#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4p s SER 2 N 0.00 -0.07 -0.58 1.61 0.01 -1.26 -5.12 113.70 108.30 1x4p s SER 2 Ca 0.00 -0.90 -0.23 0.00 1.31 0.00 0.00 55.95 56.13 1x4p s SER 2 Cb 0.00 0.75 0.05 0.00 0.21 0.00 0.00 66.02 67.03 1x4p s SER 2 CO 0.00 -1.46 0.90 -0.55 0.41 0.00 0.00 173.24 172.54 1x4p s SER 3 N -3.07 6.26 0.45 2.44 0.15 -1.26 -5.02 113.70 113.65 1x4p s SER 3 Ca 0.15 -0.66 -0.24 0.00 0.70 0.00 0.00 55.95 55.90 1x4p s SER 3 Cb -0.05 -2.41 -0.07 0.00 -1.71 0.00 0.00 66.02 61.78 1x4p s SER 3 CO 0.09 -1.25 1.28 -0.83 1.20 0.00 0.00 173.24 173.73 1x4p s GLY 4 N 3.10 2.87 -0.23 9.45 0.00 -1.26 -5.02 107.32 116.24 1x4p s GLY 4 Ca 0.25 1.17 0.02 0.00 0.00 0.00 0.00 44.72 46.16 1x4p s GLY 4 CO 0.15 1.70 -0.10 -0.45 0.00 0.00 0.00 173.10 174.40 1x4p s SER 5 N -0.97 3.91 0.28 1.64 0.15 -1.26 -4.93 113.70 112.52 1x4p s SER 5 Ca 0.62 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1x4p s SER 5 Cb -0.36 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1x4p s SER 5 CO 0.44 -0.17 0.00 -0.24 1.20 0.00 0.00 173.24 174.47 1x4p n SER 6 N 4.57 -0.15 -4.48 5.45 2.88 -1.26 -4.90 113.62 115.74 1x4p n SER 6 Ca -0.14 0.48 -0.43 0.00 -1.33 0.00 0.00 58.87 57.45 1x4p n SER 6 Cb 0.44 0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 64.24 1x4p n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4p s GLY 7 N -4.94 1.63 -0.87 0.46 0.00 -1.26 -4.46 107.32 97.88 1x4p s GLY 7 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1x4p s GLY 7 CO 0.00 1.70 0.28 3.33 0.00 0.00 0.00 173.10 178.41 1x4p n VAL 8 N 5.86 0.00 0.05 1.40 0.24 -1.26 -4.73 118.33 119.89 1x4p n VAL 8 Ca -0.03 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.09 1x4p n VAL 8 Cb 0.46 -0.23 -0.14 0.00 -1.47 0.00 0.00 33.84 32.46 1x4p n VAL 8 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1x4p h GLY 9 N -0.40 0.29 0.98 7.63 0.00 -1.92 -3.22 103.07 106.43 1x4p h GLY 9 Ca -0.28 -0.74 -0.16 0.00 0.00 0.00 0.00 47.33 46.15 1x4p h GLY 9 CO 0.42 0.64 -0.55 -0.84 0.00 0.00 0.00 176.54 176.21 1x4p h THR 10 N 0.07 1.33 0.62 4.70 2.02 -1.90 -3.32 112.91 116.43 1x4p h THR 10 Ca -0.29 -1.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.06 1x4p h THR 10 Cb 2.03 2.02 0.01 0.00 -1.74 0.00 0.00 68.15 70.46 1x4p h THR 10 CO 0.15 0.56 -0.30 0.40 0.37 0.00 0.00 175.52 176.69 1x4p h ILE 11 N 0.31 0.38 -1.42 3.11 2.04 -1.94 -0.29 117.51 119.71 1x4p h ILE 11 Ca -0.02 0.00 0.46 0.00 1.00 0.00 0.00 64.86 66.30 1x4p h ILE 11 Cb 1.17 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 37.52 1x4p h ILE 11 CO 0.12 0.00 0.95 -0.67 0.00 0.00 0.00 178.15 178.54 1x4p n ASP 12 N -5.45 0.14 -0.05 1.72 -0.08 -1.21 0.49 116.55 112.10 1x4p n ASP 12 Ca -0.13 1.19 -0.20 0.00 -1.51 0.00 0.00 54.79 54.14 1x4p n ASP 12 Cb 0.35 -0.59 -0.13 0.00 2.34 0.00 0.00 41.12 43.09 1x4p n ASP 12 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1x4p h GLN 13 N 0.00 0.10 0.34 -0.67 1.08 -1.53 -3.34 115.11 111.09 1x4p h GLN 13 Ca 0.83 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.85 1x4p h GLN 13 Cb 2.85 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 30.32 1x4p h GLN 13 CO -0.32 1.08 -0.44 1.25 -0.95 0.00 0.00 178.83 179.45 1x4p h LEU 14 N -0.69 -1.24 -0.97 1.46 5.85 0.18 -2.37 115.31 117.53 1x4p h LEU 14 Ca -0.27 0.11 0.25 0.00 0.84 0.00 0.00 57.88 58.81 1x4p h LEU 14 Cb 1.45 0.42 -0.18 0.00 0.37 0.00 0.00 40.66 42.72 1x4p h LEU 14 CO -0.06 -0.55 -0.03 0.58 -0.34 0.00 0.00 178.44 178.05 1x4p h VAL 15 N -0.80 0.05 -0.80 1.05 2.07 -1.04 1.32 116.25 118.09 1x4p h VAL 15 Ca -0.04 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1x4p h VAL 15 Cb 0.72 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1x4p h VAL 15 CO -0.11 0.00 0.52 0.07 0.02 0.00 0.00 177.57 178.08 1x4p h LYS 16 N 0.02 0.67 0.49 1.57 2.10 -1.55 -1.81 116.57 118.05 1x4p h LYS 16 Ca 0.56 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 59.14 1x4p h LYS 16 Cb 1.09 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1x4p h LYS 16 CO -0.91 0.44 -0.23 0.00 -2.00 0.00 0.00 179.45 176.74 1x4p h ARG 17 N 0.69 -0.63 -0.05 0.07 3.08 0.20 0.21 114.38 117.95 1x4p h ARG 17 Ca 0.38 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.49 1x4p h ARG 17 Cb 0.53 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1x4p h ARG 17 CO -0.15 -0.33 0.18 -0.39 -1.07 0.00 0.00 179.97 178.21 1x4p h VAL 18 N -0.88 0.11 0.00 2.04 -1.51 -1.02 0.70 116.25 115.69 1x4p h VAL 18 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1x4p h VAL 18 Cb 0.59 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1x4p h VAL 18 CO 0.11 0.00 -0.19 0.40 -1.23 0.00 0.00 177.57 176.66 1x4p h ILE 19 N 0.00 0.00 0.00 7.19 1.08 -1.00 -3.36 117.51 121.42 1x4p h ILE 19 Ca 0.02 -0.94 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1x4p h ILE 19 Cb 0.39 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.14 1x4p h ILE 19 CO -0.00 0.00 -0.04 -0.33 -0.69 0.00 0.00 178.15 177.09 1x4p h GLU 20 N -0.94 0.00 0.00 2.37 5.08 -0.68 -3.46 114.58 116.95 1x4p h GLU 20 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x4p h GLU 20 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1x4p h GLU 20 CO 0.00 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1x4p n GLY 21 N -0.43 1.18 0.49 -3.84 0.00 0.24 -4.88 105.19 97.95 1x4p n GLY 21 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.24 1x4p n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x4p h SER 22 N 0.00 0.00 -3.32 1.61 0.87 -1.84 -3.37 113.55 107.50 1x4p h SER 22 Ca 0.00 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 1x4p h SER 22 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 1x4p h SER 22 CO 0.00 0.00 -0.63 -1.48 -0.53 0.00 0.00 176.83 174.19 1x4p s LEU 23 N -6.33 3.58 1.01 2.23 2.34 -1.26 -5.10 118.68 115.15 1x4p s LEU 23 Ca -0.02 0.05 -0.11 0.00 0.06 0.00 0.00 54.13 54.10 1x4p s LEU 23 Cb 0.12 -2.00 0.19 0.00 -0.56 0.00 0.00 46.19 43.93 1x4p s LEU 23 CO 0.40 0.30 1.04 -1.20 -1.06 0.00 0.00 176.35 175.83 1x4p n SER 24 N 1.54 -0.49 0.12 1.48 7.64 -1.26 -4.91 113.62 117.74 1x4p n SER 24 Ca -0.15 0.22 -0.01 0.00 1.01 0.00 0.00 58.87 59.94 1x4p n SER 24 Cb 0.53 -1.39 0.22 0.00 -1.01 0.00 0.00 64.21 62.57 1x4p n SER 24 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1x4p h PRO 25 N -2.14 0.14 0.03 1.43 0.13 -1.99 -3.12 132.00 126.50 1x4p h PRO 25 Ca -0.49 -0.08 -0.25 0.00 -0.87 0.00 0.00 66.00 64.32 1x4p h PRO 25 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1x4p h PRO 25 CO 0.43 0.59 -1.04 -0.22 -0.23 0.00 0.00 178.00 177.53 1x4p h LYS 26 N 0.12 0.47 -0.93 0.86 1.63 -2.02 -3.27 116.57 113.43 1x4p h LYS 26 Ca 0.01 -0.55 0.19 0.00 -0.85 0.00 0.00 60.65 59.45 1x4p h LYS 26 Cb 0.88 0.17 -0.11 0.00 -0.60 0.00 0.00 32.23 32.57 1x4p h LYS 26 CO 0.07 1.19 0.50 0.93 -3.45 0.00 0.00 179.45 178.69 1x4p h GLU 27 N 0.24 0.59 0.33 1.90 4.39 -1.91 -1.88 114.58 118.25 1x4p h GLU 27 Ca -0.11 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1x4p h GLU 27 Cb 1.70 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.18 1x4p h GLU 27 CO 0.19 0.39 -0.49 0.00 -1.16 0.00 0.00 179.01 177.94 1x4p h ARG 28 N 0.61 -0.83 -0.65 2.33 3.08 -1.62 -0.68 114.38 116.61 1x4p h ARG 28 Ca 0.55 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.81 1x4p h ARG 28 Cb 0.91 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 1x4p h ARG 28 CO -0.42 -0.56 0.45 1.15 -1.07 0.00 0.00 179.97 179.52 1x4p h THR 29 N -0.87 0.76 0.00 2.04 2.02 -1.51 0.21 112.91 115.57 1x4p h THR 29 Ca -0.03 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 1x4p h THR 29 Cb 0.80 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1x4p h THR 29 CO -0.15 0.04 -0.46 -0.07 0.37 0.00 0.00 175.52 175.25 1x4p h LEU 30 N 0.20 0.00 -0.92 2.58 3.38 -0.57 -3.13 115.31 116.86 1x4p h LEU 30 Ca 0.31 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.50 1x4p h LEU 30 Cb 0.96 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1x4p h LEU 30 CO -0.06 0.46 0.46 -0.07 0.09 0.00 0.00 178.44 179.32 1x4p h LEU 31 N 0.00 0.46 -1.45 1.67 3.38 0.87 0.37 115.31 120.60 1x4p h LEU 31 Ca -0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1x4p h LEU 31 Cb 0.90 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1x4p h LEU 31 CO 0.06 0.08 0.40 0.11 0.09 0.00 0.00 178.44 179.17 1x4p h LYS 32 N 0.50 0.70 0.00 1.13 1.57 -1.64 0.75 116.57 119.57 1x4p h LYS 32 Ca 0.56 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1x4p h LYS 32 Cb 1.02 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1x4p h LYS 32 CO -0.48 0.46 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 1x4p n GLU 33 N -4.46 0.15 -3.48 3.15 1.02 0.13 -4.69 120.64 112.45 1x4p n GLU 33 Ca 0.07 0.41 -0.36 0.00 -0.02 0.00 0.00 57.16 57.27 1x4p n GLU 33 Cb 0.13 -1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 1x4p n GLU 33 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x4p s ASP 34 N -3.97 6.75 0.27 1.62 2.15 0.26 -5.00 116.67 118.75 1x4p s ASP 34 Ca 0.04 0.93 0.05 0.00 0.43 0.00 0.00 52.55 54.00 1x4p s ASP 34 Cb 0.09 -2.23 0.39 0.00 -0.30 0.00 0.00 42.92 40.86 1x4p s ASP 34 CO 0.34 0.19 1.66 1.55 -0.17 0.00 0.00 175.17 178.73 1x4p h PRO 35 N 3.90 0.27 -0.12 4.34 0.13 -1.84 -2.95 132.00 135.73 1x4p h PRO 35 Ca -0.49 -0.14 0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1x4p h PRO 35 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4p h PRO 35 CO 0.65 0.67 0.10 0.00 -0.23 0.00 0.00 178.00 179.19 1x4p h ALA 36 N 1.31 1.91 -1.40 -0.56 0.00 -1.94 -2.43 119.26 116.16 1x4p h ALA 36 Ca 0.01 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.26 1x4p h ALA 36 Cb 0.89 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.32 1x4p h ALA 36 CO 0.07 -0.16 -0.05 0.66 0.00 0.00 0.00 179.25 179.77 1x4p n TYR 37 N -4.19 3.30 0.09 0.00 4.01 -1.11 -4.72 117.16 114.54 1x4p n TYR 37 Ca -0.00 -2.90 -0.07 0.00 -0.16 0.00 0.00 57.90 54.77 1x4p n TYR 37 Cb 0.21 -0.52 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1x4p n TYR 37 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1x4p h TRP 38 N 2.82 0.12 0.00 -0.72 5.08 -1.54 -3.16 115.95 118.55 1x4p h TRP 38 Ca 0.39 -0.07 -0.00 0.00 1.08 0.00 0.00 58.89 60.28 1x4p h TRP 38 Cb 0.57 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.71 1x4p h TRP 38 CO 0.96 0.92 -0.00 0.27 -1.28 0.00 0.00 178.44 179.31 1x4p h PHE 39 N 0.04 0.00 -0.93 0.12 -5.15 -1.86 -2.74 116.94 106.42 1x4p h PHE 39 Ca -0.03 0.00 0.25 0.00 -0.20 0.00 0.00 57.97 58.00 1x4p h PHE 39 Cb 1.53 0.00 -0.17 0.00 0.22 0.00 0.00 35.95 37.54 1x4p h PHE 39 CO 0.01 0.00 0.08 -0.07 -2.00 0.00 0.00 178.31 176.34 1x4p h LEU 40 N 0.00 -0.33 -0.40 2.10 3.38 -1.91 0.49 115.31 118.64 1x4p h LEU 40 Ca -0.00 0.25 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 1x4p h LEU 40 Cb 0.00 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1x4p h LEU 40 CO 0.00 -0.29 -0.26 0.28 0.09 0.00 0.00 178.44 178.26 1x4p h SER 41 N 0.07 0.92 -4.27 -0.43 0.02 -1.73 -3.44 113.55 104.68 1x4p h SER 41 Ca 0.57 -0.43 -0.51 0.00 -0.84 0.00 0.00 61.79 60.58 1x4p h SER 41 Cb 1.16 -0.25 0.09 0.00 0.14 0.00 0.00 62.40 63.53 1x4p h SER 41 CO -0.82 1.15 0.37 -0.62 -1.14 0.00 0.00 176.83 175.76 1x4p s ASP 42 N -6.66 5.39 0.00 3.07 2.15 0.17 -4.99 116.67 115.80 1x4p s ASP 42 Ca -0.12 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.61 1x4p s ASP 42 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1x4p s ASP 42 CO 0.86 -1.44 0.00 -0.62 -0.17 0.00 0.00 175.17 173.80 1x4p n GLU 43 N -2.72 0.66 -1.13 4.34 1.02 -1.26 -4.80 120.64 116.76 1x4p n GLU 43 Ca 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 1x4p n GLU 43 Cb 0.53 -0.85 -0.12 0.00 -0.02 0.00 0.00 31.44 30.98 1x4p n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1x4p n ASN 44 N -2.04 5.65 -3.94 1.62 5.15 -1.26 -4.68 115.26 115.76 1x4p n ASN 44 Ca 0.00 -2.71 -0.24 0.00 -0.60 0.00 0.00 54.58 51.03 1x4p n ASN 44 Cb 0.35 -1.34 -0.08 0.00 -0.53 0.00 0.00 39.78 38.17 1x4p n ASN 44 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x4p s SER 45 N 1.45 2.46 -0.18 1.20 1.04 -1.26 -5.08 113.70 113.32 1x4p s SER 45 Ca 0.61 -1.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.22 1x4p s SER 45 Cb 0.32 0.52 -0.21 0.00 0.10 0.00 0.00 66.02 66.76 1x4p s SER 45 CO -0.07 -0.96 0.18 -0.11 0.98 0.00 0.00 173.24 173.25 1x4p n LEU 46 N -0.83 2.29 0.23 2.42 -0.00 -1.26 -3.33 117.00 116.52 1x4p n LEU 46 Ca -0.03 0.28 0.08 0.00 -0.00 0.00 0.00 56.01 56.35 1x4p n LEU 46 Cb 0.64 -1.01 0.63 0.00 -0.00 0.00 0.00 43.42 43.68 1x4p n LEU 46 CO 0.34 0.60 1.08 -0.33 -0.00 0.00 0.00 177.39 179.09 1x4p h GLU 47 N -0.48 0.04 0.00 1.96 4.39 -1.97 -1.09 114.58 117.42 1x4p h GLU 47 Ca -0.44 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.10 1x4p h GLU 47 Cb 1.69 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.30 1x4p h GLU 47 CO -0.10 0.02 -0.89 -0.92 -1.16 0.00 0.00 179.01 175.96 1x4p h TYR 48 N 0.04 0.00 -0.08 4.33 5.03 -1.83 -3.23 116.97 121.22 1x4p h TYR 48 Ca 0.02 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1x4p h TYR 48 Cb 0.05 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1x4p h TYR 48 CO -0.00 0.71 -0.08 0.87 -1.32 0.00 0.00 178.16 178.34 1x4p h LYS 49 N 0.00 0.11 0.08 1.82 1.57 -1.20 -2.78 116.57 116.18 1x4p h LYS 49 Ca -0.05 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1x4p h LYS 49 Cb 1.59 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1x4p h LYS 49 CO 0.08 0.20 -0.04 1.88 -0.57 0.00 0.00 179.45 181.00 1x4p h TYR 50 N 0.11 -0.10 -1.55 -1.35 -1.99 -1.58 -0.13 116.97 110.37 1x4p h TYR 50 Ca 0.03 -0.00 0.49 0.00 2.00 0.00 0.00 58.73 61.24 1x4p h TYR 50 Cb 0.22 0.03 -0.11 0.00 2.00 0.00 0.00 36.73 38.87 1x4p h TYR 50 CO 0.00 -0.07 1.05 -0.92 -0.00 0.00 0.00 178.16 178.23 1x4p h TYR 51 N -0.98 0.33 0.11 4.88 3.20 -1.57 0.92 116.97 123.86 1x4p h TYR 51 Ca -0.01 0.02 -0.35 0.00 3.14 0.00 0.00 58.73 61.52 1x4p h TYR 51 Cb 0.09 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1x4p h TYR 51 CO 0.00 -0.16 -1.93 0.87 -1.64 0.00 0.00 178.16 175.31 1x4p h LYS 52 N 0.03 0.24 0.00 1.82 1.79 -1.58 -3.30 116.57 115.56 1x4p h LYS 52 Ca 0.87 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1x4p h LYS 52 Cb 3.04 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 33.85 1x4p h LYS 52 CO -0.29 1.12 0.00 -0.11 -1.08 0.00 0.00 179.45 179.10 1x4p n LEU 53 N -3.43 0.10 -0.37 2.94 -0.00 0.25 -2.30 117.00 114.19 1x4p n LEU 53 Ca -0.29 0.56 0.37 0.00 -0.00 0.00 0.00 56.01 56.66 1x4p n LEU 53 Cb 1.05 -0.48 0.68 0.00 -0.00 0.00 0.00 43.42 44.67 1x4p n LEU 53 CO 0.44 -0.48 1.34 0.50 -0.00 0.00 0.00 177.39 179.20 1x4p h LYS 54 N 0.00 0.00 0.00 1.96 1.63 0.27 0.82 116.57 121.25 1x4p h LYS 54 Ca 0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 1x4p h LYS 54 Cb 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1x4p h LYS 54 CO 0.00 0.00 -0.60 1.25 -3.45 0.00 0.00 179.45 176.65 1x4p h LEU 55 N 0.00 0.52 -0.40 5.20 5.85 -1.64 -1.13 115.31 123.71 1x4p h LEU 55 Ca 0.62 -0.77 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1x4p h LEU 55 Cb 2.84 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 43.69 1x4p h LEU 55 CO -0.01 1.22 0.14 0.00 -0.34 0.00 0.00 178.44 179.45 1x4p h ALA 56 N 0.31 0.53 -0.20 1.25 0.00 0.10 0.21 119.26 121.47 1x4p h ALA 56 Ca -0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1x4p h ALA 56 Cb 1.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1x4p h ALA 56 CO 0.12 0.16 -0.54 1.05 0.00 0.00 0.00 179.25 180.04 1x4p h GLU 57 N 0.51 0.58 0.00 0.00 4.11 -1.30 -2.74 114.58 115.73 1x4p h GLU 57 Ca 0.13 -0.36 -0.08 0.00 0.07 0.00 0.00 59.36 59.12 1x4p h GLU 57 Cb 0.23 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1x4p h GLU 57 CO -0.01 0.97 -0.40 0.52 0.07 0.00 0.00 179.01 180.16 1x4p h MET 58 N 0.45 0.00 -0.03 1.06 2.86 -1.03 -3.20 114.93 115.04 1x4p h MET 58 Ca 0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1x4p h MET 58 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1x4p h MET 58 CO 0.10 0.40 -0.06 1.96 1.06 0.00 0.00 176.91 180.37 1x4p h GLN 59 N 0.00 0.09 -0.24 1.72 4.20 -0.42 -3.10 115.11 117.37 1x4p h GLN 59 Ca -0.00 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.71 1x4p h GLN 59 Cb 0.99 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1x4p h GLN 59 CO 0.05 0.65 0.24 0.07 -0.67 0.00 0.00 178.83 179.18 1x4p h ARG 60 N -0.45 0.00 -0.44 1.46 0.11 -1.52 -1.19 114.38 112.35 1x4p h ARG 60 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1x4p h ARG 60 Cb 0.65 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.72 1x4p h ARG 60 CO 0.01 0.00 0.15 1.03 0.10 0.00 0.00 179.97 181.26 1x4p h SER 61 N 0.00 0.64 -4.34 0.08 0.87 -1.54 -3.44 113.55 105.82 1x4p h SER 61 Ca 0.11 -0.20 -0.51 0.00 -1.23 0.00 0.00 61.79 59.96 1x4p h SER 61 Cb 0.59 -0.17 0.08 0.00 -0.44 0.00 0.00 62.40 62.47 1x4p h SER 61 CO -0.00 0.67 0.38 -0.83 -0.53 0.00 0.00 176.83 176.52 1x4p s GLY 62 N -3.06 1.69 -0.51 5.77 0.00 -0.45 -4.96 107.32 105.81 1x4p s GLY 62 Ca -0.13 0.05 -0.27 0.00 0.00 0.00 0.00 44.72 44.36 1x4p s GLY 62 CO 0.77 0.34 1.80 2.56 0.00 0.00 0.00 173.10 178.57 1x4p s PRO 63 N -5.03 2.94 0.59 2.90 0.04 -1.26 -4.99 135.00 130.18 1x4p s PRO 63 Ca 0.57 0.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 1x4p s PRO 63 Cb -0.13 -4.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.06 1x4p s PRO 63 CO 0.54 -2.35 1.02 -1.54 0.04 0.00 0.00 177.00 174.70 1x4p s SER 64 N 7.09 6.26 0.05 6.66 1.04 -1.26 -5.08 113.70 128.46 1x4p s SER 64 Ca 0.71 1.53 0.08 0.00 0.48 0.00 0.00 55.95 58.74 1x4p s SER 64 Cb -0.16 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 1x4p s SER 64 CO 0.26 -0.84 -0.21 -0.55 0.98 0.00 0.00 173.24 172.88 1x4p s SER 65 N -3.62 3.63 0.00 7.02 0.15 -1.26 -5.24 113.70 114.38 1x4p s SER 65 Ca 0.57 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1x4p s SER 65 Cb -0.11 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1x4p s SER 65 CO 0.44 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.74