#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqp s LEU 3 N 0.00 4.29 0.59 -2.13 1.02 -1.26 -5.11 118.68 116.09 3gqp s LEU 3 Ca 0.00 0.40 -0.08 0.00 0.02 0.00 0.00 54.13 54.47 3gqp s LEU 3 Cb 0.00 -2.17 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 3gqp s LEU 3 CO 0.00 0.37 0.94 0.42 0.02 0.00 0.00 176.35 178.10 3gqp s THR 4 N -1.09 4.15 0.26 5.49 -4.23 -1.26 -4.89 115.64 114.07 3gqp s THR 4 Ca 0.18 0.33 0.30 0.00 -1.18 0.00 0.00 61.69 61.32 3gqp s THR 4 Cb -0.12 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.39 3gqp s THR 4 CO 0.07 -0.74 1.99 0.00 -0.54 0.00 0.00 174.62 175.41 3gqp h ALA 5 N -0.21 1.09 -0.11 3.99 0.00 -1.99 -1.05 119.26 120.99 3gqp h ALA 5 Ca -0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3gqp h ALA 5 Cb 1.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gqp h ALA 5 CO 0.62 0.14 0.01 0.93 0.00 0.00 0.00 179.25 180.95 3gqp h GLU 6 N 0.00 0.19 -0.43 0.00 5.08 -1.99 -2.23 114.58 115.19 3gqp h GLU 6 Ca -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3gqp h GLU 6 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3gqp h GLU 6 CO 0.01 0.42 0.26 0.93 -1.00 0.00 0.00 179.01 179.63 3gqp h GLU 7 N -0.07 0.58 -0.69 2.33 5.08 -1.70 -2.15 114.58 117.96 3gqp h GLU 7 Ca 0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3gqp h GLU 7 Cb 0.33 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3gqp h GLU 7 CO 0.00 0.43 0.28 0.87 -1.00 0.00 0.00 179.01 179.59 3gqp h LYS 8 N 0.57 1.03 -0.49 2.33 1.57 -1.28 -1.01 116.57 119.29 3gqp h LYS 8 Ca 0.15 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3gqp h LYS 8 Cb -0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3gqp h LYS 8 CO -0.03 0.86 0.17 0.78 -0.57 0.00 0.00 179.45 180.66 3gqp h GLY 9 N 0.99 0.81 0.75 3.86 0.00 -1.26 0.50 103.07 108.72 3gqp h GLY 9 Ca 0.23 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3gqp h GLY 9 CO -0.02 0.44 -0.12 1.41 0.00 0.00 0.00 176.54 178.26 3gqp h LEU 10 N 0.66 -0.33 -0.20 3.11 3.38 -1.32 -1.34 115.31 119.28 3gqp h LEU 10 Ca 0.16 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3gqp h LEU 10 Cb 0.25 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3gqp h LEU 10 CO -0.01 -0.17 0.04 0.58 0.09 0.00 0.00 178.44 178.97 3gqp h VAL 11 N -0.21 1.22 0.00 1.22 2.07 -0.94 -2.87 116.25 116.74 3gqp h VAL 11 Ca 0.03 -0.72 -0.20 0.00 0.82 0.00 0.00 66.70 66.64 3gqp h VAL 11 Cb 0.25 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3gqp h VAL 11 CO -0.09 0.22 -0.88 0.78 0.02 0.00 0.00 177.57 177.63 3gqp h ASN 12 N 0.14 0.22 -0.08 0.57 2.35 -0.04 -1.20 115.58 117.53 3gqp h ASN 12 Ca 0.06 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3gqp h ASN 12 Cb 0.30 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3gqp h ASN 12 CO 0.00 0.99 0.01 1.23 -1.65 0.00 0.00 177.43 178.01 3gqp h GLY 13 N 1.93 0.08 1.26 2.83 0.00 -1.28 -0.39 103.07 107.50 3gqp h GLY 13 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.12 3gqp h GLY 13 CO 0.13 -0.01 -0.52 -2.00 0.00 0.00 0.00 176.54 174.14 3gqp h LEU 14 N 0.04 0.87 -1.32 3.11 6.46 -1.50 -3.21 115.31 119.75 3gqp h LEU 14 Ca 0.04 -0.45 -0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3gqp h LEU 14 Cb 0.04 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.69 3gqp h LEU 14 CO -0.06 1.22 0.38 -0.25 -0.62 0.00 0.00 178.44 179.12 3gqp h TRP 15 N 0.61 0.81 -0.16 1.25 2.91 -1.00 -1.55 115.95 118.81 3gqp h TRP 15 Ca 0.02 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.09 3gqp h TRP 15 Cb 1.11 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.48 3gqp h TRP 15 CO 0.06 0.53 0.19 0.78 -1.03 0.00 0.00 178.44 178.98 3gqp h GLY 16 N 0.88 0.00 0.15 2.65 0.00 -1.07 -2.22 103.07 103.46 3gqp h GLY 16 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3gqp h GLY 16 CO -0.04 0.00 -0.62 0.28 0.00 0.00 0.00 176.54 176.15 3gqp n LYS 17 N -3.76 0.38 -1.83 4.80 5.02 -0.59 -4.97 118.16 117.20 3gqp n LYS 17 Ca 0.01 -0.28 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 3gqp n LYS 17 Cb 0.31 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3gqp n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gqp s VAL 18 N -2.81 2.25 -0.62 -0.18 1.01 -0.84 -4.96 120.40 114.25 3gqp s VAL 18 Ca 0.14 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 3gqp s VAL 18 Cb 0.17 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.43 3gqp s VAL 18 CO 0.70 0.03 1.53 0.21 0.00 0.00 0.00 175.10 177.57 3gqp s ASN 19 N 0.72 5.86 0.44 3.32 3.84 -1.26 -4.90 114.94 122.96 3gqp s ASN 19 Ca 0.66 0.14 0.20 0.00 0.21 0.00 0.00 52.86 54.07 3gqp s ASN 19 Cb -0.47 -2.54 1.03 0.00 -0.55 0.00 0.00 41.25 38.72 3gqp s ASN 19 CO 0.41 -1.95 1.91 1.62 -2.79 0.00 0.00 177.10 176.30 3gqp h VAL 20 N 6.45 0.86 0.00 -5.21 3.04 -1.96 -1.11 116.25 118.32 3gqp h VAL 20 Ca -0.27 -0.98 -0.19 0.00 -1.01 0.00 0.00 66.70 64.25 3gqp h VAL 20 Cb 1.10 1.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.94 3gqp h VAL 20 CO 1.21 0.25 -0.90 0.44 -1.01 0.00 0.00 177.57 177.56 3gqp h ASP 21 N 0.00 0.00 0.00 3.17 3.32 -1.98 -3.40 116.42 117.52 3gqp h ASP 21 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3gqp h ASP 21 Cb 0.56 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3gqp h ASP 21 CO 0.03 0.90 -1.62 1.21 -1.72 0.00 0.00 179.24 178.04 3gqp n GLU 22 N -3.38 0.56 0.03 3.56 2.13 -0.84 -4.57 120.64 118.13 3gqp n GLU 22 Ca 0.00 0.44 -0.12 0.00 0.66 0.00 0.00 57.16 58.14 3gqp n GLU 22 Cb 0.88 -1.63 -0.07 0.00 0.27 0.00 0.00 31.44 30.89 3gqp n GLU 22 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3gqp h VAL 23 N -1.00 0.98 -0.75 6.31 2.07 -1.44 -1.88 116.25 120.54 3gqp h VAL 23 Ca -0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3gqp h VAL 23 Cb 1.32 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3gqp h VAL 23 CO -0.25 0.00 0.38 1.23 0.02 0.00 0.00 177.57 178.94 3gqp h GLY 24 N -0.00 1.15 1.00 2.17 0.00 -1.79 0.12 103.07 105.71 3gqp h GLY 24 Ca 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3gqp h GLY 24 CO -0.02 0.53 0.38 -1.33 0.00 0.00 0.00 176.54 176.10 3gqp h GLY 25 N 1.05 0.91 0.99 4.60 0.00 -1.66 -0.24 103.07 108.72 3gqp h GLY 25 Ca 0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3gqp h GLY 25 CO -0.04 0.37 0.12 0.83 0.00 0.00 0.00 176.54 177.82 3gqp h GLU 26 N 0.85 0.84 -0.78 4.80 5.08 -0.74 0.21 114.58 124.83 3gqp h GLU 26 Ca 0.22 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3gqp h GLU 26 Cb -0.02 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3gqp h GLU 26 CO -0.04 0.80 0.44 0.00 -1.00 0.00 0.00 179.01 179.21 3gqp h ALA 27 N 1.00 1.00 -0.03 3.43 0.00 -0.47 -1.31 119.26 122.88 3gqp h ALA 27 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gqp h ALA 27 Cb 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gqp h ALA 27 CO 0.00 0.50 -0.04 1.25 0.00 0.00 0.00 179.25 180.96 3gqp h LEU 28 N 1.08 0.10 -0.90 0.00 5.85 -0.79 -1.92 115.31 118.74 3gqp h LEU 28 Ca 0.28 -0.52 0.14 0.00 0.84 0.00 0.00 57.88 58.61 3gqp h LEU 28 Cb 0.01 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 3gqp h LEU 28 CO -0.05 0.60 0.51 1.23 -0.34 0.00 0.00 178.44 180.39 3gqp h GLY 29 N -0.40 1.47 1.79 3.75 0.00 -0.57 -2.23 103.07 106.89 3gqp h GLY 29 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 3gqp h GLY 29 CO 0.01 0.03 -0.44 3.21 0.00 0.00 0.00 176.54 179.35 3gqp h ARG 30 N 0.75 0.23 0.21 4.80 3.08 -1.22 -1.12 114.38 121.11 3gqp h ARG 30 Ca 0.47 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 3gqp h ARG 30 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3gqp h ARG 30 CO -0.32 0.64 -0.12 1.25 -1.07 0.00 0.00 179.97 180.35 3gqp h LEU 31 N 0.19 -0.28 -1.06 3.04 5.85 -0.87 -1.50 115.31 120.67 3gqp h LEU 31 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3gqp h LEU 31 Cb 0.86 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3gqp h LEU 31 CO 0.07 -0.19 0.58 -0.07 -0.34 0.00 0.00 178.44 178.49 3gqp h LEU 32 N -0.30 1.07 0.14 2.25 3.38 -1.25 0.97 115.31 121.55 3gqp h LEU 32 Ca -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gqp h LEU 32 Cb 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gqp h LEU 32 CO 0.03 0.79 -0.06 0.58 0.09 0.00 0.00 178.44 179.87 3gqp h VAL 33 N 1.24 0.93 -0.18 1.22 2.07 -1.17 -3.20 116.25 117.17 3gqp h VAL 33 Ca 0.33 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 3gqp h VAL 33 Cb -0.11 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3gqp h VAL 33 CO -0.07 0.25 -0.45 0.58 0.02 0.00 0.00 177.57 177.90 3gqp h VAL 34 N -0.85 1.32 -2.22 2.57 2.07 -1.26 -3.36 116.25 114.52 3gqp h VAL 34 Ca -0.02 -1.63 -0.59 0.00 0.82 0.00 0.00 66.70 65.28 3gqp h VAL 34 Cb 0.54 1.67 -0.41 0.00 -1.52 0.00 0.00 31.29 31.57 3gqp h VAL 34 CO 0.03 0.50 -0.74 -1.22 0.02 0.00 0.00 177.57 176.16 3gqp n TYR 35 N -4.00 2.39 0.30 1.57 4.01 0.33 -4.98 117.16 116.78 3gqp n TYR 35 Ca -0.02 -3.98 0.19 0.00 -0.16 0.00 0.00 57.90 53.93 3gqp n TYR 35 Cb 0.53 -0.48 0.94 0.00 -0.31 0.00 0.00 39.34 40.02 3gqp n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gqp h PRO 36 N 4.27 0.00 0.00 -0.72 0.11 -1.70 -0.20 132.00 133.77 3gqp h PRO 36 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3gqp h PRO 36 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 3gqp h PRO 36 CO 0.71 0.00 -0.08 0.11 -0.21 0.00 0.00 178.00 178.53 3gqp h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.80 115.95 111.96 3gqp h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3gqp h TRP 37 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.40 3gqp h TRP 37 CO 0.00 0.08 0.00 1.79 0.09 0.00 0.00 178.44 180.40 3gqp h THR 38 N 0.00 0.00 -0.92 0.12 1.35 -1.35 -3.19 112.91 108.92 3gqp h THR 38 Ca -0.00 -0.53 0.12 0.00 -0.55 0.00 0.00 66.41 65.45 3gqp h THR 38 Cb 0.27 1.46 -0.07 0.00 -1.73 0.00 0.00 68.15 68.08 3gqp h THR 38 CO 0.01 0.00 0.59 1.56 -0.25 0.00 0.00 175.52 177.43 3gqp h GLN 39 N 0.00 0.82 -0.07 4.72 4.20 -1.68 -2.25 115.11 120.86 3gqp h GLN 39 Ca 0.00 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3gqp h GLN 39 Cb 0.60 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3gqp h GLN 39 CO 0.00 0.54 0.28 -0.09 -0.67 0.00 0.00 178.83 178.89 3gqp h ARG 40 N 0.85 0.00 0.00 1.46 2.43 -1.77 0.77 114.38 118.12 3gqp h ARG 40 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3gqp h ARG 40 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3gqp h ARG 40 CO -0.21 0.00 0.00 0.74 -1.51 0.00 0.00 179.97 178.99 3gqp h PHE 41 N 0.00 0.00 -1.19 2.20 0.04 -1.64 -3.37 116.94 112.98 3gqp h PHE 41 Ca 0.03 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.34 3gqp h PHE 41 Cb 0.58 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.32 3gqp h PHE 41 CO 0.00 0.00 -0.98 1.19 -0.60 0.00 0.00 178.31 177.92 3gqp n PHE 42 N -2.43 2.20 0.25 -0.55 3.72 0.27 -4.87 117.46 116.05 3gqp n PHE 42 Ca 0.04 -2.88 0.12 0.00 -0.05 0.00 0.00 57.45 54.68 3gqp n PHE 42 Cb 0.39 -0.24 0.12 0.00 -0.94 0.00 0.00 39.48 38.82 3gqp n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3gqp h GLU 43 N 2.77 0.00 0.00 -1.08 5.08 -1.73 -3.05 114.58 116.56 3gqp h GLU 43 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3gqp h GLU 43 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3gqp h GLU 43 CO 0.65 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.53 3gqp n SER 44 N -2.75 0.00 -0.40 1.42 3.41 -1.26 -3.50 113.62 110.54 3gqp n SER 44 Ca 0.02 -1.11 0.12 0.00 -0.26 0.00 0.00 58.87 57.65 3gqp n SER 44 Cb 0.52 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.61 3gqp n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gqp n PHE 45 N -0.71 0.00 -1.96 7.33 3.01 -1.15 -5.06 117.46 118.91 3gqp n PHE 45 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 3gqp n PHE 45 Cb 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 3gqp n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gqp n GLY 46 N 1.39 0.62 3.57 1.37 0.00 -1.23 -4.72 105.19 106.19 3gqp n GLY 46 Ca 0.10 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 3gqp n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqp s ASP 47 N -4.00 5.43 -0.22 1.61 -1.08 -1.26 -4.84 116.67 112.30 3gqp s ASP 47 Ca 0.00 0.82 0.12 0.00 -0.52 0.00 0.00 52.55 52.97 3gqp s ASP 47 Cb 0.00 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 39.38 3gqp s ASP 47 CO 0.00 -2.16 1.32 0.18 0.52 0.00 0.00 175.17 175.03 3gqp n LEU 48 N 12.11 3.32 0.00 -1.34 4.77 -1.26 -4.28 117.00 130.32 3gqp n LEU 48 Ca 0.23 -3.62 0.12 0.00 -0.03 0.00 0.00 56.01 52.71 3gqp n LEU 48 Cb 0.50 -0.55 0.53 0.00 -2.33 0.00 0.00 43.42 41.56 3gqp n LEU 48 CO 0.70 1.15 0.89 -1.54 -1.33 0.00 0.00 177.39 177.26 3gqp n SER 49 N -1.10 0.00 -3.86 -1.43 3.41 -1.26 -4.78 113.62 104.59 3gqp n SER 49 Ca 0.24 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.23 3gqp n SER 49 Cb 0.84 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 3gqp n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gqp s SER 50 N -2.98 -0.21 0.13 4.04 1.04 -1.26 -5.03 113.70 109.43 3gqp s SER 50 Ca 0.12 -0.67 -0.19 0.00 0.48 0.00 0.00 55.95 55.69 3gqp s SER 50 Cb 0.16 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 3gqp s SER 50 CO 0.44 -1.17 1.77 0.00 0.98 0.00 0.00 173.24 175.25 3gqp h ALA 51 N 2.15 0.27 -0.66 5.32 0.00 -1.98 -0.93 119.26 123.44 3gqp h ALA 51 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3gqp h ALA 51 Cb 1.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3gqp h ALA 51 CO 0.32 -0.30 0.37 -0.44 0.00 0.00 0.00 179.25 179.20 3gqp h ASP 52 N 0.24 0.82 0.03 0.00 5.19 -1.97 -0.00 116.42 120.72 3gqp h ASP 52 Ca 0.09 -0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3gqp h ASP 52 Cb 0.02 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 3gqp h ASP 52 CO -0.06 0.67 -0.16 0.00 -3.12 0.00 0.00 179.24 176.57 3gqp h ALA 53 N 1.18 1.43 0.02 3.45 0.00 -1.84 -2.13 119.26 121.37 3gqp h ALA 53 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3gqp h ALA 53 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gqp h ALA 53 CO -0.04 0.40 -0.12 0.82 0.00 0.00 0.00 179.25 180.30 3gqp h ILE 54 N 0.25 1.70 0.00 0.00 2.04 -0.71 -3.12 117.51 117.67 3gqp h ILE 54 Ca 0.05 -2.21 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 3gqp h ILE 54 Cb 0.44 3.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3gqp h ILE 54 CO 0.03 0.58 -0.02 0.24 0.00 0.00 0.00 178.15 178.98 3gqp h MET 55 N -0.82 0.00 -0.32 2.37 2.86 -1.02 -1.96 114.93 116.04 3gqp h MET 55 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3gqp h MET 55 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3gqp h MET 55 CO 0.02 0.02 0.00 -1.13 1.06 0.00 0.00 176.91 176.89 3gqp n SER 56 N -3.35 3.53 -4.64 1.22 3.41 -0.80 -4.95 113.62 108.04 3gqp n SER 56 Ca -0.02 -2.54 -0.43 0.00 -0.26 0.00 0.00 58.87 55.62 3gqp n SER 56 Cb 0.14 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 3gqp n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gqp s ASN 57 N -1.45 6.84 0.37 4.04 3.84 -0.74 -4.90 114.94 122.93 3gqp s ASN 57 Ca 0.34 1.38 0.15 0.00 0.21 0.00 0.00 52.86 54.94 3gqp s ASN 57 Cb 0.24 -2.54 1.03 0.00 -0.55 0.00 0.00 41.25 39.44 3gqp s ASN 57 CO 0.13 -0.91 1.74 0.00 -2.79 0.00 0.00 177.10 175.27 3gqp h ALA 58 N 8.60 2.07 0.14 1.71 0.00 -1.92 -0.65 119.26 129.21 3gqp h ALA 58 Ca -0.25 0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 3gqp h ALA 58 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gqp h ALA 58 CO 1.01 -0.52 -1.34 0.87 0.00 0.00 0.00 179.25 179.26 3gqp h LYS 59 N 0.45 0.29 -0.47 0.00 1.57 -1.91 -0.50 116.57 116.01 3gqp h LYS 59 Ca 0.63 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3gqp h LYS 59 Cb 1.45 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 3gqp h LYS 59 CO -0.39 1.21 0.29 0.28 -0.57 0.00 0.00 179.45 180.27 3gqp h VAL 60 N 0.08 1.14 -0.35 0.50 2.07 -1.83 0.35 116.25 118.21 3gqp h VAL 60 Ca -0.17 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3gqp h VAL 60 Cb 2.00 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3gqp h VAL 60 CO 0.20 0.14 0.17 0.11 0.02 0.00 0.00 177.57 178.21 3gqp h LYS 61 N 0.63 0.50 -0.33 1.57 1.57 -1.00 0.32 116.57 119.83 3gqp h LYS 61 Ca 0.17 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 3gqp h LYS 61 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3gqp h LYS 61 CO -0.03 0.45 -0.40 0.00 -0.57 0.00 0.00 179.45 178.90 3gqp h ALA 62 N 1.03 0.68 -0.62 3.86 0.00 -1.07 -2.36 119.26 120.76 3gqp h ALA 62 Ca 0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3gqp h ALA 62 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gqp h ALA 62 CO -0.02 0.67 0.05 1.25 0.00 0.00 0.00 179.25 181.20 3gqp h HIS 63 N 0.65 1.14 -0.12 0.00 -0.00 -0.07 -2.80 115.15 113.94 3gqp h HIS 63 Ca 0.05 -0.17 0.03 0.00 -0.00 0.00 0.00 60.37 60.28 3gqp h HIS 63 Cb 0.96 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 3gqp h HIS 63 CO 0.05 0.98 0.09 0.78 -0.00 0.00 0.00 177.93 179.83 3gqp h GLY 64 N 1.02 0.05 1.29 5.26 0.00 -0.17 -1.55 103.07 108.99 3gqp h GLY 64 Ca 0.18 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.29 3gqp h GLY 64 CO 0.02 0.02 -0.72 1.70 0.00 0.00 0.00 176.54 177.56 3gqp h LYS 65 N 0.05 0.70 -0.56 4.80 3.64 -1.18 0.20 116.57 124.22 3gqp h LYS 65 Ca 0.06 -0.55 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 3gqp h LYS 65 Cb 0.16 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3gqp h LYS 65 CO -0.00 1.16 0.04 0.87 -2.27 0.00 0.00 179.45 179.25 3gqp h LYS 66 N 0.49 0.97 -0.21 1.90 1.57 -1.20 -0.19 116.57 119.91 3gqp h LYS 66 Ca -0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3gqp h LYS 66 Cb 1.33 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3gqp h LYS 66 CO 0.14 0.95 0.13 0.28 -0.57 0.00 0.00 179.45 180.39 3gqp h VAL 67 N 0.85 1.05 -0.32 0.50 2.07 -1.23 -2.15 116.25 117.02 3gqp h VAL 67 Ca 0.16 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3gqp h VAL 67 Cb 0.49 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3gqp h VAL 67 CO 0.02 0.05 0.20 0.25 0.02 0.00 0.00 177.57 178.11 3gqp h LEU 68 N 0.28 0.38 -1.63 2.57 5.85 -0.50 -2.51 115.31 119.73 3gqp h LEU 68 Ca 0.08 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3gqp h LEU 68 Cb -0.03 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3gqp h LEU 68 CO -0.02 0.31 0.36 0.78 -0.34 0.00 0.00 178.44 179.53 3gqp h ASN 69 N 0.41 0.39 0.22 1.25 2.35 -0.98 -1.41 115.58 117.82 3gqp h ASN 69 Ca 0.11 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 3gqp h ASN 69 Cb -0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3gqp h ASN 69 CO -0.02 0.25 -0.42 0.77 -1.65 0.00 0.00 177.43 176.36 3gqp h SER 70 N 0.44 0.28 -0.33 5.81 4.64 -1.08 0.13 113.55 123.45 3gqp h SER 70 Ca 0.23 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 3gqp h SER 70 Cb 0.36 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3gqp h SER 70 CO -0.06 0.67 -0.14 -0.26 -0.87 0.00 0.00 176.83 176.17 3gqp h PHE 71 N 0.22 0.86 -0.35 4.77 0.04 -0.88 -1.80 116.94 119.80 3gqp h PHE 71 Ca 0.02 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.58 3gqp h PHE 71 Cb 0.84 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 3gqp h PHE 71 CO 0.02 0.86 0.05 0.77 -0.60 0.00 0.00 178.31 179.41 3gqp h SER 72 N 0.69 0.55 -1.00 2.17 0.02 -0.95 -0.71 113.55 114.33 3gqp h SER 72 Ca 0.11 -0.26 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 3gqp h SER 72 Cb 0.63 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 3gqp h SER 72 CO 0.04 0.68 0.64 0.44 -1.14 0.00 0.00 176.83 177.49 3gqp h ASP 73 N 0.41 1.00 -0.38 3.07 3.32 -0.96 0.35 116.42 123.22 3gqp h ASP 73 Ca 0.11 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3gqp h ASP 73 Cb 0.36 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3gqp h ASP 73 CO 0.01 0.61 0.11 1.23 -1.72 0.00 0.00 179.24 179.48 3gqp h GLY 74 N 1.12 0.65 1.02 2.75 0.00 -0.99 0.44 103.07 108.06 3gqp h GLY 74 Ca 0.44 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.43 3gqp h GLY 74 CO -0.19 0.37 0.52 1.41 0.00 0.00 0.00 176.54 178.65 3gqp h LEU 75 N 0.47 0.79 -1.19 3.11 4.07 -0.90 0.73 115.31 122.38 3gqp h LEU 75 Ca 0.12 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3gqp h LEU 75 Cb 0.28 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3gqp h LEU 75 CO -0.00 0.52 0.00 0.11 -1.08 0.00 0.00 178.44 177.99 3gqp h LYS 76 N 0.90 0.00 -0.30 1.13 1.57 -0.15 -3.22 116.57 116.49 3gqp h LYS 76 Ca 0.33 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.87 3gqp h LYS 76 Cb 0.17 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.16 3gqp h LYS 76 CO -0.11 0.00 -0.89 0.09 -0.57 0.00 0.00 179.45 177.97 3gqp n ASN 77 N -2.75 2.28 0.30 0.86 3.02 0.07 -4.97 115.26 114.07 3gqp n ASN 77 Ca 0.01 -2.86 0.16 0.00 -0.03 0.00 0.00 54.58 51.87 3gqp n ASN 77 Cb 0.27 -0.41 0.92 0.00 -0.61 0.00 0.00 39.78 39.95 3gqp n ASN 77 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gqp h ILE 78 N 4.11 0.39 -0.00 2.41 6.09 -0.90 0.75 117.51 130.36 3gqp h ILE 78 Ca -0.01 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 3gqp h ILE 78 Cb 1.44 1.13 0.00 0.00 0.47 0.00 0.00 36.82 39.86 3gqp h ILE 78 CO 0.26 0.04 -0.18 0.47 -3.07 0.00 0.00 178.15 175.67 3gqp n ASP 79 N -3.57 0.20 -3.13 2.19 8.00 -1.26 -4.35 116.55 114.64 3gqp n ASP 79 Ca -0.02 0.16 -0.21 0.00 0.71 0.00 0.00 54.79 55.42 3gqp n ASP 79 Cb 0.14 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 3gqp n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gqp n ASP 80 N -1.46 -0.46 0.09 -2.24 2.03 0.25 -4.96 116.55 109.80 3gqp n ASP 80 Ca 0.07 -2.77 -0.05 0.00 0.52 0.00 0.00 54.79 52.56 3gqp n ASP 80 Cb 0.33 -0.18 0.11 0.00 -0.72 0.00 0.00 41.12 40.66 3gqp n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3gqp h LEU 81 N 4.16 0.26 -0.28 -2.67 3.38 -1.74 -2.28 115.31 116.14 3gqp h LEU 81 Ca 0.05 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3gqp h LEU 81 Cb 0.91 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3gqp h LEU 81 CO 0.42 0.82 0.09 0.11 0.09 0.00 0.00 178.44 179.97 3gqp h LYS 82 N 0.17 0.20 -0.22 1.13 1.57 -1.90 -0.13 116.57 117.38 3gqp h LYS 82 Ca -0.01 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3gqp h LYS 82 Cb 1.14 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3gqp h LYS 82 CO 0.10 0.13 -0.35 0.78 -0.57 0.00 0.00 179.45 179.54 3gqp h GLY 83 N 0.21 0.69 0.86 3.86 0.00 -1.93 -0.54 103.07 106.22 3gqp h GLY 83 Ca 0.13 -0.77 0.09 0.00 0.00 0.00 0.00 47.33 46.77 3gqp h GLY 83 CO -0.14 0.70 0.52 0.00 0.00 0.00 0.00 176.54 177.61 3gqp h ALA 84 N 0.63 1.74 -0.09 3.60 0.00 -1.27 -3.11 119.26 120.76 3gqp h ALA 84 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gqp h ALA 84 Cb 0.93 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gqp h ALA 84 CO 0.08 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.62 3gqp n PHE 85 N -4.50 0.09 -0.15 0.00 3.72 -0.08 -4.67 117.46 111.87 3gqp n PHE 85 Ca 0.13 -0.05 -0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3gqp n PHE 85 Cb 0.31 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.89 3gqp n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gqp h ALA 86 N 3.87 0.55 -0.29 4.37 0.00 -1.02 0.85 119.26 127.59 3gqp h ALA 86 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3gqp h ALA 86 Cb 0.84 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3gqp h ALA 86 CO 0.00 -0.22 -0.44 0.87 0.00 0.00 0.00 179.25 179.46 3gqp h LYS 87 N 0.34 0.75 -0.20 0.00 1.57 -1.83 -2.59 116.57 114.61 3gqp h LYS 87 Ca 0.22 -0.41 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 3gqp h LYS 87 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3gqp h LYS 87 CO -0.22 1.04 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.25 3gqp h LEU 88 N 0.60 0.46 0.09 2.94 3.38 -1.51 -2.10 115.31 119.17 3gqp h LEU 88 Ca 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gqp h LEU 88 Cb 1.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3gqp h LEU 88 CO 0.09 0.80 -0.04 -1.28 0.09 0.00 0.00 178.44 178.10 3gqp h SER 89 N 0.37 -0.10 -0.22 -0.43 0.87 0.73 0.88 113.55 115.65 3gqp h SER 89 Ca 0.04 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3gqp h SER 89 Cb 0.84 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.77 3gqp h SER 89 CO 0.07 0.01 -0.10 -0.33 -0.53 0.00 0.00 176.83 175.95 3gqp h GLU 90 N -0.21 -0.07 0.17 2.24 5.08 -1.45 -1.60 114.58 118.74 3gqp h GLU 90 Ca -0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3gqp h GLU 90 Cb 0.17 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3gqp h GLU 90 CO 0.02 -0.04 -0.52 1.25 -1.00 0.00 0.00 179.01 178.72 3gqp h LEU 91 N -0.07 -1.53 -2.01 1.33 5.85 -1.25 0.12 115.31 117.75 3gqp h LEU 91 Ca 0.12 0.16 0.08 0.00 0.84 0.00 0.00 57.88 59.07 3gqp h LEU 91 Cb 0.24 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3gqp h LEU 91 CO -0.27 -0.57 0.20 0.45 -0.34 0.00 0.00 178.44 177.91 3gqp h HIS 92 N -0.78 0.00 0.06 1.25 3.86 -0.64 -1.33 115.15 117.57 3gqp h HIS 92 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3gqp h HIS 92 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 3gqp h HIS 92 CO -0.42 0.00 -0.03 0.00 0.86 0.00 0.00 177.93 178.34 3gqp h ASP 94 N -0.59 0.73 0.31 0.00 3.32 -0.64 -2.75 116.42 116.79 3gqp h ASP 94 Ca -0.01 -0.53 -0.22 0.00 0.02 0.00 0.00 57.03 56.30 3gqp h ASP 94 Cb 0.06 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3gqp h ASP 94 CO 0.01 1.11 -1.89 0.29 -1.72 0.00 0.00 179.24 177.05 3gqp n LYS 95 N -4.24 0.65 -0.02 3.56 4.76 -0.52 -4.65 118.16 117.71 3gqp n LYS 95 Ca -0.05 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3gqp n LYS 95 Cb 0.52 -1.65 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 3gqp n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gqp n LEU 96 N -2.74 0.00 -3.64 -0.35 4.77 -1.09 -5.01 117.00 108.94 3gqp n LEU 96 Ca -0.17 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 3gqp n LEU 96 Cb 0.92 0.07 0.07 0.00 -2.33 0.00 0.00 43.42 42.16 3gqp n LEU 96 CO 0.44 0.07 0.23 1.41 -1.33 0.00 0.00 177.39 178.21 3gqp n HIS 97 N -1.97 -2.82 -2.98 -1.77 8.25 -0.31 -4.95 115.22 108.67 3gqp n HIS 97 Ca -0.06 1.00 -0.41 0.00 -0.26 0.00 0.00 57.72 58.00 3gqp n HIS 97 Cb 0.43 -4.91 -0.05 0.00 1.12 0.00 0.00 29.99 26.58 3gqp n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gqp s VAL 98 N -3.32 4.97 0.03 1.59 1.01 -0.83 -5.03 120.40 118.82 3gqp s VAL 98 Ca 0.59 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.77 3gqp s VAL 98 Cb -0.27 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 3gqp s VAL 98 CO 0.74 0.13 1.75 -0.62 0.00 0.00 0.00 175.10 177.10 3gqp s ASP 99 N 1.02 6.57 0.17 3.32 3.68 -1.26 -4.76 116.67 125.40 3gqp s ASP 99 Ca 0.37 2.49 0.15 0.00 2.13 0.00 0.00 52.55 57.69 3gqp s ASP 99 Cb -0.17 -2.55 0.74 0.00 -1.45 0.00 0.00 42.92 39.49 3gqp s ASP 99 CO 0.15 -0.95 1.47 -2.65 0.13 0.00 0.00 175.17 173.32 3gqp n PRO 100 N 6.50 0.09 -0.17 4.34 -0.02 -1.26 -1.13 135.00 143.35 3gqp n PRO 100 Ca 0.17 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 62.13 3gqp n PRO 100 Cb 0.41 -1.74 0.24 0.00 -0.02 0.00 0.00 33.50 32.38 3gqp n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gqp h GLU 101 N 0.00 0.91 0.00 -0.52 4.57 -1.96 -1.98 114.58 115.59 3gqp h GLU 101 Ca 0.00 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3gqp h GLU 101 Cb 0.13 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3gqp h GLU 101 CO 0.00 0.67 -0.04 -0.91 -1.18 0.00 0.00 179.01 177.55 3gqp h ASN 102 N 0.91 0.00 -0.23 1.04 -0.26 -1.52 -3.18 115.58 112.35 3gqp h ASN 102 Ca 0.23 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.93 3gqp h ASN 102 Cb 0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 3gqp h ASN 102 CO -0.04 0.04 0.01 -0.26 -1.06 0.00 0.00 177.43 176.13 3gqp h PHE 103 N 0.00 0.52 -0.22 1.19 0.04 -1.48 -2.30 116.94 114.68 3gqp h PHE 103 Ca -0.00 -0.05 -0.19 0.00 2.80 0.00 0.00 57.97 60.53 3gqp h PHE 103 Cb 0.20 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3gqp h PHE 103 CO 0.00 0.51 -0.63 0.00 -0.60 0.00 0.00 178.31 177.59 3gqp h ARG 104 N 0.49 0.78 -0.26 1.51 3.08 -1.66 -2.32 114.38 116.00 3gqp h ARG 104 Ca 0.11 -0.54 0.06 0.00 0.07 0.00 0.00 59.98 59.67 3gqp h ARG 104 Cb 0.31 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 3gqp h ARG 104 CO 0.01 1.17 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.89 3gqp h LEU 105 N 0.57 -0.38 -0.31 3.04 3.38 -1.49 -1.66 115.31 118.46 3gqp h LEU 105 Ca -0.01 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3gqp h LEU 105 Cb 1.24 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3gqp h LEU 105 CO 0.13 -0.14 -0.07 0.25 0.09 0.00 0.00 178.44 178.70 3gqp h LEU 106 N -0.07 0.60 -0.54 1.67 5.85 -1.48 -1.84 115.31 119.50 3gqp h LEU 106 Ca 0.14 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.58 3gqp h LEU 106 Cb 0.28 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 3gqp h LEU 106 CO -0.31 0.82 0.15 1.23 -0.34 0.00 0.00 178.44 180.00 3gqp h GLY 107 N 0.37 0.70 1.81 3.75 0.00 -1.32 -1.63 103.07 106.75 3gqp h GLY 107 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3gqp h GLY 107 CO 0.03 -0.04 -0.13 3.43 0.00 0.00 0.00 176.54 179.82 3gqp h ASN 108 N 0.31 0.22 -0.55 0.19 2.35 -1.14 -0.39 115.58 116.58 3gqp h ASN 108 Ca 0.27 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3gqp h ASN 108 Cb 0.34 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3gqp h ASN 108 CO -0.31 0.38 0.14 0.58 -1.65 0.00 0.00 177.43 176.57 3gqp h VAL 109 N 0.23 1.24 -0.59 2.81 2.07 -1.03 -0.84 116.25 120.14 3gqp h VAL 109 Ca 0.05 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3gqp h VAL 109 Cb 0.38 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3gqp h VAL 109 CO 0.02 0.32 0.25 0.25 0.02 0.00 0.00 177.57 178.43 3gqp h LEU 110 N 0.78 0.80 -1.32 2.57 5.85 -0.65 0.15 115.31 123.49 3gqp h LEU 110 Ca 0.17 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3gqp h LEU 110 Cb 0.33 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3gqp h LEU 110 CO 0.00 0.74 0.48 0.58 -0.34 0.00 0.00 178.44 179.89 3gqp h VAL 111 N 0.81 1.12 -0.34 1.05 2.07 -0.99 0.16 116.25 120.13 3gqp h VAL 111 Ca 0.20 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 3gqp h VAL 111 Cb 0.17 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3gqp h VAL 111 CO -0.02 0.16 -0.30 0.00 0.02 0.00 0.00 177.57 177.43 3gqp h VAL 113 N 0.61 1.34 -0.36 0.00 2.07 -0.32 -1.29 116.25 118.30 3gqp h VAL 113 Ca 0.07 -1.80 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 3gqp h VAL 113 Cb 0.82 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3gqp h VAL 113 CO 0.07 0.55 0.02 -0.07 0.02 0.00 0.00 177.57 178.16 3gqp h LEU 114 N 0.34 0.61 -0.93 2.57 3.38 -0.56 -1.22 115.31 119.50 3gqp h LEU 114 Ca 0.01 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3gqp h LEU 114 Cb 1.05 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 3gqp h LEU 114 CO 0.09 0.75 0.57 0.00 0.09 0.00 0.00 178.44 179.95 3gqp h ALA 115 N 0.88 1.33 0.12 1.53 0.00 -1.21 -0.05 119.26 121.85 3gqp h ALA 115 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gqp h ALA 115 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gqp h ALA 115 CO 0.01 0.25 -0.06 1.25 0.00 0.00 0.00 179.25 180.71 3gqp h HIS 116 N 0.98 -0.14 -0.18 0.00 -0.00 -0.83 0.25 115.15 115.22 3gqp h HIS 116 Ca 0.43 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.70 3gqp h HIS 116 Cb 0.32 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 3gqp h HIS 116 CO -0.02 0.07 -0.31 0.45 -0.00 0.00 0.00 177.93 178.11 3gqp h HIS 117 N -0.34 0.41 -0.00 5.26 -0.00 -1.15 -3.34 115.15 115.99 3gqp h HIS 117 Ca -0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 3gqp h HIS 117 Cb 0.28 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 3gqp h HIS 117 CO -0.01 0.64 -0.52 1.19 -0.00 0.00 0.00 177.93 179.23 3gqp n PHE 118 N -4.10 0.00 -0.40 2.45 3.72 -0.04 -5.06 117.46 114.04 3gqp n PHE 118 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3gqp n PHE 118 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3gqp n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqp n GLY 119 N 1.23 2.57 0.45 1.37 0.00 0.07 -2.12 105.19 108.77 3gqp n GLY 119 Ca 0.03 -0.09 0.31 0.00 0.00 0.00 0.00 46.02 46.27 3gqp n GLY 119 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3gqp h HIS 120 N 0.00 0.54 0.00 1.61 -0.00 -1.97 0.39 115.15 115.72 3gqp h HIS 120 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3gqp h HIS 120 Cb 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.26 3gqp h HIS 120 CO 0.00 -0.09 -0.01 -0.44 -0.00 0.00 0.00 177.93 177.39 3gqp h ASP 121 N 0.20 0.00 -2.20 3.26 3.32 -1.83 -3.27 116.42 115.90 3gqp h ASP 121 Ca 0.72 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.99 3gqp h ASP 121 Cb 2.15 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 41.49 3gqp h ASP 121 CO -0.35 0.01 1.37 0.33 -1.72 0.00 0.00 179.24 178.89 3gqp n PHE 122 N -3.22 2.93 -1.67 4.55 7.35 0.14 -4.88 117.46 122.65 3gqp n PHE 122 Ca -0.02 -2.81 -0.29 0.00 -0.76 0.00 0.00 57.45 53.57 3gqp n PHE 122 Cb 0.13 -1.66 0.11 0.00 0.35 0.00 0.00 39.48 38.40 3gqp n PHE 122 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3gqp s ASN 123 N -0.07 4.08 0.52 -2.13 2.20 -1.24 -4.68 114.94 113.63 3gqp s ASN 123 Ca 0.36 0.96 0.19 0.00 -0.94 0.00 0.00 52.86 53.43 3gqp s ASN 123 Cb 0.06 -1.55 1.31 0.00 -2.00 0.00 0.00 41.25 39.07 3gqp s ASN 123 CO 0.04 -2.19 2.09 -0.65 -2.94 0.00 0.00 177.10 173.45 3gqp h PRO 124 N -1.25 0.00 -0.10 3.55 0.11 -1.95 -0.02 132.00 132.35 3gqp h PRO 124 Ca -0.48 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 3gqp h PRO 124 Cb 1.32 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3gqp h PRO 124 CO 0.63 0.00 -0.71 1.96 -0.21 0.00 0.00 178.00 179.67 3gqp h GLN 125 N 0.00 0.47 -0.15 1.05 7.50 -1.99 -1.11 115.11 120.88 3gqp h GLN 125 Ca 0.09 -0.37 -0.07 0.00 0.50 0.00 0.00 58.65 58.81 3gqp h GLN 125 Cb 0.36 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 3gqp h GLN 125 CO -0.00 1.00 -0.16 0.28 -1.50 0.00 0.00 178.83 178.44 3gqp h VAL 126 N 0.32 1.35 -0.40 -0.54 2.07 -1.53 -3.06 116.25 114.46 3gqp h VAL 126 Ca -0.03 -1.34 0.08 0.00 0.82 0.00 0.00 66.70 66.23 3gqp h VAL 126 Cb 1.29 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 32.87 3gqp h VAL 126 CO 0.13 0.39 -0.16 -0.61 0.02 0.00 0.00 177.57 177.34 3gqp h GLN 127 N -0.01 -0.07 -0.94 1.57 4.15 -1.07 -2.17 115.11 116.57 3gqp h GLN 127 Ca 0.02 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.57 3gqp h GLN 127 Cb 0.70 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.33 3gqp h GLN 127 CO 0.04 -0.05 0.56 0.00 -1.93 0.00 0.00 178.83 177.45 3gqp h ALA 128 N 1.25 1.41 -0.24 3.38 0.00 -1.16 0.73 119.26 124.62 3gqp h ALA 128 Ca 0.19 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3gqp h ALA 128 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gqp h ALA 128 CO -0.45 0.13 -0.09 0.00 0.00 0.00 0.00 179.25 178.84 3gqp h ALA 129 N 1.53 0.34 0.00 0.00 0.00 -1.43 -1.19 119.26 118.50 3gqp h ALA 129 Ca 0.47 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3gqp h ALA 129 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gqp h ALA 129 CO -0.28 0.16 -0.24 0.74 0.00 0.00 0.00 179.25 179.63 3gqp h PHE 130 N 0.21 0.00 -0.57 0.00 0.04 -0.64 -1.95 116.94 114.03 3gqp h PHE 130 Ca 0.06 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 3gqp h PHE 130 Cb 0.57 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 3gqp h PHE 130 CO 0.06 0.24 -0.06 1.96 -0.60 0.00 0.00 178.31 179.91 3gqp h GLN 131 N 0.00 1.05 -0.58 1.51 1.08 0.92 -1.10 115.11 117.99 3gqp h GLN 131 Ca -0.00 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.82 3gqp h GLN 131 Cb 0.56 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 3gqp h GLN 131 CO 0.03 1.05 0.28 0.87 -0.95 0.00 0.00 178.83 180.12 3gqp h LYS 132 N 0.94 0.81 0.22 1.46 1.57 -0.59 -1.13 116.57 119.85 3gqp h LYS 132 Ca 0.16 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3gqp h LYS 132 Cb 0.62 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3gqp h LYS 132 CO 0.04 0.63 -0.10 0.28 -0.57 0.00 0.00 179.45 179.72 3gqp h VAL 133 N 0.82 0.83 -0.31 0.50 2.07 -1.12 -1.97 116.25 117.07 3gqp h VAL 133 Ca 0.20 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3gqp h VAL 133 Cb 0.08 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3gqp h VAL 133 CO -0.03 0.17 -0.03 -0.37 0.02 0.00 0.00 177.57 177.34 3gqp h VAL 134 N -0.76 1.19 -0.39 2.57 -1.51 -1.09 0.73 116.25 117.00 3gqp h VAL 134 Ca -0.03 -0.79 -0.09 0.00 -1.23 0.00 0.00 66.70 64.57 3gqp h VAL 134 Cb 0.50 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3gqp h VAL 134 CO 0.05 0.27 -0.09 0.00 -1.23 0.00 0.00 177.57 176.56 3gqp h ALA 135 N 1.52 0.53 -0.45 5.19 0.00 -1.25 -1.66 119.26 123.14 3gqp h ALA 135 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3gqp h ALA 135 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gqp h ALA 135 CO 0.01 0.39 0.25 0.78 0.00 0.00 0.00 179.25 180.69 3gqp h GLY 136 N 0.55 0.67 0.59 0.00 0.00 -0.97 -0.78 103.07 103.13 3gqp h GLY 136 Ca 0.10 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.16 3gqp h GLY 136 CO 0.04 0.28 -0.18 -2.08 0.00 0.00 0.00 176.54 174.60 3gqp h VAL 137 N 0.59 0.58 -0.55 4.60 2.07 -0.85 -1.86 116.25 120.82 3gqp h VAL 137 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3gqp h VAL 137 Cb 0.04 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3gqp h VAL 137 CO -0.03 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.80 3gqp h ALA 138 N 0.61 1.40 -0.59 1.67 0.00 -1.24 -0.99 119.26 120.12 3gqp h ALA 138 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3gqp h ALA 138 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3gqp h ALA 138 CO -0.16 0.47 0.15 -0.91 0.00 0.00 0.00 179.25 178.80 3gqp h ASN 139 N 0.77 0.88 -0.18 0.00 4.21 -0.97 -1.79 115.58 118.50 3gqp h ASN 139 Ca 0.19 -0.23 -0.17 0.00 1.21 0.00 0.00 56.30 57.31 3gqp h ASN 139 Cb 0.12 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.08 3gqp h ASN 139 CO -0.02 0.87 -0.50 0.00 -1.29 0.00 0.00 177.43 176.49 3gqp h ALA 140 N 1.04 0.60 0.00 -0.83 0.00 -1.07 -0.61 119.26 118.39 3gqp h ALA 140 Ca 0.19 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3gqp h ALA 140 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gqp h ALA 140 CO -0.00 0.68 -0.26 -0.07 0.00 0.00 0.00 179.25 179.60 3gqp h LEU 141 N 0.59 0.00 0.00 0.00 3.38 -1.21 -3.01 115.31 115.06 3gqp h LEU 141 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3gqp h LEU 141 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3gqp h LEU 141 CO 0.11 0.26 -0.34 0.00 0.09 0.00 0.00 178.44 178.55 3gqp h ALA 142 N 1.74 0.83 -0.48 1.53 0.00 -0.97 -3.40 119.26 118.52 3gqp h ALA 142 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3gqp h ALA 142 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gqp h ALA 142 CO 0.03 0.09 0.02 1.25 0.00 0.00 0.00 179.25 180.64 3gqp h HIS 143 N 0.00 0.82 -0.24 0.00 6.17 -0.97 -2.72 115.15 118.21 3gqp h HIS 143 Ca -0.01 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 3gqp h HIS 143 Cb 1.06 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.76 3gqp h HIS 143 CO 0.00 0.75 0.00 1.63 0.71 0.00 0.00 177.93 181.02 3gqp n LYS 144 N -4.23 1.67 -1.64 5.26 5.02 -1.26 -4.91 118.16 118.07 3gqp n LYS 144 Ca 0.03 -1.03 -0.35 0.00 -2.02 0.00 0.00 58.31 54.94 3gqp n LYS 144 Cb 0.29 -1.29 0.07 0.00 -0.02 0.00 0.00 35.03 34.08 3gqp n LYS 144 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gqp s TYR 145 N -1.68 2.15 0.00 2.13 2.02 -1.03 -4.70 117.35 116.24 3gqp s TYR 145 Ca 0.25 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.50 3gqp s TYR 145 Cb 0.13 -3.51 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 3gqp s TYR 145 CO 0.18 -2.55 0.00 -2.39 -1.57 0.00 0.00 175.55 169.22