#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb s LEU 13 N 0.00 1.93 -0.80 -4.62 1.43 -1.26 -5.11 118.68 110.26 1sqb s LEU 13 Ca 0.00 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.53 1sqb s LEU 13 Cb 0.00 -1.02 0.11 0.00 0.03 0.00 0.00 46.19 45.32 1sqb s LEU 13 CO 0.00 0.16 1.01 0.68 0.23 0.00 0.00 176.35 178.43 1sqb s VAL 14 N 0.01 4.64 -0.15 -1.59 -7.23 -1.26 -5.03 120.40 109.80 1sqb s VAL 14 Ca -0.04 -1.16 -0.24 0.00 -1.81 0.00 0.00 61.98 58.74 1sqb s VAL 14 Cb -0.12 -4.70 -0.02 0.00 0.56 0.00 0.00 36.38 32.10 1sqb s VAL 14 CO 0.02 -1.43 0.75 -0.62 -0.31 0.00 0.00 175.10 173.51 1sqb s ASP 15 N 3.60 6.89 0.43 4.85 -1.08 -1.26 -4.97 116.67 125.13 1sqb s ASP 15 Ca 0.26 1.09 0.21 0.00 -0.52 0.00 0.00 52.55 53.59 1sqb s ASP 15 Cb -0.11 -2.42 0.94 0.00 -1.46 0.00 0.00 42.92 39.87 1sqb s ASP 15 CO -0.01 -0.30 1.85 -0.65 0.52 0.00 0.00 175.17 176.58 1sqb h PRO 16 N 7.25 0.00 -0.19 4.34 0.11 -1.98 -2.93 132.00 138.61 1sqb h PRO 16 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1sqb h PRO 16 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1sqb h PRO 16 CO 0.80 0.27 0.10 1.25 -0.21 0.00 0.00 178.00 180.21 1sqb h LEU 17 N 0.00 0.24 -0.94 2.35 5.85 -1.94 -2.35 115.31 118.52 1sqb h LEU 17 Ca -0.00 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 1sqb h LEU 17 Cb 0.68 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1sqb h LEU 17 CO 0.04 0.28 -0.47 0.71 -0.34 0.00 0.00 178.44 178.65 1sqb h THR 18 N 0.18 1.18 -0.37 1.05 1.35 -1.98 0.94 112.91 115.27 1sqb h THR 18 Ca 0.07 -1.72 -0.06 0.00 -0.55 0.00 0.00 66.41 64.15 1sqb h THR 18 Cb 0.10 1.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1sqb h THR 18 CO -0.01 0.46 -0.01 0.74 -0.25 0.00 0.00 175.52 176.46 1sqb h THR 19 N 0.00 1.21 0.00 6.82 2.02 -1.40 -2.98 112.91 118.59 1sqb h THR 19 Ca -0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1sqb h THR 19 Cb 0.93 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1sqb h THR 19 CO 0.06 0.29 -1.50 0.55 0.37 0.00 0.00 175.52 175.30 1sqb n VAL 20 N -4.26 0.31 -0.06 3.16 3.14 -0.90 -3.87 118.33 115.87 1sqb n VAL 20 Ca 0.02 -0.53 -0.11 0.00 -2.96 0.00 0.00 64.34 60.76 1sqb n VAL 20 Cb 0.26 -0.17 0.02 0.00 -1.06 0.00 0.00 33.84 32.89 1sqb n VAL 20 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1sqb h ARG 21 N 0.00 0.75 -0.11 1.45 3.08 -0.80 0.94 114.38 119.69 1sqb h ARG 21 Ca -0.00 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1sqb h ARG 21 Cb 1.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1sqb h ARG 21 CO 0.00 1.06 0.00 0.39 -1.07 0.00 0.00 179.97 180.35 1sqb n GLU 22 N -4.01 1.34 -0.05 0.04 -0.58 -1.13 -2.80 120.64 113.46 1sqb n GLU 22 Ca -0.03 -0.53 -0.03 0.00 -0.42 0.00 0.00 57.16 56.15 1sqb n GLU 22 Cb 0.58 -1.23 -0.09 0.00 -0.57 0.00 0.00 31.44 30.13 1sqb n GLU 22 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1sqb n GLN 23 N -0.17 1.84 -0.01 3.49 0.00 -1.03 -4.36 117.38 117.15 1sqb n GLN 23 Ca 0.10 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.00 56.92 1sqb n GLN 23 Cb 0.16 -1.28 -0.04 0.00 0.00 0.00 0.00 30.24 29.07 1sqb n GLN 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sqb h GLU 25 N 0.48 0.06 0.00 0.00 3.07 -1.77 -2.43 114.58 113.98 1sqb h GLU 25 Ca -0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1sqb h GLU 25 Cb 1.37 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1sqb h GLU 25 CO 0.15 0.12 0.00 1.04 -1.40 0.00 0.00 179.01 178.92 1sqb n GLN 26 N -4.44 0.56 -3.42 2.33 6.02 -1.19 -3.95 117.38 113.29 1sqb n GLN 26 Ca -0.02 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 1sqb n GLN 26 Cb 0.16 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 1sqb n GLN 26 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1sqb s LEU 27 N -2.22 4.25 0.22 1.08 2.96 -0.92 -5.03 118.68 119.03 1sqb s LEU 27 Ca 0.29 0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 55.02 1sqb s LEU 27 Cb 0.15 -3.45 0.26 0.00 0.50 0.00 0.00 46.19 43.65 1sqb s LEU 27 CO 0.29 0.02 1.62 -0.33 -1.32 0.00 0.00 176.35 176.62 1sqb h GLU 28 N 3.03 -0.01 -0.01 1.98 5.08 -1.87 -2.43 114.58 120.34 1sqb h GLU 28 Ca -0.48 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.78 1sqb h GLU 28 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1sqb h GLU 28 CO 0.68 -0.01 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.96 1sqb h LYS 29 N -0.01 0.04 0.00 2.33 3.64 -1.94 -3.15 116.57 117.48 1sqb h LYS 29 Ca 0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1sqb h LYS 29 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1sqb h LYS 29 CO -0.70 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.01 1sqb h VAL 31 N 0.00 1.15 0.00 0.00 2.07 -1.48 -2.88 116.25 115.11 1sqb h VAL 31 Ca 0.00 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1sqb h VAL 31 Cb 0.91 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1sqb h VAL 31 CO 0.00 0.15 -0.42 0.11 0.02 0.00 0.00 177.57 177.44 1sqb h LYS 32 N 0.62 0.00 -0.32 1.57 1.57 -1.70 -3.32 116.57 115.00 1sqb h LYS 32 Ca 0.17 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1sqb h LYS 32 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1sqb h LYS 32 CO -0.03 0.42 0.19 0.00 -0.57 0.00 0.00 179.45 179.46 1sqb h ALA 33 N 1.58 0.40 0.00 3.86 0.00 -1.47 -2.77 119.26 120.85 1sqb h ALA 33 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1sqb h ALA 33 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1sqb h ALA 33 CO 0.05 -0.16 -0.37 -0.09 0.00 0.00 0.00 179.25 178.68 1sqb h ARG 34 N 0.40 0.00 -0.56 0.00 2.43 -1.65 -3.30 114.38 111.70 1sqb h ARG 34 Ca 0.12 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1sqb h ARG 34 Cb -0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1sqb h ARG 34 CO -0.04 0.37 -0.04 0.93 -1.51 0.00 0.00 179.97 179.67 1sqb h GLU 35 N 0.00 0.99 0.00 0.20 5.08 -1.59 -0.91 114.58 118.35 1sqb h GLU 35 Ca -0.00 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 57.89 1sqb h GLU 35 Cb 0.95 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1sqb h GLU 35 CO 0.05 1.00 -0.67 -0.09 -1.00 0.00 0.00 179.01 178.30 1sqb h ARG 36 N 0.90 0.00 -0.29 2.33 2.43 -1.64 -2.49 114.38 115.63 1sqb h ARG 36 Ca 0.15 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1sqb h ARG 36 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1sqb h ARG 36 CO 0.04 0.67 -0.21 1.25 -1.51 0.00 0.00 179.97 180.21 1sqb h LEU 37 N 0.00 0.69 -0.94 3.80 5.85 -1.61 -2.70 115.31 120.41 1sqb h LEU 37 Ca -0.01 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1sqb h LEU 37 Cb 1.49 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1sqb h LEU 37 CO 0.09 0.99 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.83 1sqb h GLU 38 N 0.41 0.76 -0.51 1.25 5.08 -1.21 0.19 114.58 120.55 1sqb h GLU 38 Ca 0.06 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1sqb h GLU 38 Cb 0.76 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1sqb h GLU 38 CO 0.06 0.78 0.06 -0.07 -1.00 0.00 0.00 179.01 178.83 1sqb h LEU 39 N 0.71 0.77 -0.56 1.33 4.07 -1.46 -1.50 115.31 118.66 1sqb h LEU 39 Ca 0.14 -0.16 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 1sqb h LEU 39 Cb 0.46 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1sqb h LEU 39 CO 0.02 0.80 -0.68 0.00 -1.08 0.00 0.00 178.44 177.50 1sqb h ASP 41 N 0.00 0.45 -0.36 0.00 3.32 0.02 -1.41 116.42 118.44 1sqb h ASP 41 Ca -0.01 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 1sqb h ASP 41 Cb 1.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1sqb h ASP 41 CO 0.09 0.53 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.65 1sqb h GLU 42 N 0.34 0.82 -0.96 3.56 4.39 -1.39 -2.13 114.58 119.22 1sqb h GLU 42 Ca 0.10 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1sqb h GLU 42 Cb 0.24 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1sqb h GLU 42 CO -0.00 0.93 0.61 -0.09 -1.16 0.00 0.00 179.01 179.30 1sqb h ARG 43 N 0.73 1.29 0.17 2.33 2.43 -1.28 0.11 114.38 120.16 1sqb h ARG 43 Ca 0.11 -0.10 -0.30 0.00 -0.81 0.00 0.00 59.98 58.88 1sqb h ARG 43 Cb 0.68 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1sqb h ARG 43 CO 0.05 0.87 -1.38 0.28 -1.51 0.00 0.00 179.97 178.28 1sqb h VAL 44 N 1.32 1.36 -0.41 0.20 2.07 -1.26 -3.24 116.25 116.29 1sqb h VAL 44 Ca 0.35 -2.89 -0.09 0.00 0.82 0.00 0.00 66.70 64.88 1sqb h VAL 44 Cb -0.11 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1sqb h VAL 44 CO -0.07 0.86 -0.11 0.28 0.02 0.00 0.00 177.57 178.54 1sqb h SER 45 N 0.10 0.81 -0.58 0.57 0.02 -1.25 -3.28 113.55 109.94 1sqb h SER 45 Ca -0.20 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.36 1sqb h SER 45 Cb 2.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 64.34 1sqb h SER 45 CO 0.22 0.99 0.25 0.28 -1.14 0.00 0.00 176.83 177.44 1sqb h SER 46 N 0.62 0.78 -4.32 3.07 0.02 -0.91 -3.43 113.55 109.38 1sqb h SER 46 Ca 0.10 -0.15 -0.50 0.00 -0.84 0.00 0.00 61.79 60.40 1sqb h SER 46 Cb 0.64 -0.20 0.05 0.00 0.14 0.00 0.00 62.40 63.04 1sqb h SER 46 CO 0.04 0.72 0.41 -0.13 -1.14 0.00 0.00 176.83 176.73 1sqb s ARG 47 N -5.62 3.62 0.00 3.45 1.81 -1.22 -5.01 118.95 115.97 1sqb s ARG 47 Ca -0.13 0.81 0.00 0.00 -1.72 0.00 0.00 55.73 54.69 1sqb s ARG 47 Cb 0.13 -2.08 0.00 0.00 -0.45 0.00 0.00 34.95 32.54 1sqb s ARG 47 CO 0.79 -0.55 0.47 -1.13 -0.68 0.00 0.00 175.30 174.19 1sqb n SER 48 N -2.54 0.52 0.00 0.23 3.41 -1.26 -4.86 113.62 109.12 1sqb n SER 48 Ca 0.06 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1sqb n SER 48 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1sqb n SER 48 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1sqb n GLN 49 N -0.10 1.89 -1.81 4.33 0.00 -1.26 -5.10 117.38 115.33 1sqb n GLN 49 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.66 1sqb n GLN 49 Cb 0.32 -0.83 0.05 0.00 0.00 0.00 0.00 30.24 29.78 1sqb n GLN 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1sqb s THR 50 N -1.40 2.80 -0.31 1.69 -1.32 -1.26 -4.99 115.64 110.85 1sqb s THR 50 Ca 0.00 0.43 0.03 0.00 -1.21 0.00 0.00 61.69 60.93 1sqb s THR 50 Cb 0.00 -3.04 0.02 0.00 -1.51 0.00 0.00 72.50 67.97 1sqb s THR 50 CO 0.00 -0.17 0.54 -0.62 -2.21 0.00 0.00 174.62 172.16 1sqb n GLU 51 N -2.11 -0.11 -2.63 7.08 1.02 -1.26 -4.97 120.64 117.66 1sqb n GLU 51 Ca 0.12 -0.60 -0.42 0.00 -0.02 0.00 0.00 57.16 56.24 1sqb n GLU 51 Cb 0.51 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.88 1sqb n GLU 51 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1sqb s GLU 52 N -0.29 3.30 0.58 3.49 2.12 -1.26 -5.01 118.70 121.62 1sqb s GLU 52 Ca 0.03 -0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.27 1sqb s GLU 52 Cb 0.02 -4.12 0.08 0.00 0.26 0.00 0.00 34.13 30.37 1sqb s GLU 52 CO 0.04 -1.88 0.66 -0.51 -0.54 0.00 0.00 175.26 173.03 1sqb s ASP 53 N 3.38 4.89 -0.47 -1.70 1.01 -1.26 -4.91 116.67 117.62 1sqb s ASP 53 Ca 0.35 -1.04 0.04 0.00 0.71 0.00 0.00 52.55 52.61 1sqb s ASP 53 Cb -0.09 0.43 0.43 0.00 1.01 0.00 0.00 42.92 44.70 1sqb s ASP 53 CO 0.18 -1.31 1.41 0.00 0.21 0.00 0.00 175.17 175.66 1sqb h THR 55 N 2.10 1.29 0.09 0.00 2.02 -2.01 -3.22 112.91 113.18 1sqb h THR 55 Ca 0.41 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1sqb h THR 55 Cb 1.03 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1sqb h THR 55 CO 1.01 0.51 -0.05 -0.08 0.37 0.00 0.00 175.52 177.28 1sqb h GLU 56 N 0.58 -0.12 -0.12 6.66 4.81 -2.01 -2.60 114.58 121.77 1sqb h GLU 56 Ca 0.05 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1sqb h GLU 56 Cb 0.93 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1sqb h GLU 56 CO 0.08 -0.01 -0.03 0.93 -0.73 0.00 0.00 179.01 179.25 1sqb h GLU 57 N -0.20 0.18 -0.06 1.92 3.07 -1.92 -2.00 114.58 115.57 1sqb h GLU 57 Ca -0.01 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1sqb h GLU 57 Cb 0.16 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1sqb h GLU 57 CO 0.02 0.23 -0.01 1.25 -1.40 0.00 0.00 179.01 179.10 1sqb h LEU 58 N 0.18 0.10 -0.98 1.33 5.85 -1.54 -3.17 115.31 117.08 1sqb h LEU 58 Ca 0.04 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1sqb h LEU 58 Cb 0.18 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1sqb h LEU 58 CO 0.01 0.42 0.46 -0.07 -0.34 0.00 0.00 178.44 178.92 1sqb h LEU 59 N -0.22 1.05 -1.16 2.25 3.38 -0.99 -0.78 115.31 118.84 1sqb h LEU 59 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1sqb h LEU 59 Cb 0.37 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1sqb h LEU 59 CO 0.00 0.85 0.43 0.44 0.09 0.00 0.00 178.44 180.25 1sqb h ASP 60 N 1.18 0.89 -0.08 -0.43 3.32 -1.53 -0.43 116.42 119.35 1sqb h ASP 60 Ca 0.30 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1sqb h ASP 60 Cb 0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1sqb h ASP 60 CO -0.05 0.70 -0.10 0.15 -1.72 0.00 0.00 179.24 178.21 1sqb h PHE 61 N 1.02 0.25 -0.58 4.55 3.57 -1.33 -2.91 116.94 121.50 1sqb h PHE 61 Ca 0.26 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1sqb h PHE 61 Cb -0.02 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1sqb h PHE 61 CO 0.00 0.68 0.22 -0.07 -2.23 0.00 0.00 178.31 176.91 1sqb h LEU 62 N -0.25 0.78 -0.04 0.59 3.38 -0.87 0.11 115.31 119.00 1sqb h LEU 62 Ca 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1sqb h LEU 62 Cb 0.65 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1sqb h LEU 62 CO 0.02 0.71 0.01 -0.74 0.09 0.00 0.00 178.44 178.53 1sqb h HIS 63 N 0.83 0.08 -0.22 1.13 2.76 -1.16 0.33 115.15 118.90 1sqb h HIS 63 Ca 0.20 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1sqb h HIS 63 Cb 0.19 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1sqb h HIS 63 CO 0.01 0.32 -0.16 0.00 -1.30 0.00 0.00 177.93 176.80 1sqb h ALA 64 N 0.75 1.32 0.50 5.26 0.00 -1.37 -2.45 119.26 123.28 1sqb h ALA 64 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1sqb h ALA 64 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sqb h ALA 64 CO 0.00 0.45 -0.24 -0.09 0.00 0.00 0.00 179.25 179.38 1sqb h ARG 65 N 0.35 -0.64 0.00 0.00 1.12 -0.67 -3.33 114.38 111.20 1sqb h ARG 65 Ca 0.06 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 1sqb h ARG 65 Cb 0.49 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1sqb h ARG 65 CO 0.03 -0.35 0.00 -0.25 -3.11 0.00 0.00 179.97 176.29 1sqb n ASP 66 N -5.25 0.74 -0.15 -3.80 8.00 0.10 -1.86 116.55 114.32 1sqb n ASP 66 Ca -0.10 0.62 -0.03 0.00 0.71 0.00 0.00 54.79 55.99 1sqb n ASP 66 Cb 0.31 -0.80 0.19 0.00 -0.02 0.00 0.00 41.12 40.79 1sqb n ASP 66 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1sqb h HIS 67 N 0.00 0.90 0.18 1.24 2.76 -1.56 -2.72 115.15 115.96 1sqb h HIS 67 Ca 0.00 -0.07 -0.30 0.00 -2.20 0.00 0.00 60.37 57.80 1sqb h HIS 67 Cb 0.55 -0.27 0.02 0.00 1.55 0.00 0.00 27.41 29.26 1sqb h HIS 67 CO 0.00 0.72 -1.36 0.00 -1.30 0.00 0.00 177.93 176.00 1sqb h VAL 69 N 0.11 0.90 -0.38 0.00 2.07 -1.32 -3.02 116.25 114.60 1sqb h VAL 69 Ca -0.19 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1sqb h VAL 69 Cb 2.06 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1sqb h VAL 69 CO 0.23 0.07 0.05 0.00 0.02 0.00 0.00 177.57 177.95 1sqb h ALA 70 N 1.28 1.38 0.00 1.67 0.00 -1.64 -1.92 119.26 120.03 1sqb h ALA 70 Ca 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sqb h ALA 70 Cb 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sqb h ALA 70 CO -0.18 0.44 -0.13 1.25 0.00 0.00 0.00 179.25 180.62 1sqb h HIS 71 N 0.56 0.00 0.00 0.00 6.17 -1.67 -3.36 115.15 116.86 1sqb h HIS 71 Ca 0.13 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.11 1sqb h HIS 71 Cb 0.28 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.19 1sqb h HIS 71 CO 0.01 0.13 -1.35 1.63 0.71 0.00 0.00 177.93 179.06 1sqb n LYS 72 N -3.53 0.15 -0.22 5.26 4.01 -1.12 -4.87 118.16 117.84 1sqb n LYS 72 Ca -0.01 0.04 0.13 0.00 -0.51 0.00 0.00 58.31 57.95 1sqb n LYS 72 Cb 0.28 -1.05 0.24 0.00 -0.51 0.00 0.00 35.03 33.99 1sqb n LYS 72 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1sqb n LEU 73 N -2.79 0.01 -0.10 -0.35 -0.00 -0.74 -1.96 117.00 111.06 1sqb n LEU 73 Ca -0.11 1.10 0.14 0.00 -0.00 0.00 0.00 56.01 57.13 1sqb n LEU 73 Cb 0.61 -0.43 0.56 0.00 -0.00 0.00 0.00 43.42 44.15 1sqb n LEU 73 CO 0.05 -1.14 0.82 0.49 -0.00 0.00 0.00 177.39 177.61 1sqb n PHE 74 N -4.75 0.00 -0.26 1.96 3.01 -1.26 -4.42 117.46 111.74 1sqb n PHE 74 Ca 0.18 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.71 1sqb n PHE 74 Cb 0.59 -0.21 0.31 0.00 -0.01 0.00 0.00 39.48 40.16 1sqb n PHE 74 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1sqb h ASN 75 N 0.51 0.77 -0.00 4.37 4.21 -1.76 -3.15 115.58 120.52 1sqb h ASN 75 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1sqb h ASN 75 Cb 0.40 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1sqb h ASN 75 CO 0.00 0.47 -0.06 -1.54 -1.29 0.00 0.00 177.43 175.01 1sqb n SER 76 N -4.51 0.63 -4.77 5.81 3.41 -1.26 -5.04 113.62 107.89 1sqb n SER 76 Ca 0.14 -0.81 -0.38 0.00 -0.26 0.00 0.00 58.87 57.56 1sqb n SER 76 Cb 0.28 0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1sqb n SER 76 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sqb s LEU 77 N -1.23 4.03 0.00 1.04 1.43 -1.19 -5.21 118.68 117.55 1sqb s LEU 77 Ca 0.02 2.43 0.31 0.00 -1.03 0.00 0.00 54.13 55.85 1sqb s LEU 77 Cb 0.02 -4.18 1.61 0.00 0.03 0.00 0.00 46.19 43.67 1sqb s LEU 77 CO 0.07 -1.00 2.06 0.29 0.23 0.00 0.00 176.35 178.00