#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq n GLU 10 N 0.00 0.00 -3.46 5.31 -0.58 -1.26 -5.10 120.64 115.54 1sqq n GLU 10 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1sqq n GLU 10 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 1sqq n GLU 10 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1sqq s GLU 11 N -2.00 0.24 0.00 3.49 2.02 -1.26 -5.14 118.70 116.05 1sqq s GLU 11 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1sqq s GLU 11 Cb 0.00 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 33.21 1sqq s GLU 11 CO 0.00 -0.80 0.00 -1.91 0.02 0.00 0.00 175.26 172.57 1sqq n GLU 12 N 5.31 0.00 -4.20 1.61 0.00 -1.26 -5.17 120.64 116.93 1sqq n GLU 12 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.00 1sqq n GLU 12 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.82 1sqq n GLU 12 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1sqq s LEU 13 N 0.00 1.82 -0.52 4.31 2.96 -1.26 -5.17 118.68 120.82 1sqq s LEU 13 Ca 0.00 -1.23 -0.03 0.00 -0.22 0.00 0.00 54.13 52.65 1sqq s LEU 13 Cb 0.00 0.16 0.14 0.00 0.50 0.00 0.00 46.19 46.99 1sqq s LEU 13 CO 0.00 -0.69 0.33 0.68 -1.32 0.00 0.00 176.35 175.35 1sqq s VAL 14 N -3.90 3.55 -0.32 1.68 -7.23 -1.26 -5.04 120.40 107.88 1sqq s VAL 14 Ca 0.27 -2.50 -0.12 0.00 -1.81 0.00 0.00 61.98 57.82 1sqq s VAL 14 Cb 0.07 -3.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 1sqq s VAL 14 CO 0.05 -0.79 0.22 -0.62 -0.31 0.00 0.00 175.10 173.65 1sqq s ASP 15 N 1.30 6.04 0.40 4.85 2.15 -1.26 -4.97 116.67 125.18 1sqq s ASP 15 Ca 0.12 -0.26 0.28 0.00 0.43 0.00 0.00 52.55 53.12 1sqq s ASP 15 Cb -0.22 -2.13 1.03 0.00 -0.30 0.00 0.00 42.92 41.30 1sqq s ASP 15 CO -0.04 -0.16 1.82 -0.65 -0.17 0.00 0.00 175.17 175.97 1sqq h PRO 16 N 8.44 0.00 -0.07 4.34 0.11 -1.98 -2.44 132.00 140.40 1sqq h PRO 16 Ca -0.33 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.81 1sqq h PRO 16 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1sqq h PRO 16 CO 0.60 0.00 -0.52 1.25 -0.21 0.00 0.00 178.00 179.12 1sqq h LEU 17 N 0.00 -1.63 -0.39 2.35 5.85 -1.98 -1.37 115.31 118.13 1sqq h LEU 17 Ca 0.00 0.19 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 1sqq h LEU 17 Cb 0.57 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1sqq h LEU 17 CO 0.00 -0.49 -0.78 0.74 -0.34 0.00 0.00 178.44 177.58 1sqq h THR 18 N -0.61 1.43 -1.08 1.05 2.02 -1.86 0.62 112.91 114.49 1sqq h THR 18 Ca 0.02 -2.33 0.30 0.00 0.77 0.00 0.00 66.41 65.18 1sqq h THR 18 Cb 0.68 2.26 -0.12 0.00 -1.74 0.00 0.00 68.15 69.23 1sqq h THR 18 CO -0.38 0.69 0.67 0.74 0.37 0.00 0.00 175.52 177.60 1sqq h THR 19 N 0.18 0.41 0.00 3.16 2.02 -1.53 -2.20 112.91 114.94 1sqq h THR 19 Ca -0.03 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1sqq h THR 19 Cb 1.36 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1sqq h THR 19 CO 0.12 0.07 -2.06 0.55 0.37 0.00 0.00 175.52 174.57 1sqq n VAL 20 N -4.76 0.37 0.15 3.16 3.14 -0.52 -3.82 118.33 116.05 1sqq n VAL 20 Ca 0.29 -0.57 0.06 0.00 -2.96 0.00 0.00 64.34 61.15 1sqq n VAL 20 Cb 0.98 -0.12 0.54 0.00 -1.06 0.00 0.00 33.84 34.17 1sqq n VAL 20 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1sqq h ARG 21 N 0.00 0.22 0.00 1.45 3.08 0.38 -1.55 114.38 117.95 1sqq h ARG 21 Ca -0.15 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.73 1sqq h ARG 21 Cb 1.30 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1sqq h ARG 21 CO 0.01 0.17 -0.91 0.93 -1.07 0.00 0.00 179.97 179.10 1sqq h GLU 22 N 0.22 0.00 -0.09 0.04 5.08 -1.57 0.52 114.58 118.78 1sqq h GLU 22 Ca 0.06 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1sqq h GLU 22 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1sqq h GLU 22 CO -0.01 0.58 0.08 1.96 -1.00 0.00 0.00 179.01 180.62 1sqq h GLN 23 N 0.00 0.00 0.03 2.33 1.08 -1.61 -3.35 115.11 113.59 1sqq h GLN 23 Ca -0.06 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.86 1sqq h GLN 23 Cb 1.57 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.97 1sqq h GLN 23 CO 0.08 0.00 -1.52 0.00 -0.95 0.00 0.00 178.83 176.43 1sqq h GLU 25 N -0.72 0.00 0.00 0.00 5.08 -1.06 -2.91 114.58 114.97 1sqq h GLU 25 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1sqq h GLU 25 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1sqq h GLU 25 CO -0.15 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.90 1sqq n GLN 26 N -2.90 0.00 -2.42 2.33 6.02 -1.26 -3.99 117.38 115.16 1sqq n GLN 26 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 1sqq n GLN 26 Cb 0.33 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.56 1sqq n GLN 26 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1sqq s LEU 27 N 0.00 3.69 0.13 1.08 1.43 -1.10 -3.54 118.68 120.38 1sqq s LEU 27 Ca 0.00 1.71 -0.05 0.00 -1.03 0.00 0.00 54.13 54.76 1sqq s LEU 27 Cb 0.00 -4.53 0.20 0.00 0.03 0.00 0.00 46.19 41.89 1sqq s LEU 27 CO 0.00 -0.71 0.77 -0.62 0.23 0.00 0.00 176.35 176.01 1sqq n GLU 28 N -1.40 -0.06 0.18 1.70 1.02 -1.26 -3.72 120.64 117.11 1sqq n GLU 28 Ca 0.08 0.76 0.12 0.00 -0.02 0.00 0.00 57.16 58.10 1sqq n GLU 28 Cb 0.53 -1.14 0.24 0.00 -0.02 0.00 0.00 31.44 31.06 1sqq n GLU 28 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1sqq h LYS 29 N 0.00 0.00 0.28 3.49 1.79 -1.94 0.19 116.57 120.38 1sqq h LYS 29 Ca 0.22 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1sqq h LYS 29 Cb 0.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1sqq h LYS 29 CO -0.50 0.00 -0.17 0.00 -1.08 0.00 0.00 179.45 177.70 1sqq h VAL 31 N -0.43 0.74 -0.09 0.00 2.07 -0.66 0.90 116.25 118.79 1sqq h VAL 31 Ca -0.03 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1sqq h VAL 31 Cb 0.35 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1sqq h VAL 31 CO 0.03 0.09 -0.51 0.11 0.02 0.00 0.00 177.57 177.31 1sqq h LYS 32 N 0.48 0.24 0.00 1.57 1.57 -1.65 -0.11 116.57 118.66 1sqq h LYS 32 Ca 0.36 -0.14 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 1sqq h LYS 32 Cb 0.48 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1sqq h LYS 32 CO -0.34 0.70 -1.72 0.00 -0.57 0.00 0.00 179.45 177.52 1sqq n ALA 33 N -2.47 1.80 -0.29 3.86 0.00 0.02 -2.05 120.51 121.38 1sqq n ALA 33 Ca -0.02 -0.75 0.07 0.00 0.00 0.00 0.00 53.44 52.74 1sqq n ALA 33 Cb 0.55 -0.77 0.22 0.00 0.00 0.00 0.00 19.45 19.45 1sqq n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1sqq h ARG 34 N 0.00 0.60 -0.19 0.00 9.65 0.74 -2.92 114.38 122.25 1sqq h ARG 34 Ca -0.26 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.52 1sqq h ARG 34 Cb 1.78 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 30.22 1sqq h ARG 34 CO 0.05 0.40 -0.16 1.49 2.80 0.00 0.00 179.97 184.54 1sqq h GLU 35 N 0.62 0.45 0.00 0.20 4.81 -0.75 -0.49 114.58 119.41 1sqq h GLU 35 Ca 0.46 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1sqq h GLU 35 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1sqq h GLU 35 CO -0.36 0.79 0.00 2.89 -0.73 0.00 0.00 179.01 181.59 1sqq n ARG 36 N -4.49 0.14 -0.03 1.92 1.85 -0.87 -0.55 116.66 114.62 1sqq n ARG 36 Ca -0.05 0.15 -0.13 0.00 -1.00 0.00 0.00 57.85 56.81 1sqq n ARG 36 Cb 0.37 -1.67 -0.11 0.00 -1.05 0.00 0.00 32.46 30.01 1sqq n ARG 36 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1sqq h LEU 37 N 0.00 0.05 -1.11 2.89 5.85 -1.36 -2.27 115.31 119.37 1sqq h LEU 37 Ca 0.00 -0.64 -0.05 0.00 0.84 0.00 0.00 57.88 58.03 1sqq h LEU 37 Cb 0.58 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1sqq h LEU 37 CO 0.00 0.68 0.09 -0.33 -0.34 0.00 0.00 178.44 178.54 1sqq h GLU 38 N -0.57 0.72 -0.32 1.25 5.08 -0.93 0.44 114.58 120.24 1sqq h GLU 38 Ca -0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1sqq h GLU 38 Cb 0.68 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1sqq h GLU 38 CO 0.01 0.67 0.20 -0.07 -1.00 0.00 0.00 179.01 178.83 1sqq h LEU 39 N 0.70 0.34 -0.57 1.33 -0.00 -0.93 -0.84 115.31 115.34 1sqq h LEU 39 Ca 0.15 -0.00 0.09 0.00 -0.00 0.00 0.00 57.88 58.12 1sqq h LEU 39 Cb 0.30 -0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 40.81 1sqq h LEU 39 CO 0.00 0.25 0.19 0.00 -0.00 0.00 0.00 178.44 178.88 1sqq h ASP 41 N 0.35 -0.90 0.00 0.00 3.32 0.93 0.16 116.42 120.28 1sqq h ASP 41 Ca 0.29 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1sqq h ASP 41 Cb 0.36 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1sqq h ASP 41 CO -0.31 -0.60 0.00 -0.62 -1.72 0.00 0.00 179.24 175.99 1sqq n GLU 42 N -5.52 0.00 0.21 3.56 1.02 -0.42 -2.15 120.64 117.34 1sqq n GLU 42 Ca -0.14 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1sqq n GLU 42 Cb 0.43 0.00 0.43 0.00 -0.02 0.00 0.00 31.44 32.28 1sqq n GLU 42 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1sqq h ARG 43 N 0.00 0.00 0.14 3.49 0.11 -0.68 -0.98 114.38 116.47 1sqq h ARG 43 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1sqq h ARG 43 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1sqq h ARG 43 CO 0.00 0.28 -0.07 0.28 0.10 0.00 0.00 179.97 180.56 1sqq h VAL 44 N 0.00 0.98 -0.95 0.08 2.07 -0.95 -3.17 116.25 114.31 1sqq h VAL 44 Ca -0.00 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.12 1sqq h VAL 44 Cb 0.76 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 1sqq h VAL 44 CO 0.04 0.12 0.57 0.28 0.02 0.00 0.00 177.57 178.60 1sqq h SER 45 N -0.44 0.81 -0.16 0.57 0.02 -0.79 -3.34 113.55 110.22 1sqq h SER 45 Ca -0.02 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sqq h SER 45 Cb 0.35 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1sqq h SER 45 CO 0.03 0.41 0.00 -1.20 -1.14 0.00 0.00 176.83 174.93 1sqq n SER 46 N -4.69 2.26 -4.08 3.07 7.64 -0.46 -4.89 113.62 112.47 1sqq n SER 46 Ca 0.18 -2.25 -0.08 0.00 1.01 0.00 0.00 58.87 57.73 1sqq n SER 46 Cb 0.37 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.94 1sqq n SER 46 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sqq s ARG 47 N -1.50 0.75 0.00 1.43 0.52 -1.26 -5.04 118.95 113.86 1sqq s ARG 47 Ca 0.15 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 1sqq s ARG 47 Cb 0.11 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.82 1sqq s ARG 47 CO 0.05 -0.18 0.00 0.45 0.02 0.00 0.00 175.30 175.63 1sqq n SER 48 N 0.02 0.00 -1.13 0.23 2.88 -1.26 -4.78 113.62 109.58 1sqq n SER 48 Ca -0.11 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.51 1sqq n SER 48 Cb 0.62 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.34 1sqq n SER 48 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1sqq n GLN 49 N -0.41 2.59 -2.86 -1.46 7.27 -1.26 -5.02 117.38 116.23 1sqq n GLN 49 Ca 0.00 -2.10 -0.33 0.00 0.07 0.00 0.00 57.00 54.64 1sqq n GLN 49 Cb 0.00 -1.55 -0.07 0.00 2.41 0.00 0.00 30.24 31.03 1sqq n GLN 49 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1sqq s THR 50 N -1.43 4.42 -0.46 1.69 -1.32 -1.26 -5.05 115.64 112.23 1sqq s THR 50 Ca 0.38 1.43 0.03 0.00 -1.21 0.00 0.00 61.69 62.32 1sqq s THR 50 Cb 0.22 -3.62 0.13 0.00 -1.51 0.00 0.00 72.50 67.72 1sqq s THR 50 CO 0.23 -0.28 0.23 -1.61 -2.21 0.00 0.00 174.62 170.98 1sqq s GLU 51 N -3.10 1.60 -0.39 7.08 2.02 -1.26 -5.08 118.70 119.55 1sqq s GLU 51 Ca 0.60 -2.24 0.04 0.00 0.02 0.00 0.00 54.97 53.39 1sqq s GLU 51 Cb -0.10 -2.85 0.16 0.00 0.10 0.00 0.00 34.13 31.45 1sqq s GLU 51 CO 0.14 -1.11 0.40 -2.00 0.02 0.00 0.00 175.26 172.70 1sqq s GLU 52 N 0.15 0.74 -0.06 1.61 -6.30 -1.26 -5.06 118.70 108.51 1sqq s GLU 52 Ca 0.16 -1.18 0.08 0.00 -2.50 0.00 0.00 54.97 51.54 1sqq s GLU 52 Cb -0.24 -0.83 0.13 0.00 0.00 0.00 0.00 34.13 33.18 1sqq s GLU 52 CO -0.02 -1.25 1.02 -0.25 0.02 0.00 0.00 175.26 174.79 1sqq n ASP 53 N 3.80 1.22 0.00 -1.70 9.92 -1.26 -4.77 116.55 123.76 1sqq n ASP 53 Ca 0.16 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 52.03 1sqq n ASP 53 Cb 0.46 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1sqq n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sqq h THR 55 N 0.00 0.73 0.11 0.00 2.02 -2.02 -3.19 112.91 110.56 1sqq h THR 55 Ca 0.00 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1sqq h THR 55 Cb 0.00 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.26 1sqq h THR 55 CO 0.00 0.14 -0.33 -0.33 0.37 0.00 0.00 175.52 175.37 1sqq h GLU 56 N 0.78 -0.53 0.00 6.66 5.08 -2.02 -3.27 114.58 121.29 1sqq h GLU 56 Ca 0.56 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.88 1sqq h GLU 56 Cb 0.86 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1sqq h GLU 56 CO -0.36 -0.35 -0.48 0.93 -1.00 0.00 0.00 179.01 177.75 1sqq h GLU 57 N -0.55 0.00 -0.53 2.33 3.07 -1.93 0.10 114.58 117.07 1sqq h GLU 57 Ca 0.03 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.99 1sqq h GLU 57 Cb 0.58 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.42 1sqq h GLU 57 CO -0.20 0.34 0.11 1.25 -1.40 0.00 0.00 179.01 179.10 1sqq h LEU 58 N 0.00 -0.00 -0.11 1.33 5.85 -1.64 -3.20 115.31 117.53 1sqq h LEU 58 Ca -0.02 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1sqq h LEU 58 Cb 1.29 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 1sqq h LEU 58 CO 0.04 0.02 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.93 1sqq h LEU 59 N 0.24 0.34 -1.69 2.25 3.38 -0.84 -1.60 115.31 117.40 1sqq h LEU 59 Ca 0.27 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1sqq h LEU 59 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1sqq h LEU 59 CO -0.35 0.80 -0.05 0.44 0.09 0.00 0.00 178.44 179.36 1sqq h ASP 60 N -0.10 0.12 0.33 -0.43 3.45 -1.70 0.34 116.42 118.42 1sqq h ASP 60 Ca 0.01 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1sqq h ASP 60 Cb 0.72 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.46 1sqq h ASP 60 CO 0.04 0.20 -0.23 0.15 -1.57 0.00 0.00 179.24 177.82 1sqq h PHE 61 N 0.13 -0.61 -0.50 4.55 3.57 -1.52 -2.68 116.94 119.89 1sqq h PHE 61 Ca 0.03 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1sqq h PHE 61 Cb 0.18 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1sqq h PHE 61 CO 0.00 -0.35 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.63 1sqq h LEU 62 N -0.55 0.89 -0.75 0.59 3.38 -0.05 -0.04 115.31 118.78 1sqq h LEU 62 Ca -0.03 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.71 1sqq h LEU 62 Cb 0.47 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 40.87 1sqq h LEU 62 CO 0.01 1.00 -0.50 -0.74 0.09 0.00 0.00 178.44 178.30 1sqq h HIS 63 N 0.76 -1.51 -0.14 1.13 2.76 -0.51 0.29 115.15 117.92 1sqq h HIS 63 Ca 0.14 0.10 -0.11 0.00 -2.20 0.00 0.00 60.37 58.29 1sqq h HIS 63 Cb 0.56 0.76 -0.01 0.00 1.55 0.00 0.00 27.41 30.27 1sqq h HIS 63 CO 0.04 -0.42 -0.41 0.00 -1.30 0.00 0.00 177.93 175.84 1sqq h ALA 64 N 0.60 1.04 -0.65 5.26 0.00 -1.19 -2.11 119.26 122.20 1sqq h ALA 64 Ca 0.18 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1sqq h ALA 64 Cb 0.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1sqq h ALA 64 CO -0.80 0.61 0.31 -0.09 0.00 0.00 0.00 179.25 179.28 1sqq h ARG 65 N 0.26 0.93 0.00 0.00 1.12 -0.58 -3.21 114.38 112.90 1sqq h ARG 65 Ca 0.02 -0.14 -0.20 0.00 -1.11 0.00 0.00 59.98 58.56 1sqq h ARG 65 Cb 0.85 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.60 1sqq h ARG 65 CO 0.07 0.74 -1.93 -0.25 -3.11 0.00 0.00 179.97 175.48 1sqq n ASP 66 N -4.48 0.31 -0.26 -3.80 8.00 0.98 -0.08 116.55 117.21 1sqq n ASP 66 Ca 0.05 0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.75 1sqq n ASP 66 Cb 0.12 0.96 0.20 0.00 -0.02 0.00 0.00 41.12 42.38 1sqq n ASP 66 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1sqq h HIS 67 N 0.00 0.40 -0.25 1.24 2.76 -1.56 -0.62 115.15 117.12 1sqq h HIS 67 Ca -0.26 0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 57.77 1sqq h HIS 67 Cb 1.68 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.58 1sqq h HIS 67 CO 0.00 -0.04 -0.56 0.00 -1.30 0.00 0.00 177.93 176.04 1sqq h VAL 69 N 0.59 0.82 -0.22 0.00 2.07 -0.10 -3.23 116.25 116.18 1sqq h VAL 69 Ca 0.01 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 1sqq h VAL 69 Cb 1.14 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1sqq h VAL 69 CO 0.12 0.02 -0.35 0.00 0.02 0.00 0.00 177.57 177.38 1sqq h ALA 70 N 1.22 0.34 -0.85 1.67 0.00 -1.15 -1.79 119.26 118.69 1sqq h ALA 70 Ca 0.12 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.68 1sqq h ALA 70 Cb 0.15 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1sqq h ALA 70 CO -0.20 0.40 0.51 1.25 0.00 0.00 0.00 179.25 181.21 1sqq h HIS 71 N 0.32 0.94 0.00 0.00 6.17 -1.67 -3.30 115.15 117.62 1sqq h HIS 71 Ca 0.02 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 1sqq h HIS 71 Cb 0.93 -0.30 -0.00 0.00 2.52 0.00 0.00 27.41 30.56 1sqq h HIS 71 CO 0.08 0.44 -1.69 1.63 0.71 0.00 0.00 177.93 179.10 1sqq n LYS 72 N -4.67 0.64 0.00 5.26 5.02 -0.96 -4.94 118.16 118.51 1sqq n LYS 72 Ca 0.13 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1sqq n LYS 72 Cb 0.23 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1sqq n LYS 72 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1sqq n LEU 73 N -2.41 0.00 0.00 -0.35 7.94 -0.71 -4.40 117.00 117.07 1sqq n LEU 73 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1sqq n LEU 73 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1sqq n LEU 73 CO 0.44 0.00 0.00 0.49 -1.11 0.00 0.00 177.39 177.21 1sqq n PHE 74 N 0.00 0.00 1.45 1.96 3.01 -1.26 -4.16 117.46 118.46 1sqq n PHE 74 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 1sqq n PHE 74 Cb 0.00 -0.30 0.65 0.00 -0.01 0.00 0.00 39.48 39.82 1sqq n PHE 74 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1sqq n ASN 75 N 0.00 0.40 0.00 4.37 4.13 -1.26 -4.49 115.26 118.41 1sqq n ASN 75 Ca 0.00 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.69 1sqq n ASN 75 Cb 0.00 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 1sqq n ASN 75 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1sqq n SER 76 N -0.97 0.00 -1.54 6.41 7.64 -1.26 -4.99 113.62 118.91 1sqq n SER 76 Ca 0.15 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.81 1sqq n SER 76 Cb 0.26 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1sqq n SER 76 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sqq n LEU 77 N -1.96 0.39 0.00 -3.43 7.99 -1.26 -5.15 117.00 113.58 1sqq n LEU 77 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 1sqq n LEU 77 Cb 0.00 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.02 1sqq n LEU 77 CO 0.00 -0.27 0.15 1.17 -1.51 0.00 0.00 177.39 176.93