#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp n ALA 2 N 0.00 5.53 -0.69 3.04 0.00 -1.26 -4.90 120.51 122.22 2cnp n ALA 2 Ca 0.00 -3.59 -0.32 0.00 0.00 0.00 0.00 53.44 49.53 2cnp n ALA 2 Cb 0.00 -3.49 0.16 0.00 0.00 0.00 0.00 19.45 16.13 2cnp n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cnp n SER 3 N 5.70 -1.42 -0.29 0.00 7.64 -1.26 -4.26 113.62 119.74 2cnp n SER 3 Ca 0.56 0.20 0.05 0.00 1.01 0.00 0.00 58.87 60.69 2cnp n SER 3 Cb 0.34 -1.24 0.14 0.00 -1.01 0.00 0.00 64.21 62.44 2cnp n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2cnp h PRO 4 N -1.92 0.03 -0.08 1.43 0.11 -1.99 0.27 132.00 129.85 2cnp h PRO 4 Ca -0.48 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2cnp h PRO 4 Cb 1.30 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 2cnp h PRO 4 CO 0.39 0.02 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.97 2cnp h LEU 5 N 0.03 -0.48 -0.73 2.35 3.38 -1.99 0.31 115.31 118.18 2cnp h LEU 5 Ca 0.42 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 2cnp h LEU 5 Cb 0.71 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2cnp h LEU 5 CO -0.81 -0.21 0.40 -0.78 0.09 0.00 0.00 178.44 177.13 2cnp h ASP 6 N -0.22 0.91 0.13 -0.43 3.58 -0.89 0.15 116.42 119.65 2cnp h ASP 6 Ca 0.08 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2cnp h ASP 6 Cb 0.33 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2cnp h ASP 6 CO -0.21 0.74 -0.06 -0.61 -2.88 0.00 0.00 179.24 176.23 2cnp h GLN 7 N 1.01 -0.16 -0.31 0.28 5.75 -0.63 0.22 115.11 121.26 2cnp h GLN 7 Ca 0.26 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.75 2cnp h GLN 7 Cb 0.03 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2cnp h GLN 7 CO -0.04 -0.09 0.13 0.00 -2.65 0.00 0.00 178.83 176.17 2cnp h ALA 8 N 0.69 0.40 -0.25 3.38 0.00 -0.54 0.17 119.26 123.11 2cnp h ALA 8 Ca -0.02 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2cnp h ALA 8 Cb 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2cnp h ALA 8 CO 0.03 -0.00 -0.15 0.82 0.00 0.00 0.00 179.25 179.95 2cnp h ILE 9 N 0.36 0.56 -0.66 0.00 2.04 -0.69 -0.92 117.51 118.20 2cnp h ILE 9 Ca 0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.10 2cnp h ILE 9 Cb 0.18 0.56 -0.11 0.00 -0.74 0.00 0.00 36.82 36.70 2cnp h ILE 9 CO -0.01 0.00 0.00 1.23 0.00 0.00 0.00 178.15 179.37 2cnp h GLY 10 N -0.13 0.71 0.66 5.37 0.00 0.23 0.14 103.07 110.05 2cnp h GLY 10 Ca 0.14 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2cnp h GLY 10 CO -0.33 -0.22 -0.23 1.41 0.00 0.00 0.00 176.54 177.17 2cnp h LEU 11 N 0.12 -0.63 -0.66 3.11 3.38 -0.01 0.22 115.31 120.84 2cnp h LEU 11 Ca 0.35 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.41 2cnp h LEU 11 Cb 0.57 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2cnp h LEU 11 CO -0.56 -0.33 0.41 -0.07 0.09 0.00 0.00 178.44 177.98 2cnp h LEU 12 N -0.46 0.68 -0.03 1.67 4.07 0.01 0.69 115.31 121.94 2cnp h LEU 12 Ca 0.01 -0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.00 2cnp h LEU 12 Cb 0.45 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 2cnp h LEU 12 CO -0.10 0.47 -0.12 0.40 -1.08 0.00 0.00 178.44 178.02 2cnp h ILE 13 N 0.81 0.69 -0.12 1.22 2.04 -0.64 -0.04 117.51 121.48 2cnp h ILE 13 Ca 0.26 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.16 2cnp h ILE 13 Cb 0.01 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2cnp h ILE 13 CO -0.10 0.00 -0.13 1.23 0.00 0.00 0.00 178.15 179.15 2cnp h GLY 14 N -0.19 -0.06 0.70 5.37 0.00 0.23 0.70 103.07 109.82 2cnp h GLY 14 Ca 0.06 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.59 2cnp h GLY 14 CO -0.15 -0.14 0.22 -2.22 0.00 0.00 0.00 176.54 174.26 2cnp h ILE 15 N -0.16 0.93 0.28 2.60 1.08 -0.81 0.17 117.51 121.59 2cnp h ILE 15 Ca 0.09 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2cnp h ILE 15 Cb 0.29 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 2cnp h ILE 15 CO -0.21 0.08 -0.49 0.15 -0.69 0.00 0.00 178.15 176.99 2cnp h PHE 16 N 0.43 -1.38 -0.33 1.37 3.57 -0.17 -2.78 116.94 117.66 2cnp h PHE 16 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2cnp h PHE 16 Cb 0.14 0.56 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2cnp h PHE 16 CO -0.12 -0.61 0.10 1.25 -2.23 0.00 0.00 178.31 176.71 2cnp h HIS 17 N -0.83 0.47 -0.67 0.41 2.76 -0.56 0.98 115.15 117.72 2cnp h HIS 17 Ca -0.02 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.25 2cnp h HIS 17 Cb 0.78 -0.15 -0.09 0.00 1.55 0.00 0.00 27.41 29.51 2cnp h HIS 17 CO -0.35 0.40 0.21 -0.22 -1.30 0.00 0.00 177.93 176.67 2cnp h LYS 18 N 0.47 0.35 0.01 5.26 3.64 -0.40 0.37 116.57 126.27 2cnp h LYS 18 Ca 0.11 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.23 2cnp h LYS 18 Cb 0.15 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2cnp h LYS 18 CO -0.01 0.23 -1.29 1.88 -2.27 0.00 0.00 179.45 177.99 2cnp h TYR 19 N 0.36 0.02 -1.02 1.91 -1.99 -1.26 -3.35 116.97 111.64 2cnp h TYR 19 Ca 0.36 -0.02 0.25 0.00 2.00 0.00 0.00 58.73 61.32 2cnp h TYR 19 Cb 0.52 -0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.16 2cnp h TYR 19 CO -0.20 1.51 0.66 0.77 -0.00 0.00 0.00 178.16 180.89 2cnp h SER 20 N -0.95 0.46 -0.54 3.88 0.02 -0.84 -2.03 113.55 113.55 2cnp h SER 20 Ca -0.35 0.08 0.19 0.00 -0.84 0.00 0.00 61.79 60.87 2cnp h SER 20 Cb 1.34 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.78 2cnp h SER 20 CO -0.20 0.11 0.18 0.61 -1.14 0.00 0.00 176.83 176.39 2cnp n GLY 21 N -1.47 -0.54 0.12 -3.77 0.00 0.13 -0.42 105.19 99.24 2cnp n GLY 21 Ca 0.24 0.47 0.13 0.00 0.00 0.00 0.00 46.02 46.86 2cnp n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cnp h LYS 22 N 0.00 0.00 -5.14 1.61 2.10 -1.59 -3.43 116.57 110.11 2cnp h LYS 22 Ca 0.40 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.43 2cnp h LYS 22 Cb 0.99 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.17 2cnp h LYS 22 CO -0.45 0.00 -0.53 -1.21 -2.00 0.00 0.00 179.45 175.26 2cnp s GLU 23 N -3.13 4.02 0.39 0.07 2.02 0.43 -5.00 118.70 117.51 2cnp s GLU 23 Ca 0.10 -0.30 0.22 0.00 0.02 0.00 0.00 54.97 55.01 2cnp s GLU 23 Cb 0.11 -3.42 1.31 0.00 0.10 0.00 0.00 34.13 32.23 2cnp s GLU 23 CO 0.62 0.12 1.61 0.78 0.02 0.00 0.00 175.26 178.41 2cnp h GLY 24 N 7.27 1.91 -6.04 -1.39 0.00 -1.83 -1.67 103.07 101.32 2cnp h GLY 24 Ca -0.38 -0.16 -0.69 0.00 0.00 0.00 0.00 47.33 46.10 2cnp h GLY 24 CO 0.67 -0.59 2.98 2.09 0.00 0.00 0.00 176.54 181.68 2cnp n ASP 25 N -5.02 3.87 -1.14 0.19 5.75 -1.26 -4.85 116.55 114.10 2cnp n ASP 25 Ca 0.36 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2cnp n ASP 25 Cb 1.26 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2cnp n ASP 25 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2cnp n LYS 26 N 6.12 0.61 -2.72 0.11 5.02 -0.63 -2.27 118.16 124.40 2cnp n LYS 26 Ca 0.53 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.78 2cnp n LYS 26 Cb 0.38 -1.20 0.09 0.00 -0.02 0.00 0.00 35.03 34.28 2cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2cnp n HIS 27 N 0.89 -0.57 -3.48 2.13 1.44 -1.26 -4.27 115.22 110.09 2cnp n HIS 27 Ca 0.00 -2.09 -0.14 0.00 -2.01 0.00 0.00 57.72 53.48 2cnp n HIS 27 Cb 0.30 0.68 -0.04 0.00 0.12 0.00 0.00 29.99 31.06 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2cnp s THR 28 N -1.62 0.00 0.24 0.61 -4.23 -0.96 -4.27 115.64 105.41 2cnp s THR 28 Ca 0.20 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.49 2cnp s THR 28 Cb 0.40 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 73.28 2cnp s THR 28 CO -0.06 0.00 0.72 -1.48 -0.54 0.00 0.00 174.62 173.26 2cnp s LEU 29 N -1.96 -0.31 0.50 4.79 0.05 -0.56 -4.50 118.68 116.69 2cnp s LEU 29 Ca -0.04 -0.47 0.05 0.00 0.05 0.00 0.00 54.13 53.72 2cnp s LEU 29 Cb -0.01 2.64 0.00 0.00 -2.05 0.00 0.00 46.19 46.78 2cnp s LEU 29 CO -0.02 -1.23 0.25 -0.94 -0.55 0.00 0.00 176.35 173.86 2cnp s SER 30 N -2.88 4.47 0.30 1.48 1.04 -1.26 -0.15 113.70 116.70 2cnp s SER 30 Ca 0.09 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.22 2cnp s SER 30 Cb -0.05 0.23 0.71 0.00 0.10 0.00 0.00 66.02 67.01 2cnp s SER 30 CO 0.03 -0.91 1.57 0.07 0.98 0.00 0.00 173.24 174.98 2cnp h LYS 31 N 1.05 0.01 -0.08 4.02 2.10 -1.88 -0.01 116.57 121.79 2cnp h LYS 31 Ca -0.40 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.26 2cnp h LYS 31 Cb 1.29 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.61 2cnp h LYS 31 CO 0.64 0.01 0.01 -0.22 -2.00 0.00 0.00 179.45 177.89 2cnp h LYS 32 N 0.01 0.04 -0.71 0.07 3.11 -1.98 0.70 116.57 117.82 2cnp h LYS 32 Ca 0.58 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.38 2cnp h LYS 32 Cb 1.16 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.35 2cnp h LYS 32 CO -0.92 0.03 0.28 0.93 -2.81 0.00 0.00 179.45 176.95 2cnp h GLU 33 N 0.04 1.05 -0.43 1.90 3.07 -1.46 -0.06 114.58 118.69 2cnp h GLU 33 Ca 0.03 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.70 2cnp h GLU 33 Cb 0.03 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 2cnp h GLU 33 CO -0.05 0.85 0.20 -0.07 -1.40 0.00 0.00 179.01 178.55 2cnp h LEU 34 N 1.02 0.56 -0.13 1.33 3.38 -0.42 0.40 115.31 121.45 2cnp h LEU 34 Ca 0.24 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2cnp h LEU 34 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2cnp h LEU 34 CO -0.02 0.53 0.01 0.11 0.09 0.00 0.00 178.44 179.17 2cnp h LYS 35 N 0.55 0.06 -0.69 1.13 1.57 -0.62 -2.13 116.57 116.44 2cnp h LYS 35 Ca 0.15 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2cnp h LYS 35 Cb 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 2cnp h LYS 35 CO -0.02 0.04 0.38 0.93 -0.57 0.00 0.00 179.45 180.22 2cnp h GLU 36 N 0.07 0.68 0.18 3.15 5.08 -0.65 0.39 114.58 123.47 2cnp h GLU 36 Ca 0.06 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2cnp h GLU 36 Cb 0.06 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2cnp h GLU 36 CO -0.09 0.45 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.94 2cnp h LEU 37 N 0.70 -1.01 0.57 1.33 3.38 0.25 0.28 115.31 120.81 2cnp h LEU 37 Ca 0.31 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 2cnp h LEU 37 Cb 0.21 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2cnp h LEU 37 CO -0.19 -0.45 -0.47 0.40 0.09 0.00 0.00 178.44 177.81 2cnp h ILE 38 N -0.62 0.00 -0.29 1.22 5.03 -1.21 -0.25 117.51 121.39 2cnp h ILE 38 Ca 0.02 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.82 2cnp h ILE 38 Cb 0.62 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.35 2cnp h ILE 38 CO -0.17 0.00 -0.16 -0.61 -0.68 0.00 0.00 178.15 176.53 2cnp h GLN 39 N -1.02 -0.12 0.30 2.37 4.15 -0.57 0.21 115.11 120.44 2cnp h GLN 39 Ca -0.07 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2cnp h GLN 39 Cb 0.86 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.58 2cnp h GLN 39 CO -0.01 -0.08 -0.14 0.87 -1.93 0.00 0.00 178.83 177.54 2cnp h LYS 40 N -0.12 -0.39 0.13 1.69 1.79 -0.50 -3.29 116.57 115.89 2cnp h LYS 40 Ca 0.15 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 2cnp h LYS 40 Cb 0.36 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2cnp h LYS 40 CO -0.37 -0.26 -0.06 0.93 -1.08 0.00 0.00 179.45 178.61 2cnp h GLU 41 N -1.00 -0.17 -2.90 3.15 4.39 -1.00 -3.30 114.58 113.75 2cnp h GLU 41 Ca -0.04 0.01 -0.72 0.00 0.34 0.00 0.00 59.36 58.95 2cnp h GLU 41 Cb 0.31 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.91 2cnp h GLU 41 CO 0.07 0.05 2.77 1.28 -1.16 0.00 0.00 179.01 182.02 2cnp n LEU 42 N -4.88 8.00 -2.85 1.33 4.77 0.72 -4.78 117.00 119.31 2cnp n LEU 42 Ca -0.04 -4.69 -0.19 0.00 -0.03 0.00 0.00 56.01 51.06 2cnp n LEU 42 Cb 0.15 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 39.75 2cnp n LEU 42 CO 0.12 1.93 2.12 1.07 -1.33 0.00 0.00 177.39 181.30 2cnp n THR 43 N 2.58 2.54 -0.07 -5.08 5.66 -1.21 -4.52 114.28 114.18 2cnp n THR 43 Ca 0.63 -1.45 -0.12 0.00 -3.05 0.00 0.00 64.05 60.06 2cnp n THR 43 Cb 0.26 -2.09 -0.06 0.00 -1.55 0.00 0.00 70.33 66.89 2cnp n THR 43 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2cnp h ILE 44 N 3.00 1.31 0.00 1.09 2.04 -1.86 -3.46 117.51 119.62 2cnp h ILE 44 Ca 0.42 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2cnp h ILE 44 Cb 0.46 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2cnp h ILE 44 CO 1.11 0.35 0.00 0.61 0.00 0.00 0.00 178.15 180.22 2cnp n GLY 45 N -0.01 1.19 3.12 5.37 0.00 -1.26 -4.59 105.19 109.01 2cnp n GLY 45 Ca -0.05 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cnp n SER 46 N 2.52 2.70 -4.52 1.61 7.64 -1.26 -4.89 113.62 117.42 2cnp n SER 46 Ca 0.00 -2.70 -0.30 0.00 1.01 0.00 0.00 58.87 56.88 2cnp n SER 46 Cb 0.00 -1.22 -0.14 0.00 -1.01 0.00 0.00 64.21 61.84 2cnp n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cnp n LYS 47 N 7.08 0.28 -0.31 1.43 4.76 -1.26 -4.80 118.16 125.34 2cnp n LYS 47 Ca 0.49 -0.13 -0.01 0.00 -2.87 0.00 0.00 58.31 55.78 2cnp n LYS 47 Cb 0.41 -2.06 0.02 0.00 -1.84 0.00 0.00 35.03 31.57 2cnp n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2cnp n LEU 48 N 11.31 -0.54 -3.53 -0.35 4.77 -1.26 -4.73 117.00 122.67 2cnp n LEU 48 Ca 0.58 1.39 -0.09 0.00 -0.03 0.00 0.00 56.01 57.86 2cnp n LEU 48 Cb 0.22 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 2cnp n LEU 48 CO 0.88 -1.24 0.54 -1.58 -1.33 0.00 0.00 177.39 174.67 2cnp s GLN 49 N -5.72 1.16 0.28 3.23 -0.44 -1.26 -5.07 119.66 111.84 2cnp s GLN 49 Ca -0.11 -0.48 0.14 0.00 -2.50 0.00 0.00 55.36 52.41 2cnp s GLN 49 Cb 0.16 0.50 0.97 0.00 -1.64 0.00 0.00 33.01 33.00 2cnp s GLN 49 CO 0.56 -0.51 1.22 -0.25 0.50 0.00 0.00 175.29 176.81 2cnp n ASP 50 N -0.35 0.22 -0.19 6.67 9.92 -1.26 -3.17 116.55 128.38 2cnp n ASP 50 Ca -0.12 1.29 -0.04 0.00 -0.53 0.00 0.00 54.79 55.39 2cnp n ASP 50 Cb 0.63 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cnp n ALA 51 N -2.56 -0.23 -0.00 2.24 0.00 -1.26 -0.37 120.51 118.33 2cnp n ALA 51 Ca 0.28 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 54.06 2cnp n ALA 51 Cb 0.94 -0.11 0.09 0.00 0.00 0.00 0.00 19.45 20.37 2cnp n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cnp h GLU 52 N 0.00 0.55 0.42 0.00 4.81 -1.87 0.15 114.58 118.64 2cnp h GLU 52 Ca 0.10 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2cnp h GLU 52 Cb 0.22 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2cnp h GLU 52 CO -0.45 0.89 -0.20 0.82 -0.73 0.00 0.00 179.01 179.34 2cnp h ILE 53 N 0.44 0.59 -0.69 2.32 5.03 -0.93 -0.55 117.51 123.72 2cnp h ILE 53 Ca 0.03 -0.23 0.10 0.00 -0.12 0.00 0.00 64.86 64.63 2cnp h ILE 53 Cb 0.97 0.70 -0.07 0.00 -3.03 0.00 0.00 36.82 35.39 2cnp h ILE 53 CO 0.09 0.04 0.32 0.58 -0.68 0.00 0.00 178.15 178.50 2cnp h VAL 54 N -0.69 0.81 0.16 1.67 2.07 -0.71 -0.11 116.25 119.45 2cnp h VAL 54 Ca -0.06 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2cnp h VAL 54 Cb 0.50 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2cnp h VAL 54 CO 0.09 0.10 -0.18 0.11 0.02 0.00 0.00 177.57 177.71 2cnp h LYS 55 N 0.54 -0.37 -0.90 1.57 6.56 -0.53 0.24 116.57 123.68 2cnp h LYS 55 Ca 0.34 0.02 0.12 0.00 -1.06 0.00 0.00 60.65 60.08 2cnp h LYS 55 Cb 0.39 0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 32.07 2cnp h LYS 55 CO -0.29 -0.24 0.58 -0.07 -2.06 0.00 0.00 179.45 177.37 2cnp h LEU 56 N -0.38 0.74 0.16 2.94 3.38 -0.00 0.90 115.31 123.04 2cnp h LEU 56 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2cnp h LEU 56 Cb 0.37 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2cnp h LEU 56 CO -0.06 0.40 -0.08 0.24 0.09 0.00 0.00 178.44 179.03 2cnp h MET 57 N 0.79 -0.21 -0.99 1.13 2.86 -0.59 -3.34 114.93 114.58 2cnp h MET 57 Ca 0.44 0.01 0.35 0.00 -2.06 0.00 0.00 59.70 58.45 2cnp h MET 57 Cb 0.58 0.05 -0.18 0.00 0.06 0.00 0.00 31.60 32.11 2cnp h MET 57 CO -0.20 -0.14 0.34 0.22 1.06 0.00 0.00 176.91 178.19 2cnp h ASP 58 N -0.30 0.01 -0.94 1.22 3.58 -0.22 -0.61 116.42 119.17 2cnp h ASP 58 Ca -0.02 0.26 0.19 0.00 0.42 0.00 0.00 57.03 57.89 2cnp h ASP 58 Cb 0.16 0.35 -0.18 0.00 1.72 0.00 0.00 39.33 41.38 2cnp h ASP 58 CO 0.04 -0.39 -0.21 -0.67 -2.88 0.00 0.00 179.24 175.13 2cnp n ASP 59 N -5.34 -0.31 -0.23 2.28 2.03 0.28 -0.44 116.55 114.82 2cnp n ASP 59 Ca 0.32 1.61 -0.07 0.00 0.52 0.00 0.00 54.79 57.16 2cnp n ASP 59 Cb 1.06 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 41.00 2cnp n ASP 59 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2cnp h LEU 60 N 0.00 0.89 -0.32 -2.67 8.10 -1.29 -0.47 115.31 119.56 2cnp h LEU 60 Ca 0.46 -0.17 -0.12 0.00 0.11 0.00 0.00 57.88 58.16 2cnp h LEU 60 Cb 0.73 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 2cnp h LEU 60 CO -0.95 0.82 -0.28 0.44 -4.11 0.00 0.00 178.44 174.35 2cnp h ASP 61 N 0.91 0.80 0.04 0.17 3.32 -1.00 0.14 116.42 120.80 2cnp h ASP 61 Ca 0.21 -0.46 0.01 0.00 0.02 0.00 0.00 57.03 56.82 2cnp h ASP 61 Cb 0.21 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2cnp h ASP 61 CO -0.02 1.09 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.41 2cnp h ARG 62 N 0.51 -0.17 0.08 3.56 2.43 -0.52 -3.32 114.38 116.95 2cnp h ARG 62 Ca 0.05 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2cnp h ARG 62 Cb 0.85 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2cnp h ARG 62 CO 0.07 -0.12 -0.76 -0.91 -1.51 0.00 0.00 179.97 176.75 2cnp h ASN 63 N -0.18 0.26 0.00 -3.80 2.35 -1.05 -3.48 115.58 109.68 2cnp h ASN 63 Ca 0.02 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 2cnp h ASN 63 Cb 0.20 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2cnp h ASN 63 CO -0.06 1.34 0.00 0.29 -1.65 0.00 0.00 177.43 177.35 2cnp n LYS 64 N -4.26 0.00 -2.47 0.81 5.02 0.50 -0.32 118.16 117.43 2cnp n LYS 64 Ca -0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.11 2cnp n LYS 64 Cb 0.72 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.80 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2cnp n ASP 65 N 2.46 0.27 -4.23 4.39 8.00 -1.26 -5.00 116.55 121.18 2cnp n ASP 65 Ca 0.00 -2.08 -0.24 0.00 0.71 0.00 0.00 54.79 53.18 2cnp n ASP 65 Cb 0.00 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2cnp s GLN 66 N -1.73 1.22 0.94 -1.24 0.74 0.56 -5.15 119.66 114.99 2cnp s GLN 66 Ca 0.20 -0.92 -0.11 0.00 0.05 0.00 0.00 55.36 54.57 2cnp s GLN 66 Cb 0.34 -1.32 0.15 0.00 1.10 0.00 0.00 33.01 33.28 2cnp s GLN 66 CO -0.08 0.33 1.09 -1.21 -0.55 0.00 0.00 175.29 174.87 2cnp s GLU 67 N -1.28 0.92 0.10 1.67 8.01 -1.26 -4.61 118.70 122.24 2cnp s GLU 67 Ca 0.06 0.95 0.08 0.00 0.01 0.00 0.00 54.97 56.06 2cnp s GLU 67 Cb -0.09 -1.76 -0.04 0.00 -4.31 0.00 0.00 34.13 27.93 2cnp s GLU 67 CO 0.02 -2.51 -0.15 0.14 0.01 0.00 0.00 175.26 172.77 2cnp s VAL 68 N -2.82 3.02 0.80 2.63 -7.23 0.79 -4.92 120.40 112.68 2cnp s VAL 68 Ca 0.65 -1.36 -0.08 0.00 -1.81 0.00 0.00 61.98 59.37 2cnp s VAL 68 Cb -0.20 -2.38 0.13 0.00 0.56 0.00 0.00 36.38 34.50 2cnp s VAL 68 CO 0.58 0.15 1.12 0.54 -0.31 0.00 0.00 175.10 177.17 2cnp s ASN 69 N -2.04 4.05 0.09 4.85 2.20 -1.26 -1.50 114.94 121.33 2cnp s ASN 69 Ca 0.18 0.10 -0.20 0.00 -0.94 0.00 0.00 52.86 52.01 2cnp s ASN 69 Cb -0.11 -0.44 -0.05 0.00 -2.00 0.00 0.00 41.25 38.65 2cnp s ASN 69 CO 0.10 -2.09 1.34 0.15 -2.94 0.00 0.00 177.10 173.66 2cnp h PHE 70 N -0.94 -1.14 -0.03 1.54 3.57 -1.98 0.37 116.94 118.33 2cnp h PHE 70 Ca -0.42 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 2cnp h PHE 70 Cb 1.27 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.56 2cnp h PHE 70 CO -0.38 -0.25 -0.21 0.37 -2.23 0.00 0.00 178.31 175.61 2cnp h GLN 71 N -0.08 0.05 -0.26 1.11 5.75 -1.97 0.18 115.11 119.89 2cnp h GLN 71 Ca 0.08 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 2cnp h GLN 71 Cb 0.29 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2cnp h GLN 71 CO -0.51 0.26 -0.03 0.93 -2.65 0.00 0.00 178.83 176.83 2cnp h GLU 72 N 0.05 0.48 -0.09 1.69 5.08 -1.74 0.36 114.58 120.40 2cnp h GLU 72 Ca 0.01 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2cnp h GLU 72 Cb 0.40 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2cnp h GLU 72 CO 0.03 0.67 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.62 2cnp h TYR 73 N 0.24 -0.43 -0.90 4.33 3.20 -0.04 0.41 116.97 123.77 2cnp h TYR 73 Ca 0.07 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.06 2cnp h TYR 73 Cb 0.48 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.88 2cnp h TYR 73 CO 0.04 -0.24 0.54 0.82 -1.64 0.00 0.00 178.16 177.68 2cnp h ILE 74 N -0.23 0.94 -0.52 1.81 1.08 -0.54 -0.13 117.51 119.92 2cnp h ILE 74 Ca 0.08 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2cnp h ILE 74 Cb 0.35 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 2cnp h ILE 74 CO -0.23 0.16 0.20 0.74 -0.69 0.00 0.00 178.15 178.34 2cnp h THR 75 N 0.90 1.19 0.09 -0.27 2.02 0.61 0.40 112.91 117.86 2cnp h THR 75 Ca 0.43 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 67.02 2cnp h THR 75 Cb 0.37 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2cnp h THR 75 CO -0.24 0.24 -0.27 0.15 0.37 0.00 0.00 175.52 175.77 2cnp h PHE 76 N 0.74 -0.73 -0.71 3.16 3.57 0.91 0.15 116.94 124.02 2cnp h PHE 76 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2cnp h PHE 76 Cb 0.16 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2cnp h PHE 76 CO 0.01 -0.37 0.25 -0.07 -2.23 0.00 0.00 178.31 175.90 2cnp h LEU 77 N -0.47 1.01 -0.11 0.59 3.38 -0.72 -0.09 115.31 118.90 2cnp h LEU 77 Ca 0.04 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2cnp h LEU 77 Cb 0.51 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2cnp h LEU 77 CO -0.17 0.93 -0.41 1.23 0.09 0.00 0.00 178.44 180.11 2cnp h GLY 78 N 1.03 0.52 0.94 0.83 0.00 -0.09 0.11 103.07 106.41 2cnp h GLY 78 Ca 0.23 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2cnp h GLY 78 CO -0.01 0.62 0.15 0.00 0.00 0.00 0.00 176.54 177.30 2cnp h ALA 79 N 0.49 0.50 -0.10 3.60 0.00 -0.71 0.10 119.26 123.14 2cnp h ALA 79 Ca -0.02 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2cnp h ALA 79 Cb 1.04 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2cnp h ALA 79 CO 0.09 0.12 -0.46 1.25 0.00 0.00 0.00 179.25 180.24 2cnp h LEU 80 N 0.48 -1.45 -0.34 0.00 5.85 -0.91 0.12 115.31 119.06 2cnp h LEU 80 Ca 0.13 0.18 0.07 0.00 0.84 0.00 0.00 57.88 59.10 2cnp h LEU 80 Cb 0.21 0.58 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 2cnp h LEU 80 CO -0.01 -0.46 -0.30 0.00 -0.34 0.00 0.00 178.44 177.33 2cnp h ALA 81 N -0.06 -0.17 -0.63 1.25 0.00 -0.59 -1.48 119.26 117.59 2cnp h ALA 81 Ca 0.06 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2cnp h ALA 81 Cb 0.66 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2cnp h ALA 81 CO -0.40 -0.71 0.19 1.98 0.00 0.00 0.00 179.25 180.32 2cnp h MET 82 N -0.26 0.99 0.12 0.00 1.85 -0.40 0.21 114.93 117.45 2cnp h MET 82 Ca 0.16 -0.22 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 2cnp h MET 82 Cb 0.52 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.41 2cnp h MET 82 CO -0.49 0.88 -0.06 0.82 -0.40 0.00 0.00 176.91 177.66 2cnp h ILE 83 N 0.92 1.02 -0.01 1.77 2.04 -0.32 -3.18 117.51 119.75 2cnp h ILE 83 Ca 0.20 -0.55 -0.26 0.00 1.00 0.00 0.00 64.86 65.26 2cnp h ILE 83 Cb 0.30 1.36 0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2cnp h ILE 83 CO -0.01 0.13 -1.02 0.10 0.00 0.00 0.00 178.15 177.36 2cnp h TYR 84 N -0.41 0.98 -0.14 1.37 -0.00 -1.25 -3.19 116.97 114.33 2cnp h TYR 84 Ca -0.02 -0.53 -0.70 0.00 0.00 0.00 0.00 58.73 57.49 2cnp h TYR 84 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 36.73 36.93 2cnp h TYR 84 CO 0.01 1.36 3.37 0.09 -0.00 0.00 0.00 178.16 182.99 2cnp n ASN 85 N -3.84 6.36 -0.34 0.10 3.02 0.74 -4.77 115.26 116.53 2cnp n ASN 85 Ca -0.10 -2.75 0.31 0.00 -0.03 0.00 0.00 54.58 52.01 2cnp n ASN 85 Cb 0.87 -1.59 0.65 0.00 -0.61 0.00 0.00 39.78 39.10 2cnp n ASN 85 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2cnp h GLU 86 N 5.46 0.15 -0.63 3.52 4.81 -1.54 0.66 114.58 127.02 2cnp h GLU 86 Ca 0.71 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 60.05 2cnp h GLU 86 Cb 0.46 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.69 2cnp h GLU 86 CO 1.81 0.10 -0.17 0.00 -0.73 0.00 0.00 179.01 180.02 2cnp n ALA 87 N -2.64 0.12 0.33 2.92 0.00 -1.26 -0.65 120.51 119.33 2cnp n ALA 87 Ca 0.27 0.68 0.22 0.00 0.00 0.00 0.00 53.44 54.61 2cnp n ALA 87 Cb 1.13 -0.40 1.14 0.00 0.00 0.00 0.00 19.45 21.33 2cnp n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cnp h LEU 88 N 0.00 0.00 -1.69 0.00 3.38 -1.09 0.21 115.31 116.12 2cnp h LEU 88 Ca 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2cnp h LEU 88 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2cnp h LEU 88 CO -0.64 0.00 -0.18 0.11 0.09 0.00 0.00 178.44 177.82 2cnp h LYS 89 N 0.00 0.00 0.00 1.13 1.57 -1.09 -3.51 116.57 114.67 2cnp h LYS 89 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cnp h LYS 89 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2cnp h LYS 89 CO 0.00 0.18 0.00 0.41 -0.57 0.00 0.00 179.45 179.47