.00 0.00 175.55 173.80 2noc n ALA 21 N 3.66 -0.06 -1.78 9.51 0.00 -1.26 -5.06 120.51 125.53 2noc n ALA 21 Ca -0.18 -1.42 -0.42 0.00 0.00 0.00 0.00 53.44 51.42 2noc n ALA 21 Cb 0.57 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2noc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2noc s ALA 22 N 0.21 3.83 0.12 0.00 0.00 -1.14 -4.80 121.76 119.98 2noc s ALA 22 Ca 0.22 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.69 2noc s ALA 22 Cb 0.33 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2noc s ALA 22 CO -0.06 -1.02 -0.10 -2.00 0.00 0.00 0.00 175.76 172.58 2noc s GLU 23 N 1.82 0.94 0.23 0.00 2.12 -0.76 -4.87 118.70 118.18 2noc s GLU 23 Ca 0.76 -1.31 -0.20 0.00 0.36 0.00 0.00 54.97 54.57 2noc s GLU 23 Cb -0.47 -0.54 -0.08 0.00 0.26 0.00 0.00 34.13 33.30 2noc s GLU 23 CO 0.33 0.07 0.74 0.42 -0.54 0.00 0.00 175.26 176.28 2noc s ILE 24 N -2.98 4.54 0.14 -3.70 -1.09 -1.26 -0.79 121.20 116.05 2noc s ILE 24 Ca 0.11 1.33 0.06 0.00 -2.23 0.00 0.00 60.65 59.93 2noc s ILE 24 Cb 0.01 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2noc s ILE 24 CO -0.00 0.21 -0.15 -0.04 -1.23 0.00 0.00 174.94 173.73 2noc s MET 25 N -1.96 1.10 0.62 2.79 -1.94 -1.26 -4.96 119.30 113.70 2noc s MET 25 Ca 0.43 -1.32 -0.16 0.00 -1.71 0.00 0.00 55.69 52.94 2noc s MET 25 Cb -0.17 -1.00 -0.02 0.00 2.01 0.00 0.00 34.83 35.65 2noc s MET 25 CO 0.21 0.19 1.09 0.15 -0.01 0.00 0.00 175.02 176.65 2noc s LYS 26 N -2.85 3.08 0.15 2.03 1.02 -1.26 -4.79 119.74 117.12 2noc s LYS 26 Ca 0.12 1.32 -0.22 0.00 0.02 0.00 0.00 55.97 57.21 2noc s LYS 26 Cb -0.04 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 2noc s LYS 26 CO 0.04 -1.02 1.64 -0.22 -0.92 0.00 0.00 175.35 174.87 2noc h LYS 27 N 0.31 -0.22 0.04 1.68 3.64 -2.01 0.47 116.57 120.48 2noc h LYS 27 Ca -0.47 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2noc h LYS 27 Cb 1.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2noc h LYS 27 CO 0.56 -0.14 -0.02 1.15 -2.27 0.00 0.00 179.45 178.72 2noc h THR 28 N -0.23 1.10 -0.21 1.00 2.02 -1.99 0.15 112.91 114.76 2noc h THR 28 Ca 0.14 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.73 2noc h THR 28 Cb 0.43 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2noc h THR 28 CO -0.37 0.12 -0.43 -0.78 0.37 0.00 0.00 175.52 174.42 2noc h ASP 29 N -0.25 0.55 -0.64 4.18 3.58 -1.91 -2.12 116.42 119.80 2noc h ASP 29 Ca -0.01 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 2noc h ASP 29 Cb 0.23 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2noc h ASP 29 CO 0.01 0.91 0.24 0.15 -2.88 0.00 0.00 179.24 177.67 2noc h PHE 30 N 0.42 1.00 -0.08 0.28 3.57 0.07 0.32 116.94 122.52 2noc h PHE 30 Ca 0.03 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 2noc h PHE 30 Cb 0.93 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2noc h PHE 30 CO 0.03 0.80 -0.12 0.22 -2.23 0.00 0.00 178.31 177.01 2noc h ASP 31 N 0.91 0.11 0.28 0.41 3.58 -0.65 0.44 116.42 121.51 2noc h ASP 31 Ca 0.21 -0.02 -0.34 0.00 0.42 0.00 0.00 57.03 57.31 2noc h ASP 31 Cb 0.24 -0.03 0.03 0.00 1.72 0.00 0.00 39.33 41.29 2noc h ASP 31 CO -0.01 0.25 -1.52 0.11 -2.88 0.00 0.00 179.24 175.18 2noc h LYS 32 N 0.11 0.49 -0.00 0.28 6.56 -0.73 -3.30 116.57 119.99 2noc h LYS 32 Ca 0.02 -0.84 0.00 0.00 -1.06 0.00 0.00 60.65 58.77 2noc h LYS 32 Cb 0.29 0.31 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2noc h LYS 32 CO 0.02 1.40 -0.23 1.33 -2.06 0.00 0.00 179.45 179.91 2noc n VAL 33 N -3.67 0.00 0.26 0.50 0.24 0.11 -3.09 118.33 112.68 2noc n VAL 33 Ca -0.18 -0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.24 2noc n VAL 33 Cb 1.10 -0.16 0.73 0.00 -1.47 0.00 0.00 33.84 34.03 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 3.00 1.41 0.00 2.33 0.00 -0.19 0.12 119.26 125.93 2noc h ALA 34 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2noc h ALA 34 Cb 0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2noc h ALA 34 CO 0.00 0.13 -0.71 1.03 0.00 0.00 0.00 179.25 179.70 2noc h SER 35 N 0.00 0.00 0.04 0.00 0.87 -1.70 -3.17 113.55 109.59 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 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2noc h SER 35 CO 0.01 0.71 -0.12 -0.62 -0.53 0.00 0.00 176.83 176.28 2noc n GLU 36 N -3.47 1.59 -4.41 2.24 1.02 -0.06 -4.95 120.64 112.61 2noc n GLU 36 Ca 0.00 -1.11 -0.29 0.00 -0.02 0.00 0.00 57.16 55.74 2noc n GLU 36 Cb 0.75 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.63 2noc n GLU 36 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2noc n TYR 37 N 0.26 0.98 -3.71 -0.32 4.02 0.22 -3.38 117.16 115.23 2noc n TYR 37 Ca 0.15 -2.29 -0.15 0.00 -0.01 0.00 0.00 57.90 55.61 2noc n TYR 37 Cb 0.43 -0.28 -0.15 0.00 -0.02 0.00 0.00 39.34 39.33 2noc n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2noc s THR 38 N -2.69 -0.15 -0.02 -0.72 2.01 0.04 -4.86 115.64 109.24 2noc s THR 38 Ca 0.02 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 2noc s THR 38 Cb 0.00 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2noc s THR 38 CO 0.01 0.10 1.02 -0.75 -0.69 0.00 0.00 174.62 174.31 2noc s LYS 39 N 1.68 4.50 0.05 4.92 2.20 -1.26 0.03 119.74 131.86 2noc s LYS 39 Ca -0.04 1.45 0.23 0.00 -0.36 0.00 0.00 55.97 57.25 2noc s LYS 39 Cb -0.12 -3.48 0.06 0.00 -1.51 0.00 0.00 37.83 32.78 2noc s LYS 39 CO -0.06 -0.15 1.04 0.44 -0.36 0.00 0.00 175.35 176.25 2noc n ILE 40 N 4.10 0.16 0.00 5.43 -5.35 -1.25 -4.94 119.36 117.51 2noc n ILE 40 Ca 0.07 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2noc n ILE 40 Cb 0.50 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.38 3.43 3.76 3.28 0.00 -1.26 -5.13 105.19 110.63 2noc n GLY 41 Ca 0.02 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 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 4.47 0.33 2.61 2.01 -1.26 -3.74 115.64 118.07 2noc s THR 42 Ca 0.00 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.38 2noc s THR 42 Cb 0.00 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2noc s THR 42 CO 0.00 0.19 -0.01 0.27 -0.69 0.00 0.00 174.62 174.38 2noc s ILE 43 N -1.31 2.62 0.29 1.82 -4.36 -0.03 -4.97 121.20 115.26 2noc s ILE 43 Ca 0.27 -2.02 -0.12 0.00 -0.26 0.00 0.00 60.65 58.52 2noc s ILE 43 Cb -0.12 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 40.84 2noc s ILE 43 CO 0.19 -0.22 0.55 -0.94 0.24 0.00 0.00 174.94 174.76 2noc s SER 44 N -3.69 0.13 -0.01 4.36 1.04 -1.26 -0.09 113.70 114.18 2noc s SER 44 Ca 0.34 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.73 2noc s SER 44 Cb -0.00 0.66 -0.00 0.00 0.10 0.00 0.00 66.02 66.77 2noc s SER 44 CO 0.19 -1.28 -0.05 0.42 0.98 0.00 0.00 173.24 173.49 2noc s THR 45 N -3.54 0.46 -0.30 2.02 -4.23 0.36 -4.96 115.64 105.45 2noc s THR 45 Ca 0.22 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 2noc s THR 45 Cb -0.02 -0.40 0.13 0.00 1.34 0.00 0.00 72.50 73.55 2noc s THR 45 CO 0.12 0.14 0.24 -0.89 -0.54 0.00 0.00 174.62 173.69 2noc s THR 46 N -0.00 -0.26 0.00 3.99 2.01 -1.25 -3.11 115.64 117.02 2noc s THR 46 Ca 0.01 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.30 2noc s THR 46 Cb -0.04 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2noc s THR 46 CO -0.00 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 173.94 2noc n GLY 47 N 5.11 -0.92 3.04 4.40 0.00 -1.24 -5.08 105.19 110.51 2noc n GLY 47 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2noc n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2noc s GLU 48 N -0.12 0.60 0.38 1.61 -1.05 -1.26 -4.14 118.70 114.72 2noc s GLU 48 Ca 0.00 0.01 0.04 0.00 -0.15 0.00 0.00 54.97 54.88 2noc s GLU 48 Cb 0.00 -0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.58 2noc s GLU 48 CO 0.00 -1.10 0.16 -1.64 0.95 0.00 0.00 175.26 173.63 2noc s MET 49 N 2.29 1.86 0.43 -4.83 -1.94 -1.26 -5.13 119.30 110.72 2noc s MET 49 Ca 0.12 -2.12 -0.25 0.00 -1.71 0.00 0.00 55.69 51.74 2noc s MET 49 Cb -0.10 -0.36 -0.08 0.00 2.01 0.00 0.00 34.83 36.30 2noc s MET 49 CO -0.19 -0.51 1.29 -1.12 -0.01 0.00 0.00 175.02 174.48 2noc s SER 50 N -3.54 6.14 0.15 3.03 0.01 -1.26 -4.82 113.70 113.41 2noc s SER 50 Ca 0.28 2.63 -0.17 0.00 1.31 0.00 0.00 55.95 60.00 2noc s SER 50 Cb 0.03 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2noc s SER 50 CO 0.18 -0.97 1.77 1.55 0.41 0.00 0.00 173.24 176.18 2noc h PRO 51 N 2.41 0.32 -0.03 12.44 0.13 -1.99 0.39 132.00 145.66 2noc h PRO 51 Ca -0.50 -0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 64.38 2noc h PRO 51 Cb 1.25 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2noc h PRO 51 CO 0.61 0.21 -0.93 1.25 -0.23 0.00 0.00 178.00 178.92 2noc h LEU 52 N 0.33 0.71 -0.57 1.56 6.46 -1.99 -2.70 115.31 119.11 2noc h LEU 52 Ca 0.14 -0.54 -0.12 0.00 -0.12 0.00 0.00 57.88 57.25 2noc h LEU 52 Cb 0.07 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 2noc h LEU 52 CO -0.11 1.33 -0.13 -0.78 -0.62 0.00 0.00 178.44 178.13 2noc h ASP 53 N 0.33 1.01 0.28 1.25 3.58 -1.84 0.85 116.42 121.88 2noc h ASP 53 Ca -0.09 -0.34 -0.14 0.00 0.42 0.00 0.00 57.03 56.88 2noc h ASP 53 Cb 1.56 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2noc h ASP 53 CO 0.17 1.14 -0.57 0.00 -2.88 0.00 0.00 179.24 177.10 2noc h ALA 54 N 0.95 0.85 -0.08 -0.78 0.00 -0.31 0.04 119.26 119.92 2noc h ALA 54 Ca 0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2noc h ALA 54 Cb 0.70 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2noc h ALA 54 CO 0.05 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.01 2noc h ARG 55 N 0.23 0.14 -0.50 0.00 3.08 -1.11 -0.93 114.38 115.30 2noc h ARG 55 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2noc h ARG 55 Cb 1.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 2noc h ARG 55 CO 0.09 0.39 0.29 0.93 -1.07 0.00 0.00 179.97 180.60 2noc h GLU 56 N -0.13 0.67 -0.53 0.04 4.39 -0.74 0.24 114.58 118.51 2noc h GLU 56 Ca 0.02 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2noc h GLU 56 Cb 0.33 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2noc h GLU 56 CO 0.00 0.48 0.21 0.22 -1.16 0.00 0.00 179.01 178.76 2noc h ASP 57 N 0.68 0.74 0.18 1.42 3.58 -0.73 0.29 116.42 122.59 2noc h ASP 57 Ca 0.18 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2noc h ASP 57 Cb -0.01 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.85 2noc h ASP 57 CO -0.03 0.71 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.88 2noc h LEU 58 N 0.72 -0.21 -0.16 2.28 3.38 -0.29 -1.74 115.31 119.30 2noc h LEU 58 Ca 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2noc h LEU 58 Cb 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2noc h LEU 58 CO -0.01 0.05 0.10 0.40 0.09 0.00 0.00 178.44 179.06 2noc h ILE 59 N -0.47 1.07 -0.16 1.22 2.04 -0.41 -1.25 117.51 119.55 2noc h ILE 59 Ca -0.03 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 2noc h ILE 59 Cb 0.36 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2noc h ILE 59 CO 0.04 0.06 -0.42 0.11 0.00 0.00 0.00 178.15 177.95 2noc h LYS 60 N 0.19 0.37 -0.23 2.37 1.79 -0.48 0.49 116.57 121.07 2noc h LYS 60 Ca 0.06 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.25 2noc h LYS 60 Cb 0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2noc h LYS 60 CO -0.01 0.73 -0.23 -0.22 -1.08 0.00 0.00 179.45 178.65 2noc h LYS 61 N 0.31 0.55 -0.74 3.15 3.64 -1.09 0.60 116.57 122.98 2noc h LYS 61 Ca 0.03 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2noc h LYS 61 Cb 0.87 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 2noc h LYS 61 CO 0.07 0.88 0.45 0.00 -2.27 0.00 0.00 179.45 178.58 2noc h ALA 62 N 0.66 0.94 -0.79 5.00 0.00 -1.15 0.95 119.26 124.88 2noc h ALA 62 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2noc h ALA 62 Cb 0.78 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2noc h ALA 62 CO 0.06 0.41 0.50 0.22 0.00 0.00 0.00 179.25 180.44 2noc h ASP 63 N 1.01 0.83 -0.24 0.00 3.58 -0.62 -2.26 116.42 118.72 2noc h ASP 63 Ca 0.27 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.60 2noc h ASP 63 Cb -0.04 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 2noc h ASP 63 CO -0.05 0.57 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.29 2noc h GLU 64 N 0.98 0.73 0.00 0.28 5.08 0.75 -2.59 114.58 119.80 2noc h GLU 64 Ca 0.32 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2noc h GLU 64 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2noc h GLU 64 CO -0.11 0.91 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.38 2noc h LYS 65 N 0.63 0.00 0.00 2.33 3.64 -0.41 -3.46 116.57 119.29 2noc h LYS 65 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2noc h LYS 65 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2noc h LYS 65 CO 0.06 0.20 0.00 0.41 -2.27 0.00 0.00 179.45 177.85 2noc n GLY 66 N -0.42 0.66 3.70 5.01 0.00 -0.89 -5.10 105.19 108.16 2noc n GLY 66 Ca -0.01 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.63 3.35 -0.22 4.61 0.00 -0.96 -4.78 121.76 123.12 2noc s ALA 67 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 2noc s ALA 67 Cb 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 23.12 21.50 2noc s ALA 67 CO 0.00 0.64 -0.08 -3.47 0.00 0.00 0.00 175.76 172.85 2noc n ASP 68 N 1.54 2.01 -4.18 0.00 2.03 -0.58 -2.91 116.55 114.48 2noc n ASP 68 Ca -0.15 -0.01 -0.27 0.00 0.52 0.00 0.00 54.79 54.88 2noc n ASP 68 Cb 0.53 -0.57 -0.16 0.00 -0.72 0.00 0.00 41.12 40.21 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2noc s VAL 69 N -2.53 1.56 0.03 5.18 1.01 -0.46 -1.83 120.40 123.36 2noc s VAL 69 Ca -0.32 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 60.91 2noc s VAL 69 Cb 0.09 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2noc s VAL 69 CO 0.64 0.44 -0.17 0.68 0.00 0.00 0.00 175.10 176.69 2noc s VAL 70 N -0.19 1.34 -0.08 2.92 -7.23 0.03 -0.49 120.40 116.69 2noc s VAL 70 Ca 0.01 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2noc s VAL 70 Cb -0.10 -1.18 0.02 0.00 0.56 0.00 0.00 36.38 35.68 2noc s VAL 70 CO 0.01 0.14 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.19 2noc s VAL 71 N -0.75 0.82 -0.59 1.32 1.01 -0.23 -4.05 120.40 117.93 2noc s VAL 71 Ca 0.05 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 2noc s VAL 71 Cb -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2noc s VAL 71 CO 0.01 0.31 1.15 -0.76 0.00 0.00 0.00 175.10 175.82 2noc s LEU 72 N 1.38 3.56 0.00 3.92 1.43 -1.26 -0.46 118.68 127.25 2noc s LEU 72 Ca -0.02 -0.05 0.26 0.00 -1.03 0.00 0.00 54.13 53.29 2noc s LEU 72 Cb -0.14 -3.03 0.70 0.00 0.03 0.00 0.00 46.19 43.75 2noc s LEU 72 CO -0.03 -1.47 1.54 0.35 0.23 0.00 0.00 176.35 176.97 2noc n THR 73 N 6.54 0.00 -1.83 5.49 -2.24 -0.54 -4.96 114.28 116.74 2noc n THR 73 Ca 0.06 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 2noc n THR 73 Cb 0.49 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.07 6.41 -0.40 3.42 0.01 0.92 -4.41 113.70 117.57 2noc s SER 74 Ca 0.33 2.95 -0.01 0.00 1.31 0.00 0.00 55.95 60.53 2noc s SER 74 Cb 0.20 -2.65 0.22 0.00 0.21 0.00 0.00 66.02 64.01 2noc s SER 74 CO 0.35 -0.85 1.01 0.61 0.41 0.00 0.00 173.24 174.77 2noc n GLY 75 N 1.35 -1.19 0.00 3.44 0.00 -1.26 -4.89 105.19 102.65 2noc n GLY 75 Ca 0.04 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.93 2noc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2noc n GLN 76 N 2.31 0.00 0.00 1.61 1.13 -1.26 -5.01 117.38 116.16 2noc n GLN 76 Ca 0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2noc n GLN 76 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.99 2noc n GLN 76 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2noc n THR 77 N -0.21 0.00 -0.06 5.09 5.66 -1.26 -5.06 114.28 118.44 2noc n THR 77 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 2noc n THR 77 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 2noc n THR 77 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2noc n GLU 78 N 0.00 -0.06 -0.13 1.09 2.13 -1.26 -1.48 120.64 120.93 2noc n GLU 78 Ca 0.00 0.28 0.12 0.00 0.66 0.00 0.00 57.16 58.22 2noc n GLU 78 Cb 0.00 -0.42 0.47 0.00 0.27 0.00 0.00 31.44 31.76 2noc n GLU 78 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2noc h ASN 79 N 0.00 0.45 -0.86 4.31 -0.00 -1.95 -2.74 115.58 114.78 2noc h ASN 79 Ca 0.02 0.01 -0.38 0.00 -0.00 0.00 0.00 56.30 55.95 2noc h ASN 79 Cb 0.06 -0.08 -0.41 0.00 -0.00 0.00 0.00 38.32 37.89 2noc h ASN 79 CO -0.13 0.26 -1.05 2.29 -0.00 0.00 0.00 177.43 178.81 2noc n LYS 80 N -4.48 2.04 -1.63 6.67 2.85 -0.55 -4.70 118.16 118.36 2noc n LYS 80 Ca 0.11 -3.66 -0.55 0.00 -1.05 0.00 0.00 58.31 53.16 2noc n LYS 80 Cb 0.38 -1.67 -0.07 0.00 -0.65 0.00 0.00 35.03 33.02 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 -0.39 0.30 -3.08 0.58 -5.35 -0.64 -4.72 119.36 106.07 2noc n ILE 81 Ca 0.18 -0.10 -0.25 0.00 -0.27 0.00 0.00 62.75 62.31 2noc n ILE 81 Cb 0.81 -1.37 -0.04 0.00 -1.74 0.00 0.00 39.64 37.30 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 6.64 2.86 -3.11 4.28 -0.00 -1.25 -3.59 115.22 121.06 2noc n HIS 82 Ca 0.31 -3.96 -0.18 0.00 0.46 0.00 0.00 57.72 54.36 2noc n HIS 82 Cb 0.16 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.56 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 -2.98 1.95 0.27 1.57 0.00 -1.18 -4.80 107.32 102.15 2noc s GLY 83 Ca 0.45 -1.68 0.07 0.00 0.00 0.00 0.00 44.72 43.56 2noc s GLY 83 CO -0.11 -1.51 -0.08 -0.51 0.00 0.00 0.00 173.10 170.89 2noc s THR 84 N -2.35 1.73 -0.06 0.90 -4.23 -1.26 -0.49 115.64 109.88 2noc s THR 84 Ca 0.53 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.85 2noc s THR 84 Cb -0.09 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.41 2noc s THR 84 CO 0.32 -0.36 0.14 0.00 -0.54 0.00 0.00 174.62 174.18 2noc s ALA 85 N -2.96 -0.27 -0.23 3.99 0.00 0.87 -0.06 121.76 123.11 2noc s ALA 85 Ca 0.28 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2noc s ALA 85 Cb 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2noc s ALA 85 CO 0.11 -0.13 -0.02 0.34 0.00 0.00 0.00 175.76 176.06 2noc s ASP 86 N 0.88 4.43 0.18 0.00 2.15 0.39 -0.85 116.67 123.84 2noc s ASP 86 Ca -0.07 -0.37 0.10 0.00 0.43 0.00 0.00 52.55 52.64 2noc s ASP 86 Cb -0.09 -1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 40.72 2noc s ASP 86 CO -0.04 -0.03 -0.16 0.27 -0.17 0.00 0.00 175.17 175.04 2noc s ILE 87 N 1.50 2.81 0.04 4.11 -4.36 -1.24 -1.06 121.20 122.99 2noc s ILE 87 Ca 0.06 -1.80 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 2noc s ILE 87 Cb -0.14 -2.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 2noc s ILE 87 CO -0.02 -0.09 -0.08 -0.31 0.24 0.00 0.00 174.94 174.68 2noc s TYR 88 N -1.63 0.65 0.14 1.37 1.51 0.35 -3.82 117.35 115.92 2noc s TYR 88 Ca 0.22 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 2noc s TYR 88 Cb -0.09 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 2noc s TYR 88 CO 0.12 -0.07 0.07 -1.59 -1.11 0.00 0.00 175.55 172.97 2noc s LYS 89 N -1.42 2.74 0.41 -0.62 -2.85 0.10 -1.35 119.74 116.76 2noc s LYS 89 Ca -0.09 -0.87 -0.24 0.00 -1.00 0.00 0.00 55.97 53.77 2noc s LYS 89 Cb -0.09 -2.59 -0.09 0.00 -2.06 0.00 0.00 37.83 33.01 2noc s LYS 89 CO 0.00 0.50 1.08 0.21 0.10 0.00 0.00 175.35 177.25 2noc s LYS 90 N -2.79 4.06 0.00 1.78 2.20 -1.26 -0.78 119.74 122.95 2noc s LYS 90 Ca 0.29 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 2noc s LYS 90 Cb -0.11 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2noc s LYS 90 CO 0.21 -0.25 0.00 1.63 -0.36 0.00 0.00 175.35 176.58 2noc n LYS 91 N -0.16 0.40 -0.12 4.03 5.02 -1.22 -4.81 118.16 121.30 2noc n LYS 91 Ca 0.05 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.40 2noc n LYS 91 Cb 0.49 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.62 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 2.64 -4.60 -0.35 -0.00 -1.26 -4.93 117.00 108.50 2noc n LEU 92 Ca 0.00 -1.68 -0.37 0.00 -0.00 0.00 0.00 56.01 53.96 2noc n LEU 92 Cb 0.00 -0.16 -0.11 0.00 -0.00 0.00 0.00 43.42 43.15 2noc n LEU 92 CO 0.00 0.62 -0.19 -1.61 -0.00 0.00 0.00 177.39 176.21 2noc s GLU 93 N -0.99 3.96 -0.41 1.47 2.02 -1.26 -5.05 118.70 118.44 2noc s GLU 93 Ca 0.21 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.62 2noc s GLU 93 Cb 0.12 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.80 2noc s GLU 93 CO 0.16 -0.08 0.93 -1.01 0.02 0.00 0.00 175.26 175.28 2noc s HIS 94 N 1.45 3.01 -0.43 1.61 3.76 -1.26 -4.90 115.29 118.52 2noc s HIS 94 Ca 0.07 0.61 0.03 0.00 -0.15 0.00 0.00 55.06 55.62 2noc s HIS 94 Cb -0.15 -3.80 0.25 0.00 1.11 0.00 0.00 32.58 29.99 2noc s HIS 94 CO 0.08 -0.95 1.12 1.58 -0.85 0.00 0.00 174.74 175.72 2noc n HIS 95 N 6.96 0.86 -2.16 1.40 -0.00 -1.26 -4.92 115.22 116.10 2noc n HIS 95 Ca 0.07 -0.61 -0.02 0.00 0.46 0.00 0.00 57.72 57.62 2noc n HIS 95 Cb 0.48 -0.37 -0.01 0.00 -0.12 0.00 0.00 29.99 29.97 2noc n HIS 95 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2noc n HIS 96 N 0.08 -3.68 0.00 1.57 -0.00 -1.26 -5.07 115.22 106.85 2noc n HIS 96 Ca 0.15 2.17 0.00 0.00 -0.00 0.00 0.00 57.72 60.04 2noc n HIS 96 Cb 0.74 -3.43 0.00 0.00 -0.00 0.00 0.00 29.99 27.30 2noc n HIS 96 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2noc n HIS 97 N 1.39 0.00 0.00 1.57 -0.00 -1.26 -5.10 115.22 111.82 2noc n HIS 97 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2noc n HIS 97 Cb 0.20 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2noc n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2noc n HIS 98 N -1.35 0.00 -1.40 1.57 -0.00 -1.26 -5.31 115.22 107.47 2noc n HIS 98 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2noc n HIS 98 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2noc n HIS 98 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41