#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1prq h TRP 2 N 0.00 0.00 0.00 7.33 4.06 -2.00 -3.17 115.95 122.17 1prq h TRP 2 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1prq h TRP 2 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1prq h TRP 2 CO 0.00 0.15 -0.02 0.37 -3.56 0.00 0.00 178.44 175.37 1prq h GLN 3 N 0.00 0.00 -0.41 0.49 5.75 -1.93 -1.81 115.11 117.21 1prq h GLN 3 Ca -0.00 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 1prq h GLN 3 Cb 0.97 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1prq h GLN 3 CO 0.02 0.02 -0.29 0.00 -2.65 0.00 0.00 178.83 175.94 1prq h THR 4 N 0.00 1.27 -0.57 2.39 1.03 -1.98 -1.67 112.91 113.38 1prq h THR 4 Ca -0.00 -1.45 -0.07 0.00 -0.01 0.00 0.00 66.41 64.89 1prq h THR 4 Cb 0.06 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 68.38 1prq h THR 4 CO 0.00 0.49 0.10 1.88 -0.01 0.00 0.00 175.52 177.97 1prq h TYR 5 N 0.75 0.96 -0.19 0.00 0.05 -1.53 0.41 116.97 117.43 1prq h TYR 5 Ca 0.09 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 1prq h TYR 5 Cb 0.85 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 1prq h TYR 5 CO 0.05 0.82 -0.10 0.28 -1.05 0.00 0.00 178.16 178.16 1prq h VAL 6 N 0.87 1.31 0.01 -2.88 2.07 -1.23 -0.34 116.25 116.06 1prq h VAL 6 Ca 0.18 -1.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1prq h VAL 6 Cb 0.38 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1prq h VAL 6 CO 0.01 0.35 -0.52 0.44 0.02 0.00 0.00 177.57 177.87 1prq h ASP 7 N 0.09 0.44 0.00 0.57 3.32 -1.09 -0.04 116.42 119.70 1prq h ASP 7 Ca 0.04 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.31 1prq h ASP 7 Cb 0.60 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1prq h ASP 7 CO 0.03 1.17 -0.32 0.74 -1.72 0.00 0.00 179.24 179.14 1prq h THR 8 N -0.24 0.00 0.00 0.35 2.02 -0.31 0.06 112.91 114.79 1prq h THR 8 Ca -0.07 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1prq h THR 8 Cb 1.26 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1prq h THR 8 CO 0.10 0.00 0.00 0.78 0.37 0.00 0.00 175.52 176.77 1prq h ASN 9 N -0.78 0.00 0.00 4.18 2.35 -1.57 -3.13 115.58 116.63 1prq h ASN 9 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1prq h ASN 9 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1prq h ASN 9 CO 0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 1prq n LEU 10 N -2.66 0.00 0.01 1.61 4.77 -0.16 -4.60 117.00 115.97 1prq n LEU 10 Ca 0.02 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1prq n LEU 10 Cb 0.30 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.98 1prq n LEU 10 CO 0.25 0.00 1.16 0.58 -1.33 0.00 0.00 177.39 178.05 1prq h VAL 11 N 0.00 0.86 0.00 4.08 2.07 -1.18 -2.17 116.25 119.91 1prq h VAL 11 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1prq h VAL 11 Cb 0.00 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1prq h VAL 11 CO 0.00 0.03 -0.10 1.23 0.02 0.00 0.00 177.57 178.75 1prq h GLY 12 N 0.19 0.00 2.00 2.17 0.00 -0.94 -1.20 103.07 105.30 1prq h GLY 12 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1prq h GLY 12 CO -0.04 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.20 1prq n THR 13 N -4.27 0.78 -0.93 4.70 -2.24 -0.82 -4.85 114.28 106.66 1prq n THR 13 Ca -0.03 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1prq n THR 13 Cb 0.18 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1prq n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1prq n GLY 14 N 0.31 0.49 0.12 3.38 0.00 -0.45 -4.86 105.19 104.18 1prq n GLY 14 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1prq n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1prq h ALA 15 N 0.00 0.69 -3.74 4.61 0.00 -1.79 -3.45 119.26 115.58 1prq h ALA 15 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1prq h ALA 15 Cb 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.70 1prq h ALA 15 CO 0.00 0.00 -0.75 0.14 0.00 0.00 0.00 179.25 178.64 1prq s VAL 16 N -3.24 0.50 -0.04 0.00 -7.23 -1.26 -4.38 120.40 104.75 1prq s VAL 16 Ca 0.05 -0.47 0.11 0.00 -1.81 0.00 0.00 61.98 59.86 1prq s VAL 16 Cb 0.10 -0.46 -0.23 0.00 0.56 0.00 0.00 36.38 36.35 1prq s VAL 16 CO 0.72 0.00 0.68 0.71 -0.31 0.00 0.00 175.10 176.90 1prq h THR 17 N 4.87 0.87 -3.71 5.32 1.35 -1.10 -3.40 112.91 117.10 1prq h THR 17 Ca -0.30 -2.72 -0.28 0.00 -0.55 0.00 0.00 66.41 62.57 1prq h THR 17 Cb 1.19 2.44 -0.16 0.00 -1.73 0.00 0.00 68.15 69.89 1prq h THR 17 CO 0.48 0.52 -0.71 -1.10 -0.25 0.00 0.00 175.52 174.46 1prq s GLN 18 N -2.60 0.86 -0.03 4.72 -0.21 -1.18 -4.94 119.66 116.28 1prq s GLN 18 Ca -0.05 -1.27 -0.30 0.00 0.02 0.00 0.00 55.36 53.76 1prq s GLN 18 Cb 0.08 -0.39 0.11 0.00 1.00 0.00 0.00 33.01 33.81 1prq s GLN 18 CO 0.82 0.03 0.95 0.00 -2.12 0.00 0.00 175.29 174.98 1prq s ALA 19 N -3.06 -1.87 0.22 6.09 0.00 -1.26 -1.09 121.76 120.79 1prq s ALA 19 Ca 0.09 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 1prq s ALA 19 Cb 0.01 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1prq s ALA 19 CO -0.02 -0.69 0.49 0.00 0.00 0.00 0.00 175.76 175.54 1prq s ALA 20 N -2.99 -0.53 -0.12 0.00 0.00 -0.70 -0.96 121.76 116.47 1prq s ALA 20 Ca 0.06 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1prq s ALA 20 Cb -0.01 0.95 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1prq s ALA 20 CO -0.08 -0.83 -0.15 0.42 0.00 0.00 0.00 175.76 175.12 1prq s ILE 21 N -3.96 1.52 0.24 0.00 -1.09 0.42 -2.17 121.20 116.16 1prq s ILE 21 Ca 0.16 -0.64 0.11 0.00 -2.23 0.00 0.00 60.65 58.05 1prq s ILE 21 Cb -0.01 -1.40 -0.05 0.00 -1.58 0.00 0.00 42.46 39.43 1prq s ILE 21 CO 0.04 0.45 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.30 1prq s LEU 22 N 1.15 2.80 0.66 2.97 1.02 0.65 -0.14 118.68 127.78 1prq s LEU 22 Ca -0.03 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.32 1prq s LEU 22 Cb -0.14 -1.39 0.09 0.00 0.02 0.00 0.00 46.19 44.77 1prq s LEU 22 CO -0.04 0.06 0.91 -0.83 0.02 0.00 0.00 176.35 176.47 1prq s GLY 23 N -3.25 1.78 0.00 -3.19 0.00 -0.05 0.07 107.32 102.68 1prq s GLY 23 Ca 0.28 -1.60 0.11 0.00 0.00 0.00 0.00 44.72 43.51 1prq s GLY 23 CO 0.15 -1.13 1.26 1.04 0.00 0.00 0.00 173.10 174.42 1prq n LEU 24 N -2.65 0.00 0.05 0.66 4.77 -1.24 -1.83 117.00 116.75 1prq n LEU 24 Ca 0.13 0.29 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1prq n LEU 24 Cb 0.60 -0.29 0.27 0.00 -2.33 0.00 0.00 43.42 41.67 1prq n LEU 24 CO 0.43 -0.18 0.51 -0.90 -1.33 0.00 0.00 177.39 175.92 1prq n ASP 25 N -1.29 0.60 0.00 -1.43 5.68 -1.26 -4.88 116.55 113.96 1prq n ASP 25 Ca 0.05 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1prq n ASP 25 Cb 0.09 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1prq n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1prq n GLY 26 N 1.39 0.40 3.84 6.12 0.00 -0.76 -4.15 105.19 112.02 1prq n GLY 26 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1prq n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1prq s ASN 27 N -2.74 6.83 -0.10 1.61 0.01 -1.26 -4.03 114.94 115.25 1prq s ASN 27 Ca 0.00 1.47 -0.27 0.00 -0.71 0.00 0.00 52.86 53.35 1prq s ASN 27 Cb 0.00 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 1prq s ASN 27 CO 0.00 -0.31 0.90 -0.89 -1.51 0.00 0.00 177.10 175.29 1prq s THR 28 N -2.13 4.87 -0.25 1.60 2.01 -1.26 -0.87 115.64 119.61 1prq s THR 28 Ca 0.58 1.82 0.21 0.00 0.31 0.00 0.00 61.69 64.61 1prq s THR 28 Cb -0.10 -4.22 -0.30 0.00 0.01 0.00 0.00 72.50 67.90 1prq s THR 28 CO 0.17 0.07 0.56 0.79 -0.69 0.00 0.00 174.62 175.52 1prq n TRP 29 N 4.73 0.00 -3.59 4.92 8.01 0.80 -4.95 117.44 127.37 1prq n TRP 29 Ca 0.05 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.25 1prq n TRP 29 Cb 0.49 -0.37 -0.06 0.00 -2.01 0.00 0.00 31.31 29.37 1prq n TRP 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1prq s ALA 30 N -3.34 -2.58 0.06 6.99 0.00 -1.18 -4.59 121.76 117.13 1prq s ALA 30 Ca -0.04 2.06 0.02 0.00 0.00 0.00 0.00 51.96 54.00 1prq s ALA 30 Cb 0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1prq s ALA 30 CO 0.87 -0.44 -0.07 -0.08 0.00 0.00 0.00 175.76 176.03 1prq s THR 31 N 1.37 0.59 0.71 0.00 -1.32 -1.26 -0.44 115.64 115.30 1prq s THR 31 Ca -0.07 -1.43 -0.11 0.00 -1.21 0.00 0.00 61.69 58.87 1prq s THR 31 Cb -0.03 -1.04 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1prq s THR 31 CO -0.13 -0.58 1.07 -0.94 -2.21 0.00 0.00 174.62 171.82 1prq s SER 32 N -2.17 5.28 -0.39 8.08 1.04 -0.13 -4.89 113.70 120.52 1prq s SER 32 Ca -0.01 1.53 -0.42 0.00 0.48 0.00 0.00 55.95 57.53 1prq s SER 32 Cb -0.04 -2.39 -0.17 0.00 0.10 0.00 0.00 66.02 63.53 1prq s SER 32 CO -0.02 -1.49 1.87 0.00 0.98 0.00 0.00 173.24 174.58 1prq n ALA 33 N -3.15 -0.18 -0.27 5.32 0.00 -1.26 -0.38 120.51 120.59 1prq n ALA 33 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1prq n ALA 33 Cb 0.54 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1prq n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1prq n GLY 34 N 5.25 2.07 3.64 0.00 0.00 -1.26 -4.98 105.19 109.92 1prq n GLY 34 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1prq n GLY 34 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1prq s PHE 35 N -2.98 3.29 -0.23 1.61 5.36 0.49 -5.00 117.98 120.53 1prq s PHE 35 Ca 0.00 1.18 -0.00 0.00 -0.96 0.00 0.00 56.93 57.14 1prq s PHE 35 Cb 0.00 -3.16 0.06 0.00 -0.34 0.00 0.00 43.02 39.58 1prq s PHE 35 CO 0.00 -0.46 -0.02 0.00 -1.46 0.00 0.00 175.22 173.28 1prq s ALA 36 N 2.99 1.66 -0.39 11.12 0.00 -1.26 -4.52 121.76 131.37 1prq s ALA 36 Ca 0.37 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1prq s ALA 36 Cb -0.15 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1prq s ALA 36 CO 0.08 -1.21 0.45 0.08 0.00 0.00 0.00 175.76 175.15 1prq s VAL 37 N 1.54 5.08 0.52 0.00 1.01 -1.26 -3.92 120.40 123.36 1prq s VAL 37 Ca -0.03 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1prq s VAL 37 Cb -0.18 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1prq s VAL 37 CO -0.07 -0.31 1.21 0.42 0.00 0.00 0.00 175.10 176.35 1prq s THR 38 N 2.20 2.79 0.37 3.92 -4.23 -1.26 -4.76 115.64 114.68 1prq s THR 38 Ca 0.14 0.56 0.14 0.00 -1.18 0.00 0.00 61.69 61.35 1prq s THR 38 Cb -0.16 -3.27 0.36 0.00 1.34 0.00 0.00 72.50 70.77 1prq s THR 38 CO 0.13 -0.04 1.81 1.55 -0.54 0.00 0.00 174.62 177.53 1prq h PRO 39 N 1.58 0.51 -0.45 3.99 0.13 -1.97 0.18 132.00 135.97 1prq h PRO 39 Ca -0.50 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 1prq h PRO 39 Cb 1.27 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1prq h PRO 39 CO 0.58 0.34 -0.02 0.00 -0.23 0.00 0.00 178.00 178.67 1prq h ALA 40 N 1.62 0.60 -0.36 -0.56 0.00 -1.89 0.39 119.26 119.06 1prq h ALA 40 Ca 0.54 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1prq h ALA 40 Cb 1.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1prq h ALA 40 CO -0.28 0.42 -0.11 1.96 0.00 0.00 0.00 179.25 181.24 1prq h GLN 41 N 0.65 0.63 -0.18 0.00 4.20 -1.45 -0.17 115.11 118.78 1prq h GLN 41 Ca 0.12 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1prq h GLN 41 Cb 0.53 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1prq h GLN 41 CO 0.03 0.73 -0.03 0.78 -0.67 0.00 0.00 178.83 179.67 1prq h GLY 42 N 0.96 0.37 1.30 3.46 0.00 -0.25 -2.34 103.07 106.56 1prq h GLY 42 Ca 0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1prq h GLY 42 CO 0.03 0.27 0.08 -1.61 0.00 0.00 0.00 176.54 175.32 1prq h GLN 43 N 0.06 0.87 -0.48 4.80 4.15 -0.01 -1.06 115.11 123.44 1prq h GLN 43 Ca 0.05 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1prq h GLN 43 Cb 0.46 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1prq h GLN 43 CO 0.02 0.81 0.26 1.15 -1.93 0.00 0.00 178.83 179.14 1prq h THR 44 N 0.82 1.15 -0.03 2.39 2.02 -0.87 -1.98 112.91 116.41 1prq h THR 44 Ca 0.17 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.82 1prq h THR 44 Cb 0.37 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1prq h THR 44 CO 0.01 0.17 -0.56 0.25 0.37 0.00 0.00 175.52 175.75 1prq h LEU 45 N 0.67 0.54 -1.05 2.58 5.85 -1.04 -2.70 115.31 120.15 1prq h LEU 45 Ca 0.17 -0.73 0.04 0.00 0.84 0.00 0.00 57.88 58.20 1prq h LEU 45 Cb 0.02 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1prq h LEU 45 CO -0.03 1.19 0.64 0.00 -0.34 0.00 0.00 178.44 179.90 1prq h ALA 46 N 0.36 1.38 -0.01 1.25 0.00 -0.91 -1.99 119.26 119.34 1prq h ALA 46 Ca -0.06 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1prq h ALA 46 Cb 1.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1prq h ALA 46 CO 0.11 0.52 -0.88 0.77 0.00 0.00 0.00 179.25 179.77 1prq h SER 47 N 1.22 0.40 -0.47 0.00 0.02 -1.44 -3.07 113.55 110.21 1prq h SER 47 Ca 0.39 -0.32 0.14 0.00 -0.84 0.00 0.00 61.79 61.16 1prq h SER 47 Cb 0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1prq h SER 47 CO -0.12 1.10 0.36 0.00 -1.14 0.00 0.00 176.83 177.03 1prq h ALA 48 N 0.87 2.39 0.00 3.77 0.00 -1.02 0.49 119.26 125.76 1prq h ALA 48 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1prq h ALA 48 Cb 1.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1prq h ALA 48 CO 0.14 -0.60 0.00 0.74 0.00 0.00 0.00 179.25 179.53 1prq h PHE 49 N 0.00 0.00 0.00 0.00 0.04 -1.39 -2.26 116.94 113.32 1prq h PHE 49 Ca 0.22 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.70 1prq h PHE 49 Cb 0.94 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 1prq h PHE 49 CO 0.00 0.00 -1.92 0.09 -0.60 0.00 0.00 178.31 175.88 1prq n ASN 50 N -2.71 1.69 -3.80 2.17 3.02 0.14 -4.43 115.26 111.36 1prq n ASN 50 Ca -0.00 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 1prq n ASN 50 Cb 0.18 -0.69 -0.14 0.00 -0.61 0.00 0.00 39.78 38.53 1prq n ASN 50 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1prq s ASN 51 N -6.79 3.92 0.58 6.41 2.47 0.46 -4.96 114.94 117.02 1prq s ASN 51 Ca -0.31 -2.64 0.37 0.00 0.42 0.00 0.00 52.86 50.70 1prq s ASN 51 Cb 0.10 -1.22 1.69 0.00 -1.45 0.00 0.00 41.25 40.37 1prq s ASN 51 CO 0.40 -0.27 2.09 0.00 -3.72 0.00 0.00 177.10 175.60 1prq h ALA 52 N 6.81 1.00 -0.83 1.71 0.00 -1.63 -3.36 119.26 122.96 1prq h ALA 52 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1prq h ALA 52 Cb 0.93 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 1prq h ALA 52 CO 0.54 0.00 -0.32 -0.44 0.00 0.00 0.00 179.25 179.03 1prq h ASP 53 N 0.00 -1.17 0.07 0.00 5.19 -1.93 0.36 116.42 118.93 1prq h ASP 53 Ca 0.00 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1prq h ASP 53 Cb 0.34 0.64 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1prq h ASP 53 CO 0.00 -0.29 0.00 1.55 -3.12 0.00 0.00 179.24 177.38 1prq h PRO 54 N -0.05 0.00 0.00 3.56 0.13 -1.99 -2.92 132.00 130.73 1prq h PRO 54 Ca 0.33 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.35 1prq h PRO 54 Cb 0.59 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1prq h PRO 54 CO -0.87 0.00 -1.94 1.51 -0.23 0.00 0.00 178.00 176.47 1prq n ILE 55 N -2.59 0.53 -0.11 -3.56 0.13 0.12 -4.60 119.36 109.28 1prq n ILE 55 Ca -0.02 -0.62 -0.08 0.00 -1.10 0.00 0.00 62.75 60.94 1prq n ILE 55 Cb 0.07 -0.23 -0.00 0.00 -0.84 0.00 0.00 39.64 38.64 1prq n ILE 55 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 1prq h ARG 56 N 0.00 0.46 0.02 9.51 3.08 -1.28 0.62 114.38 126.79 1prq h ARG 56 Ca -0.16 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.63 1prq h ARG 56 Cb 1.38 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1prq h ARG 56 CO 0.01 0.30 -1.20 0.00 -1.07 0.00 0.00 179.97 178.02 1prq h ALA 57 N 1.15 0.41 -0.01 0.04 0.00 -1.82 -3.39 119.26 115.63 1prq h ALA 57 Ca 0.14 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1prq h ALA 57 Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1prq h ALA 57 CO -0.04 1.29 0.00 -1.13 0.00 0.00 0.00 179.25 179.36 1prq n SER 58 N -3.31 2.09 -0.19 0.00 3.41 -1.24 -5.06 113.62 109.32 1prq n SER 58 Ca -0.05 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1prq n SER 58 Cb 0.98 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1prq n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1prq n GLY 59 N -0.62 0.16 3.27 5.00 0.00 0.21 -4.95 105.19 108.26 1prq n GLY 59 Ca 0.03 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1prq n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1prq s PHE 60 N 0.00 -0.21 0.06 1.61 -0.71 -0.54 -4.69 117.98 113.51 1prq s PHE 60 Ca 0.00 0.26 -0.13 0.00 -1.04 0.00 0.00 56.93 56.02 1prq s PHE 60 Cb 0.00 0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.88 1prq s PHE 60 CO 0.00 -0.45 0.43 -0.51 -1.34 0.00 0.00 175.22 173.35 1prq s ASP 61 N -1.56 6.76 -0.24 1.98 1.11 -1.26 -0.80 116.67 122.66 1prq s ASP 61 Ca -0.10 0.93 -0.02 0.00 0.18 0.00 0.00 52.55 53.53 1prq s ASP 61 Cb -0.03 -2.23 0.12 0.00 1.07 0.00 0.00 42.92 41.84 1prq s ASP 61 CO 0.02 0.23 0.31 -0.22 1.18 0.00 0.00 175.17 176.69 1prq s LEU 62 N -1.53 -0.38 -1.30 1.23 2.96 0.28 -4.84 118.68 115.09 1prq s LEU 62 Ca 0.30 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1prq s LEU 62 Cb -0.15 0.74 -0.00 0.00 0.50 0.00 0.00 46.19 47.27 1prq s LEU 62 CO 0.16 -0.33 0.68 0.00 -1.32 0.00 0.00 176.35 175.55 1prq n ALA 63 N 5.34 -2.05 -1.00 5.97 0.00 -1.25 -1.93 120.51 125.58 1prq n ALA 63 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1prq n ALA 63 Cb 0.49 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1prq n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1prq n GLY 64 N -1.60 0.75 3.11 0.00 0.00 -1.26 -4.92 105.19 101.27 1prq n GLY 64 Ca -0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1prq n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1prq s VAL 65 N -3.02 1.45 -0.18 1.61 1.01 -0.81 -5.12 120.40 115.33 1prq s VAL 65 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1prq s VAL 65 Cb 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1prq s VAL 65 CO 0.00 0.42 0.21 -2.28 0.00 0.00 0.00 175.10 173.46 1prq s HIS 66 N 0.39 3.44 0.07 5.22 2.46 -1.26 -0.56 115.29 125.05 1prq s HIS 66 Ca -0.12 0.47 0.08 0.00 0.47 0.00 0.00 55.06 55.96 1prq s HIS 66 Cb -0.15 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.02 1prq s HIS 66 CO 0.04 0.27 -0.18 0.71 -2.47 0.00 0.00 174.74 173.12 1prq s TYR 67 N 0.39 2.56 -0.01 3.88 2.02 0.02 -4.73 117.35 121.48 1prq s TYR 67 Ca 0.12 -0.25 -0.15 0.00 -0.37 0.00 0.00 57.07 56.42 1prq s TYR 67 Cb -0.12 -1.42 -0.06 0.00 -0.40 0.00 0.00 41.96 39.97 1prq s TYR 67 CO 0.01 0.31 0.42 0.14 -1.57 0.00 0.00 175.55 174.86 1prq s VAL 68 N -1.02 5.03 -0.22 0.71 -7.23 -0.09 -1.46 120.40 116.13 1prq s VAL 68 Ca 0.16 0.86 -0.29 0.00 -1.81 0.00 0.00 61.98 60.90 1prq s VAL 68 Cb -0.11 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 1prq s VAL 68 CO 0.07 0.55 1.39 -0.89 -0.31 0.00 0.00 175.10 175.92 1prq s THR 69 N -0.88 4.03 -0.18 5.32 2.01 -1.26 -1.36 115.64 123.32 1prq s THR 69 Ca 0.24 1.20 -0.23 0.00 0.31 0.00 0.00 61.69 63.21 1prq s THR 69 Cb -0.17 -3.94 -0.20 0.00 0.01 0.00 0.00 72.50 68.20 1prq s THR 69 CO 0.13 -0.29 0.40 -0.07 -0.69 0.00 0.00 174.62 174.10 1prq h LEU 70 N 10.65 0.00 -7.65 4.42 3.38 -0.55 -3.48 115.31 122.08 1prq h LEU 70 Ca -0.29 -0.65 -0.14 0.00 0.09 0.00 0.00 57.88 56.89 1prq h LEU 70 Cb 1.12 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.66 1prq h LEU 70 CO 1.00 1.24 -0.42 0.00 0.09 0.00 0.00 178.44 180.34 1prq s ARG 71 N -2.27 0.51 -0.17 1.13 1.70 -1.09 -5.01 118.95 113.75 1prq s ARG 71 Ca -0.23 -0.25 -0.09 0.00 -0.47 0.00 0.00 55.73 54.69 1prq s ARG 71 Cb 0.02 0.22 0.06 0.00 -0.57 0.00 0.00 34.95 34.68 1prq s ARG 71 CO 0.59 -0.12 0.40 0.00 -1.08 0.00 0.00 175.30 175.09 1prq s ALA 72 N -1.17 -1.03 0.00 7.88 0.00 -1.26 -0.97 121.76 125.21 1prq s ALA 72 Ca -0.12 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1prq s ALA 72 Cb -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1prq s ALA 72 CO 0.02 -0.30 0.00 -0.40 0.00 0.00 0.00 175.76 175.08 1prq n ASP 73 N 4.36 0.00 0.15 0.00 5.68 -0.84 -5.01 116.55 120.89 1prq n ASP 73 Ca -0.22 -0.38 0.13 0.00 -0.50 0.00 0.00 54.79 53.82 1prq n ASP 73 Cb 0.55 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.03 1prq n ASP 73 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1prq h ASP 74 N 0.00 0.00 0.00 -1.12 2.03 -1.94 -3.37 116.42 112.02 1prq h ASP 74 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1prq h ASP 74 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1prq h ASP 74 CO 0.00 0.00 -1.45 -1.14 -1.03 0.00 0.00 179.24 175.62 1prq n ARG 75 N -2.40 0.18 -4.26 4.15 0.63 -1.26 -4.82 116.66 108.88 1prq n ARG 75 Ca 0.02 0.08 -0.21 0.00 -0.92 0.00 0.00 57.85 56.82 1prq n ARG 75 Cb 0.28 -0.80 -0.12 0.00 0.45 0.00 0.00 32.46 32.26 1prq n ARG 75 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1prq s SER 76 N -5.77 2.30 -0.14 6.15 0.01 -1.26 -0.71 113.70 114.28 1prq s SER 76 Ca -0.12 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.41 1prq s SER 76 Cb 0.05 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.20 1prq s SER 76 CO 0.15 -0.02 -0.05 -0.63 0.41 0.00 0.00 173.24 173.10 1prq s ILE 77 N -1.53 0.97 -0.12 1.44 1.01 0.16 -1.98 121.20 121.15 1prq s ILE 77 Ca 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1prq s ILE 77 Cb -0.08 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1prq s ILE 77 CO 0.04 0.21 -0.07 -0.31 0.00 0.00 0.00 174.94 174.81 1prq s TYR 78 N 1.71 2.94 0.25 3.97 1.51 -0.14 -1.51 117.35 126.08 1prq s TYR 78 Ca 0.03 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1prq s TYR 78 Cb -0.14 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1prq s TYR 78 CO -0.08 0.06 0.14 0.20 -1.11 0.00 0.00 175.55 174.77 1prq s GLY 79 N -0.06 1.73 0.21 0.71 0.00 -1.10 0.23 107.32 109.04 1prq s GLY 79 Ca 0.00 -1.79 -0.22 0.00 0.00 0.00 0.00 44.72 42.72 1prq s GLY 79 CO 0.03 -1.49 0.64 -1.59 0.00 0.00 0.00 173.10 170.69 1prq s LYS 80 N -3.99 1.49 -0.37 2.90 -2.85 -0.46 -2.77 119.74 113.68 1prq s LYS 80 Ca 0.38 -0.72 0.04 0.00 -1.00 0.00 0.00 55.97 54.67 1prq s LYS 80 Cb 0.06 0.59 0.16 0.00 -2.06 0.00 0.00 37.83 36.58 1prq s LYS 80 CO 0.15 -0.66 0.41 0.21 0.10 0.00 0.00 175.35 175.56 1prq s LYS 81 N -3.83 0.66 7.76 1.78 2.20 -0.60 -0.91 119.74 126.80 1prq s LYS 81 Ca 0.06 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1prq s LYS 81 Cb -0.03 -0.61 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 1prq s LYS 81 CO -0.04 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 1prq n GLY 82 N 4.30 2.94 0.92 5.54 0.00 -1.26 -1.94 105.19 115.69 1prq n GLY 82 Ca 0.11 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1prq n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1prq n SER 83 N 8.33 2.77 -4.98 1.61 7.64 -1.26 -4.91 113.62 122.82 1prq n SER 83 Ca 0.00 -1.89 -0.19 0.00 1.01 0.00 0.00 58.87 57.80 1prq n SER 83 Cb 0.00 -0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.08 1prq n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1prq s ALA 84 N -1.71 4.21 -0.01 -0.43 0.00 -0.82 -3.32 121.76 119.68 1prq s ALA 84 Ca 0.35 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1prq s ALA 84 Cb 0.21 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.52 1prq s ALA 84 CO 0.30 -0.57 0.48 0.41 0.00 0.00 0.00 175.76 176.39 1prq n GLY 85 N -2.14 0.47 3.43 0.00 0.00 -1.10 -1.55 105.19 104.29 1prq n GLY 85 Ca 0.09 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1prq n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1prq s VAL 86 N -2.10 0.01 -0.13 1.61 0.11 -1.12 -1.35 120.40 117.45 1prq s VAL 86 Ca 0.11 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1prq s VAL 86 Cb -0.00 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1prq s VAL 86 CO -0.00 -0.07 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.87 1prq s ILE 87 N -0.68 1.87 -0.14 7.04 1.09 0.07 -2.70 121.20 127.76 1prq s ILE 87 Ca -0.08 -0.87 0.02 0.00 -1.10 0.00 0.00 60.65 58.62 1prq s ILE 87 Cb -0.03 -1.67 0.02 0.00 -1.06 0.00 0.00 42.46 39.72 1prq s ILE 87 CO 0.05 0.51 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.33 1prq s THR 88 N 0.88 1.86 -0.04 2.92 2.01 -0.57 -0.59 115.64 122.12 1prq s THR 88 Ca -0.07 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1prq s THR 88 Cb -0.15 -1.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.68 1prq s THR 88 CO -0.02 0.51 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.59 1prq s VAL 89 N 1.06 1.16 -0.12 3.82 1.01 -0.19 -0.67 120.40 126.47 1prq s VAL 89 Ca -0.02 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1prq s VAL 89 Cb -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1prq s VAL 89 CO -0.06 0.34 0.24 -0.75 0.00 0.00 0.00 175.10 174.87 1prq s LYS 90 N 0.10 3.87 0.00 2.72 2.20 0.11 -0.33 119.74 128.41 1prq s LYS 90 Ca -0.03 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1prq s LYS 90 Cb -0.10 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1prq s LYS 90 CO 0.01 0.55 0.00 0.25 -0.36 0.00 0.00 175.35 175.80 1prq n THR 91 N 2.59 0.00 0.15 3.43 -2.24 -0.17 -4.91 114.28 113.14 1prq n THR 91 Ca -0.16 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1prq n THR 91 Cb 0.53 -0.40 0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1prq n THR 91 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1prq h SER 92 N 0.00 0.00 0.00 3.42 0.02 -1.65 -3.39 113.55 111.95 1prq h SER 92 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1prq h SER 92 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1prq h SER 92 CO 0.00 0.46 0.00 0.29 -1.14 0.00 0.00 176.83 176.44 1prq n LYS 93 N -3.26 1.52 -4.35 3.45 5.02 -0.31 -5.03 118.16 115.20 1prq n LYS 93 Ca 0.02 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 1prq n LYS 93 Cb 0.69 -0.18 -0.07 0.00 -0.02 0.00 0.00 35.03 35.45 1prq n LYS 93 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1prq n SER 94 N -0.22 0.76 -3.80 4.39 3.41 -1.23 -3.61 113.62 113.32 1prq n SER 94 Ca 0.00 -3.17 -0.24 0.00 -0.26 0.00 0.00 58.87 55.21 1prq n SER 94 Cb 0.02 1.18 -0.17 0.00 -0.26 0.00 0.00 64.21 64.98 1prq n SER 94 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1prq s ILE 95 N -3.14 0.51 -0.23 -1.33 1.01 0.11 -1.00 121.20 117.12 1prq s ILE 95 Ca 0.25 0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 1prq s ILE 95 Cb 0.01 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1prq s ILE 95 CO 0.18 0.28 0.33 -0.76 0.00 0.00 0.00 174.94 174.97 1prq s LEU 96 N 1.91 4.11 -0.23 2.97 1.43 0.55 -0.25 118.68 129.17 1prq s LEU 96 Ca 0.05 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1prq s LEU 96 Cb -0.12 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1prq s LEU 96 CO -0.06 -0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.74 1prq s VAL 97 N 1.47 3.49 -0.21 -1.59 1.01 -0.92 -1.03 120.40 122.61 1prq s VAL 97 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1prq s VAL 97 Cb -0.15 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1prq s VAL 97 CO 0.08 0.40 -0.06 -0.83 0.00 0.00 0.00 175.10 174.69 1prq s GLY 98 N 1.49 1.21 -0.01 4.51 0.00 0.24 -1.71 107.32 113.06 1prq s GLY 98 Ca 0.06 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 43.48 1prq s GLY 98 CO -0.02 0.89 0.28 0.14 0.00 0.00 0.00 173.10 174.39 1prq s VAL 99 N 1.45 5.27 0.31 1.40 1.01 -0.25 -0.75 120.40 128.83 1prq s VAL 99 Ca -0.04 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1prq s VAL 99 Cb -0.18 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1prq s VAL 99 CO -0.07 0.43 0.10 -0.72 0.00 0.00 0.00 175.10 174.85 1prq s TYR 100 N -1.23 1.70 0.24 5.22 -0.85 -0.46 -0.48 117.35 121.50 1prq s TYR 100 Ca 0.25 -1.17 0.02 0.00 -0.52 0.00 0.00 57.07 55.66 1prq s TYR 100 Cb -0.14 -1.04 -0.01 0.00 0.38 0.00 0.00 41.96 41.16 1prq s TYR 100 CO 0.14 -0.27 0.07 0.27 -1.52 0.00 0.00 175.55 174.24 1prq n ASN 101 N -0.73 1.30 0.00 -0.18 6.94 -1.26 -2.71 115.26 118.62 1prq n ASN 101 Ca -0.01 -2.26 0.00 0.00 -0.02 0.00 0.00 54.58 52.29 1prq n ASN 101 Cb 0.66 0.55 0.01 0.00 -2.36 0.00 0.00 39.78 38.65 1prq n ASN 101 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1prq n GLU 102 N -0.55 0.01 0.00 -3.83 0.00 -1.21 -1.53 120.64 113.52 1prq n GLU 102 Ca -0.04 0.25 0.11 0.00 0.00 0.00 0.00 57.16 57.48 1prq n GLU 102 Cb 0.36 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.36 1prq n GLU 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1prq n LYS 103 N -1.25 1.89 -5.09 3.44 4.01 -1.26 -4.90 118.16 115.00 1prq n LYS 103 Ca 0.00 -1.58 -0.32 0.00 -0.51 0.00 0.00 58.31 55.90 1prq n LYS 103 Cb 0.00 -1.44 -0.15 0.00 -0.51 0.00 0.00 35.03 32.93 1prq n LYS 103 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1prq s ILE 104 N -2.06 2.49 -0.06 -0.18 -1.09 -0.59 -5.09 121.20 114.63 1prq s ILE 104 Ca 0.24 -0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 1prq s ILE 104 Cb 0.18 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1prq s ILE 104 CO 0.37 0.57 1.34 -1.58 -1.23 0.00 0.00 174.94 174.41 1prq s GLN 105 N -0.23 4.28 0.36 2.79 -0.44 -1.26 -4.75 119.66 120.42 1prq s GLN 105 Ca -0.01 1.85 0.09 0.00 -2.50 0.00 0.00 55.36 54.79 1prq s GLN 105 Cb -0.13 -3.65 0.83 0.00 -1.64 0.00 0.00 33.01 28.42 1prq s GLN 105 CO 0.03 -0.60 1.89 -1.35 0.50 0.00 0.00 175.29 175.76 1prq h PRO 106 N 7.99 0.65 -0.47 1.67 0.11 -1.94 -2.19 132.00 137.83 1prq h PRO 106 Ca -0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 1prq h PRO 106 Cb 1.16 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1prq h PRO 106 CO 0.92 0.43 0.18 0.78 -0.21 0.00 0.00 178.00 180.10 1prq h GLY 107 N 0.67 0.72 1.13 -0.55 0.00 -1.99 -0.48 103.07 102.57 1prq h GLY 107 Ca 0.42 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1prq h GLY 107 CO -0.18 0.34 -0.14 -0.84 0.00 0.00 0.00 176.54 175.72 1prq h THR 108 N 0.67 1.27 -0.07 4.70 2.02 -1.80 -1.81 112.91 117.89 1prq h THR 108 Ca 0.16 -1.30 -0.20 0.00 0.77 0.00 0.00 66.41 65.84 1prq h THR 108 Cb 0.14 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1prq h THR 108 CO -0.02 0.46 -0.80 0.00 0.37 0.00 0.00 175.52 175.53 1prq h ALA 109 N 0.94 0.47 -0.40 6.16 0.00 -1.20 -3.01 119.26 122.21 1prq h ALA 109 Ca 0.13 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1prq h ALA 109 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1prq h ALA 109 CO 0.05 0.76 -0.22 0.00 0.00 0.00 0.00 179.25 179.84 1prq h ALA 110 N 0.80 0.85 -0.21 0.00 0.00 -1.01 -1.74 119.26 117.94 1prq h ALA 110 Ca -0.05 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1prq h ALA 110 Cb 1.41 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1prq h ALA 110 CO 0.14 0.64 -0.08 -0.97 0.00 0.00 0.00 179.25 178.98 1prq h ASN 111 N 0.70 -0.28 0.08 0.00 -1.24 -1.29 -1.01 115.58 112.54 1prq h ASN 111 Ca 0.10 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1prq h ASN 111 Cb 0.75 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.96 1prq h ASN 111 CO 0.06 -0.11 -0.04 0.58 -1.29 0.00 0.00 177.43 176.64 1prq h VAL 112 N -0.05 1.13 0.55 2.57 2.07 -1.38 -2.63 116.25 118.51 1prq h VAL 112 Ca 0.11 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1prq h VAL 112 Cb 0.21 1.62 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1prq h VAL 112 CO -0.24 0.19 -0.26 0.58 0.02 0.00 0.00 177.57 177.85 1prq h VAL 113 N -0.44 0.44 -0.43 2.57 2.07 -1.20 -1.66 116.25 117.60 1prq h VAL 113 Ca -0.01 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1prq h VAL 113 Cb 0.38 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1prq h VAL 113 CO 0.02 0.02 0.30 -0.33 0.02 0.00 0.00 177.57 177.60 1prq h GLU 114 N -0.83 0.11 0.00 1.57 4.39 -1.31 -1.47 114.58 117.04 1prq h GLU 114 Ca -0.08 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.42 1prq h GLU 114 Cb 0.60 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1prq h GLU 114 CO 0.12 0.07 -1.17 0.87 -1.16 0.00 0.00 179.01 177.74 1prq h LYS 115 N 0.11 0.00 -0.18 2.33 1.57 -1.36 -1.88 116.57 117.16 1prq h LYS 115 Ca 0.20 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.79 1prq h LYS 115 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1prq h LYS 115 CO -0.02 0.57 -0.66 1.25 -0.57 0.00 0.00 179.45 180.02 1prq h LEU 116 N 0.00 0.78 -0.47 2.94 6.46 -0.72 -1.74 115.31 122.56 1prq h LEU 116 Ca -0.12 -0.46 0.01 0.00 -0.12 0.00 0.00 57.88 57.19 1prq h LEU 116 Cb 1.69 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.37 1prq h LEU 116 CO 0.08 1.23 0.29 0.00 -0.62 0.00 0.00 178.44 179.42 1prq h ALA 117 N 0.77 0.59 -0.59 1.25 0.00 -1.33 0.59 119.26 120.55 1prq h ALA 117 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1prq h ALA 117 Cb 1.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1prq h ALA 117 CO 0.13 -0.01 0.32 -0.44 0.00 0.00 0.00 179.25 179.26 1prq h ASP 118 N 0.58 0.72 -0.33 0.00 3.32 -1.04 -0.60 116.42 119.07 1prq h ASP 118 Ca 0.18 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1prq h ASP 118 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1prq h ASP 118 CO -0.07 0.58 -0.04 0.22 -1.72 0.00 0.00 179.24 178.22 1prq h TYR 119 N 0.82 0.67 -0.17 4.55 3.20 -0.39 -2.05 116.97 123.59 1prq h TYR 119 Ca 0.21 -0.13 -0.17 0.00 3.14 0.00 0.00 58.73 61.78 1prq h TYR 119 Cb 0.02 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1prq h TYR 119 CO 0.00 0.75 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.60 1prq h LEU 120 N 0.40 0.66 -1.22 2.82 3.38 -0.53 -2.24 115.31 118.57 1prq h LEU 120 Ca 0.09 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1prq h LEU 120 Cb 0.51 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1prq h LEU 120 CO 0.02 1.11 0.54 0.40 0.09 0.00 0.00 178.44 180.60 1prq h ILE 121 N 0.43 1.15 0.00 1.22 2.04 -1.06 0.19 117.51 121.48 1prq h ILE 121 Ca -0.00 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1prq h ILE 121 Cb 1.17 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1prq h ILE 121 CO 0.11 0.19 -0.19 1.23 0.00 0.00 0.00 178.15 179.50 1prq h GLY 122 N 1.03 0.00 0.10 5.37 0.00 -1.05 -0.31 103.07 108.20 1prq h GLY 122 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1prq h GLY 122 CO -0.09 0.00 -0.04 -1.06 0.00 0.00 0.00 176.54 175.35 1prq n GLN 123 N -4.31 1.31 -0.54 4.80 1.13 0.37 -4.91 117.38 115.25 1prq n GLN 123 Ca -0.02 -0.62 0.00 0.00 -1.94 0.00 0.00 57.00 54.42 1prq n GLN 123 Cb 0.25 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1prq n GLN 123 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1prq n GLY 124 N 1.17 0.87 0.28 1.08 0.00 -0.13 -5.08 105.19 103.39 1prq n GLY 124 Ca 0.19 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.79 1prq n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01