#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp n LEU 13 N 0.00 -5.85 -4.26 -1.84 4.77 -1.26 -5.00 117.00 103.57 1sqp n LEU 13 Ca 0.00 2.18 -0.44 0.00 -0.03 0.00 0.00 56.01 57.73 1sqp n LEU 13 Cb 0.00 -3.13 -0.05 0.00 -2.33 0.00 0.00 43.42 37.91 1sqp n LEU 13 CO 0.00 -3.77 0.26 0.68 -1.33 0.00 0.00 177.39 173.23 1sqp s VAL 14 N -0.62 4.96 -0.19 4.08 -7.23 -1.26 -5.06 120.40 115.08 1sqp s VAL 14 Ca -0.27 -2.42 -0.29 0.00 -1.81 0.00 0.00 61.98 57.18 1sqp s VAL 14 Cb 0.02 -4.12 -0.02 0.00 0.56 0.00 0.00 36.38 32.82 1sqp s VAL 14 CO 0.73 -0.95 1.39 -0.62 -0.31 0.00 0.00 175.10 175.33 1sqp s ASP 15 N 2.00 6.74 0.54 4.85 2.15 -1.26 -4.93 116.67 126.75 1sqp s ASP 15 Ca 0.15 1.63 0.20 0.00 0.43 0.00 0.00 52.55 54.97 1sqp s ASP 15 Cb -0.16 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.33 1sqp s ASP 15 CO -0.05 -0.95 2.15 -0.65 -0.17 0.00 0.00 175.17 175.50 1sqp h PRO 16 N 9.09 0.00 0.55 4.34 0.11 -1.97 -2.87 132.00 141.25 1sqp h PRO 16 Ca -0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1sqp h PRO 16 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1sqp h PRO 16 CO 0.99 0.00 -0.42 1.25 -0.21 0.00 0.00 178.00 179.60 1sqp h LEU 17 N 0.00 -1.12 -1.51 2.35 5.85 -1.94 -2.00 115.31 116.94 1sqp h LEU 17 Ca 0.04 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1sqp h LEU 17 Cb 0.15 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1sqp h LEU 17 CO -0.00 -0.60 -0.12 0.71 -0.34 0.00 0.00 178.44 178.08 1sqp h THR 18 N -0.94 0.37 -0.48 1.05 1.35 -1.96 0.39 112.91 112.68 1sqp h THR 18 Ca -0.07 -0.75 -0.11 0.00 -0.55 0.00 0.00 66.41 64.94 1sqp h THR 18 Cb 0.78 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 1sqp h THR 18 CO 0.02 0.12 -0.12 0.74 -0.25 0.00 0.00 175.52 176.03 1sqp h THR 19 N 0.00 1.27 0.00 6.82 2.02 -1.37 -3.21 112.91 118.44 1sqp h THR 19 Ca -0.00 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1sqp h THR 19 Cb 0.54 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1sqp h THR 19 CO 0.02 0.43 -1.45 0.52 0.37 0.00 0.00 175.52 175.41 1sqp n VAL 20 N -4.22 0.06 0.13 3.16 0.31 -0.76 -4.22 118.33 112.78 1sqp n VAL 20 Ca 0.00 -0.29 0.03 0.00 -0.01 0.00 0.00 64.34 64.07 1sqp n VAL 20 Cb 0.39 0.34 0.41 0.00 -0.91 0.00 0.00 33.84 34.07 1sqp n VAL 20 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1sqp h ARG 21 N 0.00 0.22 -0.03 5.55 2.43 -0.30 -2.45 114.38 119.80 1sqp h ARG 21 Ca 0.00 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1sqp h ARG 21 Cb 0.79 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1sqp h ARG 21 CO 0.00 0.35 -0.39 0.93 -1.51 0.00 0.00 179.97 179.35 1sqp h GLU 22 N 0.21 0.05 -0.02 0.20 3.07 -1.72 0.31 114.58 116.68 1sqp h GLU 22 Ca 0.04 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.73 1sqp h GLU 22 Cb 0.35 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1sqp h GLU 22 CO 0.02 0.43 -0.71 0.37 -1.40 0.00 0.00 179.01 177.72 1sqp h GLN 23 N 0.04 0.14 -0.02 2.33 5.75 -1.69 -3.15 115.11 118.51 1sqp h GLN 23 Ca 0.00 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.36 1sqp h GLN 23 Cb 0.71 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1sqp h GLN 23 CO 0.05 0.79 -0.10 0.00 -2.65 0.00 0.00 178.83 176.92 1sqp h GLU 25 N -0.52 0.33 -2.85 0.00 5.08 -1.09 -3.12 114.58 112.41 1sqp h GLU 25 Ca -0.01 -0.02 -0.75 0.00 -1.00 0.00 0.00 59.36 57.58 1sqp h GLU 25 Cb 0.78 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.80 1sqp h GLU 25 CO 0.02 0.22 2.13 1.04 -1.00 0.00 0.00 179.01 181.43 1sqp n GLN 26 N -4.47 4.39 -4.13 2.33 6.02 -1.19 -4.02 117.38 116.31 1sqp n GLN 26 Ca 0.06 -3.62 -0.16 0.00 -0.01 0.00 0.00 57.00 53.28 1sqp n GLN 26 Cb 0.28 -2.69 -0.12 0.00 1.02 0.00 0.00 30.24 28.73 1sqp n GLN 26 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1sqp s LEU 27 N -1.78 2.29 0.11 1.08 0.20 -1.18 -4.90 118.68 114.51 1sqp s LEU 27 Ca 0.48 -0.62 -0.25 0.00 0.69 0.00 0.00 54.13 54.43 1sqp s LEU 27 Cb 0.15 -0.34 -0.07 0.00 -0.43 0.00 0.00 46.19 45.50 1sqp s LEU 27 CO -0.06 -0.16 1.42 -0.33 -0.29 0.00 0.00 176.35 176.93 1sqp h GLU 28 N 4.25 -0.15 0.00 1.98 4.39 -1.91 -1.13 114.58 122.00 1sqp h GLU 28 Ca -0.38 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1sqp h GLU 28 Cb 1.19 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1sqp h GLU 28 CO 0.42 -0.10 0.00 0.87 -1.16 0.00 0.00 179.01 179.04 1sqp h LYS 29 N -0.16 0.00 0.23 2.33 1.57 -1.98 -3.27 116.57 115.28 1sqp h LYS 29 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1sqp h LYS 29 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1sqp h LYS 29 CO -0.59 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.18 1sqp h VAL 31 N -0.89 1.19 -0.98 0.00 2.07 -1.53 -2.08 116.25 114.03 1sqp h VAL 31 Ca -0.03 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.19 1sqp h VAL 31 Cb 0.51 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 1sqp h VAL 31 CO 0.05 0.19 0.61 0.11 0.02 0.00 0.00 177.57 178.55 1sqp h LYS 32 N 0.91 0.97 0.00 1.57 1.79 -1.62 -0.22 116.57 119.96 1sqp h LYS 32 Ca 0.24 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1sqp h LYS 32 Cb -0.04 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.39 1sqp h LYS 32 CO -0.05 0.64 0.00 0.00 -1.08 0.00 0.00 179.45 178.96 1sqp h ALA 33 N 1.51 1.00 0.00 3.86 0.00 -1.23 -2.97 119.26 121.43 1sqp h ALA 33 Ca 0.47 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.16 1sqp h ALA 33 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1sqp h ALA 33 CO -0.25 0.00 -1.12 -0.09 0.00 0.00 0.00 179.25 177.79 1sqp h ARG 34 N 0.00 0.00 -0.25 0.00 2.43 -0.76 -3.16 114.38 112.63 1sqp h ARG 34 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sqp h ARG 34 Cb 0.80 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1sqp h ARG 34 CO 0.00 0.88 0.15 0.93 -1.51 0.00 0.00 179.97 180.42 1sqp h GLU 35 N 0.00 0.35 0.00 0.20 5.08 -0.95 0.11 114.58 119.37 1sqp h GLU 35 Ca -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1sqp h GLU 35 Cb 1.80 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1sqp h GLU 35 CO 0.12 0.28 0.00 0.07 -1.00 0.00 0.00 179.01 178.48 1sqp h ARG 36 N 0.31 0.00 -0.03 2.33 0.11 -1.70 -2.10 114.38 113.30 1sqp h ARG 36 Ca 0.09 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.06 1sqp h ARG 36 Cb 0.03 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.12 1sqp h ARG 36 CO -0.02 0.00 -0.40 1.25 0.10 0.00 0.00 179.97 180.91 1sqp h LEU 37 N 0.00 0.41 -0.88 0.08 5.85 -1.41 -2.73 115.31 116.64 1sqp h LEU 37 Ca 0.00 -0.71 -0.04 0.00 0.84 0.00 0.00 57.88 57.96 1sqp h LEU 37 Cb 0.69 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1sqp h LEU 37 CO 0.00 1.06 0.29 -0.08 -0.34 0.00 0.00 178.44 179.37 1sqp h GLU 38 N -0.21 1.11 0.00 1.25 4.57 -0.74 0.86 114.58 121.43 1sqp h GLU 38 Ca -0.04 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 57.88 1sqp h GLU 38 Cb 1.09 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1sqp h GLU 38 CO 0.08 0.90 -0.31 -0.07 -1.18 0.00 0.00 179.01 178.44 1sqp h LEU 39 N 1.08 0.00 -0.11 1.64 3.38 -1.47 0.19 115.31 120.02 1sqp h LEU 39 Ca 0.25 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.98 1sqp h LEU 39 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1sqp h LEU 39 CO -0.02 0.31 -0.95 0.00 0.09 0.00 0.00 178.44 177.86 1sqp h ASP 41 N 0.34 -0.80 0.00 0.00 3.32 -0.29 -1.96 116.42 117.03 1sqp h ASP 41 Ca -0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1sqp h ASP 41 Cb 1.59 0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1sqp h ASP 41 CO 0.18 -0.56 0.00 -0.62 -1.72 0.00 0.00 179.24 176.52 1sqp n GLU 42 N -5.49 0.78 0.00 3.56 4.71 0.01 -1.66 120.64 122.54 1sqp n GLU 42 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.01 1sqp n GLU 42 Cb 0.38 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 1sqp n GLU 42 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1sqp n ARG 43 N 0.04 2.69 0.05 3.49 1.85 -1.12 -4.31 116.66 119.36 1sqp n ARG 43 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 1sqp n ARG 43 Cb 0.17 -0.90 -0.12 0.00 -1.05 0.00 0.00 32.46 30.56 1sqp n ARG 43 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1sqp h VAL 44 N 0.00 1.36 -0.29 8.89 2.07 -1.06 -2.61 116.25 124.60 1sqp h VAL 44 Ca 0.00 -2.34 -0.13 0.00 0.82 0.00 0.00 66.70 65.05 1sqp h VAL 44 Cb 0.80 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1sqp h VAL 44 CO 0.00 0.70 -0.37 0.28 0.02 0.00 0.00 177.57 178.20 1sqp h SER 45 N 0.09 0.70 -0.06 0.57 0.02 -1.57 -3.31 113.55 109.99 1sqp h SER 45 Ca -0.14 -0.30 -0.21 0.00 -0.84 0.00 0.00 61.79 60.29 1sqp h SER 45 Cb 1.68 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 64.03 1sqp h SER 45 CO 0.19 1.00 -0.75 0.28 -1.14 0.00 0.00 176.83 176.41 1sqp h SER 46 N 0.56 0.84 -4.44 3.07 0.02 -1.75 -3.46 113.55 108.39 1sqp h SER 46 Ca 0.05 -0.54 -0.47 0.00 -0.84 0.00 0.00 61.79 59.99 1sqp h SER 46 Cb 0.88 -0.25 0.11 0.00 0.14 0.00 0.00 62.40 63.28 1sqp h SER 46 CO 0.08 1.33 0.37 -0.60 -1.14 0.00 0.00 176.83 176.87 1sqp s ARG 47 N -3.75 1.91 0.00 3.45 3.52 -0.98 -5.05 118.95 118.05 1sqp s ARG 47 Ca -0.09 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1sqp s ARG 47 Cb 0.09 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.56 1sqp s ARG 47 CO 0.89 -1.67 0.07 0.45 -0.81 0.00 0.00 175.30 174.23 1sqp n SER 48 N -3.41 0.00 -3.19 -2.12 2.88 -1.26 -4.81 113.62 101.71 1sqp n SER 48 Ca 0.07 0.07 -0.23 0.00 -1.33 0.00 0.00 58.87 57.45 1sqp n SER 48 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 1sqp n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqp n GLN 49 N -0.08 0.80 -2.12 -1.46 6.02 -1.26 -5.08 117.38 114.21 1sqp n GLN 49 Ca 0.00 -3.28 -0.28 0.00 -0.01 0.00 0.00 57.00 53.43 1sqp n GLN 49 Cb 0.00 -1.33 0.15 0.00 1.02 0.00 0.00 30.24 30.08 1sqp n GLN 49 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1sqp s THR 50 N -1.46 2.05 0.00 5.09 2.01 -1.26 -5.04 115.64 117.03 1sqp s THR 50 Ca 0.36 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1sqp s THR 50 Cb 0.21 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.84 1sqp s THR 50 CO -0.10 0.00 0.68 -0.62 -0.69 0.00 0.00 174.62 173.89 1sqp n GLU 51 N -3.45 1.19 -1.24 4.92 -0.58 -1.26 -4.94 120.64 115.27 1sqp n GLU 51 Ca 0.14 -0.89 -0.37 0.00 -0.42 0.00 0.00 57.16 55.63 1sqp n GLU 51 Cb 0.60 -0.72 -0.03 0.00 -0.57 0.00 0.00 31.44 30.72 1sqp n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1sqp n GLU 52 N -0.20 3.42 -1.52 3.49 2.13 -1.26 -4.94 120.64 121.75 1sqp n GLU 52 Ca 0.00 -2.11 -0.29 0.00 0.66 0.00 0.00 57.16 55.42 1sqp n GLU 52 Cb 0.37 -2.77 0.13 0.00 0.27 0.00 0.00 31.44 29.43 1sqp n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1sqp s ASP 53 N 2.42 3.73 -0.34 4.31 1.01 -1.26 -4.88 116.67 121.66 1sqp s ASP 53 Ca 0.64 1.07 0.07 0.00 0.71 0.00 0.00 52.55 55.04 1sqp s ASP 53 Cb 0.17 -1.69 0.50 0.00 1.01 0.00 0.00 42.92 42.90 1sqp s ASP 53 CO -0.06 -2.42 1.51 0.00 0.21 0.00 0.00 175.17 174.41 1sqp h THR 55 N 1.20 1.19 0.73 0.00 1.03 -2.00 -3.02 112.91 112.04 1sqp h THR 55 Ca 0.31 -0.88 -0.04 0.00 -0.01 0.00 0.00 66.41 65.80 1sqp h THR 55 Cb 1.61 1.31 0.01 0.00 -1.07 0.00 0.00 68.15 70.00 1sqp h THR 55 CO 0.62 0.27 -0.35 -0.08 -0.01 0.00 0.00 175.52 175.97 1sqp h GLU 56 N 0.18 -0.94 0.00 0.00 4.81 -2.01 -2.96 114.58 113.66 1sqp h GLU 56 Ca 0.03 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1sqp h GLU 56 Cb 0.44 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1sqp h GLU 56 CO 0.03 -0.63 -0.10 0.93 -0.73 0.00 0.00 179.01 178.52 1sqp h GLU 57 N -1.04 0.00 0.04 1.92 3.07 -1.90 -1.29 114.58 115.38 1sqp h GLU 57 Ca -0.10 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1sqp h GLU 57 Cb 0.75 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1sqp h GLU 57 CO 0.16 0.10 -0.06 1.25 -1.40 0.00 0.00 179.01 179.06 1sqp h LEU 58 N 0.00 -0.16 -1.18 1.33 5.85 -1.51 -2.73 115.31 116.91 1sqp h LEU 58 Ca -0.00 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1sqp h LEU 58 Cb 0.18 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1sqp h LEU 58 CO 0.01 -0.09 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.71 1sqp h LEU 59 N -0.13 0.27 -0.75 2.25 3.38 -1.07 -2.32 115.31 116.94 1sqp h LEU 59 Ca 0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1sqp h LEU 59 Cb 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1sqp h LEU 59 CO -0.03 0.52 0.37 0.44 0.09 0.00 0.00 178.44 179.82 1sqp h ASP 60 N 0.25 0.98 -0.11 -0.43 3.32 -1.40 -0.22 116.42 118.82 1sqp h ASP 60 Ca 0.04 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1sqp h ASP 60 Cb 0.56 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1sqp h ASP 60 CO 0.04 0.83 -0.01 0.15 -1.72 0.00 0.00 179.24 178.53 1sqp h PHE 61 N 1.05 0.22 0.00 4.55 3.57 -1.11 -2.95 116.94 122.27 1sqp h PHE 61 Ca 0.26 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1sqp h PHE 61 Cb 0.11 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1sqp h PHE 61 CO 0.01 0.47 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.35 1sqp h LEU 62 N -0.10 0.00 0.28 0.59 4.07 -1.31 0.15 115.31 118.99 1sqp h LEU 62 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1sqp h LEU 62 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1sqp h LEU 62 CO 0.01 0.13 -0.14 -0.74 -1.08 0.00 0.00 178.44 176.63 1sqp h HIS 63 N 0.00 -0.35 -0.32 1.13 2.76 -1.01 -1.29 115.15 116.08 1sqp h HIS 63 Ca -0.00 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 1sqp h HIS 63 Cb 0.33 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1sqp h HIS 63 CO 0.00 -0.11 -0.27 0.00 -1.30 0.00 0.00 177.93 176.26 1sqp h ALA 64 N 0.11 0.93 0.29 5.26 0.00 -1.31 -2.95 119.26 121.60 1sqp h ALA 64 Ca -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1sqp h ALA 64 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sqp h ALA 64 CO 0.06 0.61 -0.14 -0.09 0.00 0.00 0.00 179.25 179.70 1sqp h ARG 65 N 0.56 -0.37 0.00 0.00 1.12 -1.02 -3.29 114.38 111.38 1sqp h ARG 65 Ca 0.07 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1sqp h ARG 65 Cb 0.75 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.80 1sqp h ARG 65 CO 0.06 -0.12 0.00 -0.44 -3.11 0.00 0.00 179.97 176.36 1sqp h ASP 66 N -1.03 0.00 -0.75 -3.80 3.32 -1.34 -0.77 116.42 112.05 1sqp h ASP 66 Ca -0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1sqp h ASP 66 Cb 0.42 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1sqp h ASP 66 CO 0.06 0.00 0.41 -0.74 -1.72 0.00 0.00 179.24 177.26 1sqp h HIS 67 N 0.00 1.03 -0.07 4.55 2.76 -1.61 -2.90 115.15 118.90 1sqp h HIS 67 Ca 0.00 -0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 57.93 1sqp h HIS 67 Cb 0.28 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 28.92 1sqp h HIS 67 CO 0.00 0.72 -0.84 0.00 -1.30 0.00 0.00 177.93 176.51 1sqp h VAL 69 N 0.38 0.62 -0.55 0.00 2.07 -1.20 -2.75 116.25 114.81 1sqp h VAL 69 Ca -0.07 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1sqp h VAL 69 Cb 1.46 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1sqp h VAL 69 CO 0.16 0.04 0.23 0.00 0.02 0.00 0.00 177.57 178.02 1sqp h ALA 70 N 1.48 1.37 -0.63 1.67 0.00 -1.61 -2.18 119.26 119.35 1sqp h ALA 70 Ca 0.30 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1sqp h ALA 70 Cb 0.46 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1sqp h ALA 70 CO -0.42 0.48 0.42 0.45 0.00 0.00 0.00 179.25 180.18 1sqp h HIS 71 N 0.79 0.56 0.00 0.00 3.86 -1.61 -3.35 115.15 115.40 1sqp h HIS 71 Ca 0.19 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1sqp h HIS 71 Cb 0.14 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1sqp h HIS 71 CO 0.01 0.28 -0.86 1.63 0.86 0.00 0.00 177.93 179.85 1sqp n LYS 72 N -4.48 2.47 -0.33 2.45 4.01 -1.16 -4.85 118.16 116.28 1sqp n LYS 72 Ca 0.10 0.00 0.20 0.00 -0.51 0.00 0.00 58.31 58.10 1sqp n LYS 72 Cb 0.30 -0.93 0.40 0.00 -0.51 0.00 0.00 35.03 34.29 1sqp n LYS 72 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1sqp h LEU 73 N 0.00 -0.04 -0.84 -0.35 7.12 -1.53 -2.24 115.31 117.43 1sqp h LEU 73 Ca 0.00 0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1sqp h LEU 73 Cb 0.54 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1sqp h LEU 73 CO 0.00 -0.32 0.00 0.49 -0.13 0.00 0.00 178.44 178.48 1sqp n PHE 74 N -5.32 0.12 -0.12 1.25 3.01 -1.26 -4.44 117.46 110.70 1sqp n PHE 74 Ca 0.28 -0.06 -0.09 0.00 1.01 0.00 0.00 57.45 58.59 1sqp n PHE 74 Cb 0.93 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.39 1sqp n PHE 74 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1sqp h ASN 75 N 1.77 0.48 -1.92 4.37 4.21 -1.76 -3.29 115.58 119.43 1sqp h ASN 75 Ca 0.00 -0.12 -0.51 0.00 1.21 0.00 0.00 56.30 56.89 1sqp h ASN 75 Cb 0.38 -0.12 -0.41 0.00 -1.12 0.00 0.00 38.32 37.05 1sqp h ASN 75 CO 0.00 0.46 -0.99 -1.54 -1.29 0.00 0.00 177.43 174.07 1sqp n SER 76 N -4.73 2.39 -4.47 5.81 3.41 -1.26 -5.04 113.62 109.72 1sqp n SER 76 Ca -0.00 -3.24 -0.36 0.00 -0.26 0.00 0.00 58.87 55.01 1sqp n SER 76 Cb 0.10 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.35 1sqp n SER 76 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sqp s LEU 77 N -2.94 3.42 0.00 1.04 2.01 -1.24 -5.07 118.68 115.90 1sqp s LEU 77 Ca 0.42 -0.16 0.14 0.00 0.01 0.00 0.00 54.13 54.53 1sqp s LEU 77 Cb 0.35 -1.89 0.81 0.00 0.01 0.00 0.00 46.19 45.47 1sqp s LEU 77 CO -0.09 0.03 1.23 0.29 1.01 0.00 0.00 176.35 178.83