#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdd h LYS 10 N 0.00 0.88 -0.12 -0.67 2.10 -2.03 0.12 116.57 116.84 1gdd h LYS 10 Ca 0.00 -0.18 -0.10 0.00 -2.00 0.00 0.00 60.65 58.37 1gdd h LYS 10 Cb 0.00 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.19 1gdd h LYS 10 CO 0.00 0.78 -0.39 0.00 -2.00 0.00 0.00 179.45 177.84 1gdd h ALA 11 N 1.06 1.13 0.48 0.07 0.00 -1.97 0.30 119.26 120.32 1gdd h ALA 11 Ca 0.19 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1gdd h ALA 11 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gdd h ALA 11 CO -0.01 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.59 1gdd h ALA 12 N 1.38 -0.64 -0.67 0.00 0.00 -1.88 0.44 119.26 117.90 1gdd h ALA 12 Ca 0.02 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1gdd h ALA 12 Cb 0.78 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1gdd h ALA 12 CO 0.06 -0.81 0.37 0.28 0.00 0.00 0.00 179.25 179.15 1gdd h VAL 13 N -0.74 0.96 -0.51 0.00 2.07 -0.55 -1.27 116.25 116.20 1gdd h VAL 13 Ca -0.07 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1gdd h VAL 13 Cb 0.54 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1gdd h VAL 13 CO 0.11 0.12 0.23 -0.33 0.02 0.00 0.00 177.57 177.72 1gdd h GLU 14 N 0.68 0.43 -0.54 1.57 4.39 0.34 -1.75 114.58 119.71 1gdd h GLU 14 Ca 0.30 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.92 1gdd h GLU 14 Cb 0.20 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1gdd h GLU 14 CO -0.19 0.29 0.10 0.00 -1.16 0.00 0.00 179.01 178.04 1gdd h ARG 15 N 0.45 0.88 0.00 2.33 3.08 0.33 -3.14 114.38 118.31 1gdd h ARG 15 Ca 0.23 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gdd h ARG 15 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1gdd h ARG 15 CO -0.19 0.85 0.03 0.43 -1.07 0.00 0.00 179.97 180.02 1gdd n SER 16 N -4.38 0.24 -0.93 7.04 7.64 -0.52 -2.17 113.62 120.53 1gdd n SER 16 Ca 0.02 0.59 0.11 0.00 1.01 0.00 0.00 58.87 60.60 1gdd n SER 16 Cb 0.26 -0.62 0.27 0.00 -1.01 0.00 0.00 64.21 63.11 1gdd n SER 16 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1gdd n LYS 17 N -1.81 2.20 -2.84 1.43 2.85 -1.17 -4.92 118.16 113.90 1gdd n LYS 17 Ca -0.01 -1.83 -0.32 0.00 -1.05 0.00 0.00 58.31 55.10 1gdd n LYS 17 Cb 0.04 -1.45 -0.06 0.00 -0.65 0.00 0.00 35.03 32.91 1gdd n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1gdd s MET 18 N -1.52 4.07 0.00 -1.58 -1.94 -0.92 -4.95 119.30 112.45 1gdd s MET 18 Ca 0.36 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 1gdd s MET 18 Cb 0.20 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.77 1gdd s MET 18 CO 0.28 -0.02 0.35 0.44 -0.01 0.00 0.00 175.02 176.06 1gdd n ILE 19 N -0.79 0.11 -0.07 2.53 -5.35 -1.26 -4.87 119.36 109.65 1gdd n ILE 19 Ca 0.05 -0.27 -0.02 0.00 -0.27 0.00 0.00 62.75 62.24 1gdd n ILE 19 Cb 0.54 1.36 0.22 0.00 -1.74 0.00 0.00 39.64 40.02 1gdd n ILE 19 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1gdd h ASP 20 N 0.00 0.66 0.11 7.28 2.03 -2.00 -2.64 116.42 121.85 1gdd h ASP 20 Ca 0.00 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1gdd h ASP 20 Cb 0.41 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1gdd h ASP 20 CO 0.00 0.71 0.00 0.03 -1.03 0.00 0.00 179.24 178.95 1gdd h ARG 21 N 0.66 0.00 0.00 4.15 3.08 -1.89 -0.62 114.38 119.76 1gdd h ARG 21 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1gdd h ARG 21 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1gdd h ARG 21 CO 0.01 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.00 1gdd n ASN 22 N -2.93 0.62 0.03 7.04 3.02 -1.00 -2.28 115.26 119.77 1gdd n ASN 22 Ca -0.02 0.62 0.12 0.00 -0.03 0.00 0.00 54.58 55.27 1gdd n ASN 22 Cb 0.09 -0.76 0.28 0.00 -0.61 0.00 0.00 39.78 38.78 1gdd n ASN 22 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gdd n LEU 23 N -2.14 0.51 -4.65 3.41 7.99 -0.24 -4.78 117.00 117.10 1gdd n LEU 23 Ca 0.04 0.18 -0.35 0.00 -0.01 0.00 0.00 56.01 55.87 1gdd n LEU 23 Cb 0.29 -0.27 -0.09 0.00 -0.11 0.00 0.00 43.42 43.24 1gdd n LEU 23 CO 0.23 0.03 -0.25 -0.13 -1.51 0.00 0.00 177.39 175.76 1gdd s ARG 24 N -3.07 3.91 0.26 3.23 0.52 -0.96 -5.01 118.95 117.83 1gdd s ARG 24 Ca 0.10 -0.33 -0.10 0.00 -0.52 0.00 0.00 55.73 54.87 1gdd s ARG 24 Cb 0.16 -3.20 0.39 0.00 0.52 0.00 0.00 34.95 32.82 1gdd s ARG 24 CO 0.68 0.32 1.58 1.49 0.02 0.00 0.00 175.30 179.39 1gdd h GLU 25 N 6.52 -0.00 -2.22 3.54 4.81 -1.86 -1.72 114.58 123.65 1gdd h GLU 25 Ca -0.39 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.26 1gdd h GLU 25 Cb 1.17 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.13 1gdd h GLU 25 CO 0.69 -0.00 -0.71 -0.25 -0.73 0.00 0.00 179.01 178.02 1gdd n ASP 26 N -5.57 3.76 0.17 1.04 8.00 -1.26 -4.93 116.55 117.76 1gdd n ASP 26 Ca 0.13 -3.52 0.03 0.00 0.71 0.00 0.00 54.79 52.14 1gdd n ASP 26 Cb 0.45 -0.60 0.30 0.00 -0.02 0.00 0.00 41.12 41.25 1gdd n ASP 26 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1gdd h GLY 27 N 3.30 0.00 1.63 0.44 0.00 -1.31 -2.70 103.07 104.43 1gdd h GLY 27 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1gdd h GLY 27 CO 0.78 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.50 1gdd n GLU 28 N -3.78 0.21 0.00 4.80 -0.58 -1.26 -0.78 120.64 119.25 1gdd n GLU 28 Ca -0.01 0.14 0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1gdd n GLU 28 Cb 0.51 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.92 1gdd n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1gdd n LYS 29 N -1.32 1.58 -1.48 3.49 5.02 -1.02 -5.00 118.16 119.44 1gdd n LYS 29 Ca 0.08 -1.26 -0.31 0.00 -2.02 0.00 0.00 58.31 54.80 1gdd n LYS 29 Cb 0.15 -1.34 0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1gdd n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gdd s ALA 30 N -1.78 2.54 -0.29 7.82 0.00 0.04 -5.02 121.76 125.08 1gdd s ALA 30 Ca 0.18 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 1gdd s ALA 30 Cb 0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1gdd s ALA 30 CO 0.33 -1.39 0.35 0.00 0.00 0.00 0.00 175.76 175.05 1gdd s ALA 31 N -2.98 3.54 -0.05 0.00 0.00 0.22 -4.86 121.76 117.63 1gdd s ALA 31 Ca 0.59 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 51.36 1gdd s ALA 31 Cb -0.15 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1gdd s ALA 31 CO 0.55 -0.74 0.79 0.50 0.00 0.00 0.00 175.76 176.86 1gdd s ARG 32 N 2.02 4.47 -0.08 0.00 6.06 -1.26 -0.39 118.95 129.77 1gdd s ARG 32 Ca 0.13 1.05 0.01 0.00 -2.50 0.00 0.00 55.73 54.42 1gdd s ARG 32 Cb -0.16 -3.45 -0.03 0.00 0.06 0.00 0.00 34.95 31.37 1gdd s ARG 32 CO 0.11 0.02 -0.10 -1.21 -2.50 0.00 0.00 175.30 171.62 1gdd s GLU 33 N 0.89 2.91 -0.23 5.12 2.02 -0.32 -1.03 118.70 128.05 1gdd s GLU 33 Ca 0.42 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.81 1gdd s GLU 33 Cb -0.19 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.50 1gdd s GLU 33 CO 0.21 0.52 -0.13 0.08 0.02 0.00 0.00 175.26 175.96 1gdd s VAL 34 N -0.43 2.34 -0.30 2.63 1.01 -0.42 -4.06 120.40 121.17 1gdd s VAL 34 Ca 0.06 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 1gdd s VAL 34 Cb -0.12 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1gdd s VAL 34 CO 0.02 0.24 0.38 -0.75 0.00 0.00 0.00 175.10 174.99 1gdd s LYS 35 N 1.23 3.81 -0.17 2.72 2.20 -1.26 -0.18 119.74 128.09 1gdd s LYS 35 Ca -0.01 -0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1gdd s LYS 35 Cb -0.17 -3.73 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1gdd s LYS 35 CO -0.08 -0.40 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.19 1gdd s LEU 36 N 2.07 1.94 -0.17 5.43 2.96 0.11 0.21 118.68 131.23 1gdd s LEU 36 Ca 0.14 -0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 1gdd s LEU 36 Cb -0.16 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 1gdd s LEU 36 CO 0.11 -0.06 0.38 -0.22 -1.32 0.00 0.00 176.35 175.24 1gdd s LEU 37 N 1.41 4.21 -0.21 -0.68 2.96 -0.85 -0.30 118.68 125.22 1gdd s LEU 37 Ca 0.04 0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 54.44 1gdd s LEU 37 Cb -0.14 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1gdd s LEU 37 CO -0.11 -0.01 0.09 -0.22 -1.32 0.00 0.00 176.35 174.78 1gdd s LEU 38 N 0.92 3.80 0.25 -0.68 2.96 0.41 -1.32 118.68 125.02 1gdd s LEU 38 Ca 0.20 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1gdd s LEU 38 Cb -0.14 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1gdd s LEU 38 CO 0.07 0.11 0.14 -0.76 -1.32 0.00 0.00 176.35 174.59 1gdd s LEU 39 N 0.77 1.45 0.00 -0.68 1.43 0.48 -3.35 118.68 118.78 1gdd s LEU 39 Ca 0.04 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 1gdd s LEU 39 Cb -0.13 0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.35 1gdd s LEU 39 CO 0.02 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1gdd n GLY 40 N -0.42 4.07 3.43 -3.19 0.00 -1.26 0.95 105.19 108.77 1gdd n GLY 40 Ca 0.02 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1gdd n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdd s ALA 41 N -2.07 -0.68 0.72 4.61 0.00 -1.24 -4.91 121.76 118.19 1gdd s ALA 41 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 1gdd s ALA 41 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1gdd s ALA 41 CO 0.00 -4.12 1.22 0.20 0.00 0.00 0.00 175.76 173.06 1gdd s GLY 42 N -2.65 2.41 -0.96 0.00 0.00 -1.26 -2.54 107.32 102.33 1gdd s GLY 42 Ca 0.69 0.92 0.00 0.00 0.00 0.00 0.00 44.72 46.33 1gdd s GLY 42 CO 0.63 1.34 0.00 -2.21 0.00 0.00 0.00 173.10 172.86 1gdd n GLU 43 N -2.61 -2.22 0.00 2.90 2.13 -1.26 -4.85 120.64 114.72 1gdd n GLU 43 Ca 0.14 0.54 0.13 0.00 0.66 0.00 0.00 57.16 58.63 1gdd n GLU 43 Cb 0.50 -5.10 0.28 0.00 0.27 0.00 0.00 31.44 27.39 1gdd n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1gdd n SER 44 N -1.64 1.97 0.00 4.31 3.41 -1.05 -4.86 113.62 115.76 1gdd n SER 44 Ca -0.13 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1gdd n SER 44 Cb 0.58 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1gdd n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gdd n GLY 45 N 1.30 1.09 0.15 5.00 0.00 -1.26 -4.36 105.19 107.11 1gdd n GLY 45 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1gdd n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gdd h LYS 46 N 1.20 0.34 -0.07 1.61 1.57 -1.92 -1.43 116.57 117.86 1gdd h LYS 46 Ca 0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1gdd h LYS 46 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1gdd h LYS 46 CO 0.00 0.22 -0.29 0.77 -0.57 0.00 0.00 179.45 179.58 1gdd h SER 47 N 0.35 0.13 0.23 0.86 0.02 -1.99 -1.63 113.55 111.52 1gdd h SER 47 Ca 0.13 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1gdd h SER 47 Cb 0.04 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1gdd h SER 47 CO -0.09 0.43 -0.57 0.74 -1.14 0.00 0.00 176.83 176.20 1gdd h THR 48 N 0.12 1.36 -0.46 -2.27 2.02 -1.76 -1.22 112.91 110.69 1gdd h THR 48 Ca 0.02 -1.87 -0.10 0.00 0.77 0.00 0.00 66.41 65.22 1gdd h THR 48 Cb 0.59 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1gdd h THR 48 CO 0.04 0.56 -0.10 0.40 0.37 0.00 0.00 175.52 176.80 1gdd h ILE 49 N 0.27 1.27 -0.47 3.11 1.08 -0.64 -0.51 117.51 121.63 1gdd h ILE 49 Ca 0.00 -1.22 -0.00 0.00 -0.39 0.00 0.00 64.86 63.25 1gdd h ILE 49 Cb 1.08 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 1gdd h ILE 49 CO 0.09 0.42 0.28 0.58 -0.69 0.00 0.00 178.15 178.83 1gdd h VAL 50 N 0.72 1.15 -0.76 1.67 2.07 -1.14 -2.26 116.25 117.70 1gdd h VAL 50 Ca 0.12 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1gdd h VAL 50 Cb 0.64 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1gdd h VAL 50 CO 0.04 0.15 0.35 0.11 0.02 0.00 0.00 177.57 178.25 1gdd h LYS 51 N 0.62 1.11 0.00 1.57 1.57 -0.92 -2.69 116.57 117.83 1gdd h LYS 51 Ca 0.17 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1gdd h LYS 51 Cb 0.00 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1gdd h LYS 51 CO -0.03 0.87 -0.07 1.96 -0.57 0.00 0.00 179.45 181.61 1gdd h GLN 52 N 1.08 0.00 0.00 3.15 1.08 -0.75 -0.72 115.11 118.95 1gdd h GLN 52 Ca 0.26 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.31 1gdd h GLN 52 Cb 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1gdd h GLN 52 CO -0.03 0.07 -0.70 0.52 -0.95 0.00 0.00 178.83 177.75 1gdd h MET 53 N 0.00 0.00 0.01 1.46 2.86 -1.07 0.18 114.93 118.37 1gdd h MET 53 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gdd h MET 53 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1gdd h MET 53 CO 0.01 0.70 -0.01 0.87 1.06 0.00 0.00 176.91 179.54 1gdd h LYS 54 N 0.00 -0.02 -0.14 1.72 1.57 -1.33 0.47 116.57 118.84 1gdd h LYS 54 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1gdd h LYS 54 Cb 1.36 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 1gdd h LYS 54 CO 0.09 0.76 -0.08 0.82 -0.57 0.00 0.00 179.45 180.47 1gdd h ILE 55 N -0.84 0.74 0.08 1.86 2.04 -1.19 0.07 117.51 120.28 1gdd h ILE 55 Ca -0.00 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.59 1gdd h ILE 55 Cb 0.78 0.74 0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1gdd h ILE 55 CO 0.00 0.00 -1.08 0.40 0.00 0.00 0.00 178.15 177.47 1gdd h ILE 56 N -0.08 1.32 0.00 -0.67 2.04 -0.98 -3.39 117.51 115.75 1gdd h ILE 56 Ca 0.08 -2.37 -0.26 0.00 1.00 0.00 0.00 64.86 63.32 1gdd h ILE 56 Cb 0.20 2.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.89 1gdd h ILE 56 CO -0.19 0.71 -2.26 1.41 0.00 0.00 0.00 178.15 177.82 1gdd n HIS 57 N -3.89 0.02 0.00 1.37 8.25 0.16 -4.93 115.22 116.20 1gdd n HIS 57 Ca -0.13 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1gdd n HIS 57 Cb 0.91 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1gdd n HIS 57 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1gdd n GLU 58 N -2.62 0.19 -0.04 -0.41 1.02 -0.41 -4.85 120.64 113.52 1gdd n GLU 58 Ca -0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.87 1gdd n GLU 58 Cb 0.99 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 32.33 1gdd n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gdd n ALA 59 N -3.00 1.90 0.00 0.62 0.00 -1.10 -4.85 120.51 114.08 1gdd n ALA 59 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1gdd n ALA 59 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1gdd n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gdd n GLY 60 N 2.28 1.39 2.98 0.00 0.00 -0.12 -4.44 105.19 107.28 1gdd n GLY 60 Ca -0.13 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1gdd n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gdd s TYR 61 N 0.00 2.16 0.42 1.61 1.51 -1.26 -4.76 117.35 117.02 1gdd s TYR 61 Ca 0.00 -1.33 -0.12 0.00 -1.01 0.00 0.00 57.07 54.61 1gdd s TYR 61 Cb 0.00 -1.54 -0.07 0.00 -0.11 0.00 0.00 41.96 40.24 1gdd s TYR 61 CO 0.00 -0.68 0.81 -1.54 -1.11 0.00 0.00 175.55 173.02 1gdd s SER 62 N 1.49 6.56 0.48 2.29 1.04 -1.26 -4.75 113.70 119.54 1gdd s SER 62 Ca 0.01 1.22 0.25 0.00 0.48 0.00 0.00 55.95 57.92 1gdd s SER 62 Cb -0.15 -2.36 1.29 0.00 0.10 0.00 0.00 66.02 64.91 1gdd s SER 62 CO -0.09 -0.42 1.87 -0.08 0.98 0.00 0.00 173.24 175.50 1gdd h GLU 63 N 1.26 0.18 -0.55 4.02 4.81 -1.98 2.01 114.58 124.34 1gdd h GLU 63 Ca -0.47 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 1gdd h GLU 63 Cb 1.19 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1gdd h GLU 63 CO 0.63 0.12 -0.08 1.49 -0.73 0.00 0.00 179.01 180.45 1gdd h GLU 64 N 0.19 1.03 -0.09 1.92 4.81 -1.98 -0.37 114.58 120.08 1gdd h GLU 64 Ca 0.45 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1gdd h GLU 64 Cb 1.45 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1gdd h GLU 64 CO -0.09 1.06 -0.00 0.93 -0.73 0.00 0.00 179.01 180.17 1gdd h GLU 65 N 0.91 0.16 -0.09 1.92 5.08 0.23 -2.73 114.58 120.07 1gdd h GLU 65 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1gdd h GLU 65 Cb 0.64 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1gdd h GLU 65 CO 0.04 0.44 -0.03 0.00 -1.00 0.00 0.00 179.01 178.46 1gdd h LYS 67 N 0.12 0.00 0.00 0.00 1.57 -0.74 0.67 116.57 118.19 1gdd h LYS 67 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1gdd h LYS 67 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1gdd h LYS 67 CO 0.01 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 1gdd n GLN 68 N -4.26 0.12 -0.36 3.15 1.13 -0.56 -3.03 117.38 113.57 1gdd n GLN 68 Ca -0.00 0.28 0.12 0.00 -1.94 0.00 0.00 57.00 55.45 1gdd n GLN 68 Cb 0.21 -1.70 0.31 0.00 0.11 0.00 0.00 30.24 29.17 1gdd n GLN 68 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1gdd n TYR 69 N -1.93 0.94 0.31 1.08 4.02 0.23 -4.58 117.16 117.24 1gdd n TYR 69 Ca 0.04 -0.47 -0.17 0.00 -0.01 0.00 0.00 57.90 57.29 1gdd n TYR 69 Cb 0.26 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.50 1gdd n TYR 69 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1gdd h LYS 70 N 4.25 -0.83 0.00 -0.72 3.64 -1.64 -0.63 116.57 120.64 1gdd h LYS 70 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1gdd h LYS 70 Cb 0.97 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1gdd h LYS 70 CO 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 179.45 176.63 1gdd n ALA 71 N -2.58 1.47 0.11 5.00 0.00 -1.26 -1.44 120.51 121.80 1gdd n ALA 71 Ca -0.12 0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1gdd n ALA 71 Cb 0.38 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 1gdd n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gdd h VAL 72 N 0.00 1.26 0.05 0.00 2.07 -1.71 -0.78 116.25 117.15 1gdd h VAL 72 Ca 0.00 -2.62 -0.00 0.00 0.82 0.00 0.00 66.70 64.90 1gdd h VAL 72 Cb 0.25 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1gdd h VAL 72 CO 0.00 0.79 -0.02 0.58 0.02 0.00 0.00 177.57 178.94 1gdd h VAL 73 N 0.01 1.05 -0.28 2.57 2.07 -0.21 0.32 116.25 121.78 1gdd h VAL 73 Ca -0.25 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1gdd h VAL 73 Cb 2.04 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 1gdd h VAL 73 CO 0.23 0.08 0.09 1.88 0.02 0.00 0.00 177.57 179.87 1gdd h TYR 74 N -0.21 0.16 -0.42 1.57 0.05 -1.34 0.11 116.97 116.88 1gdd h TYR 74 Ca -0.01 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.82 1gdd h TYR 74 Cb 0.19 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 1gdd h TYR 74 CO -0.03 0.07 0.20 1.03 -1.05 0.00 0.00 178.16 178.38 1gdd h SER 75 N 0.21 0.29 -0.75 3.88 0.87 -0.85 -0.13 113.55 117.07 1gdd h SER 75 Ca 0.13 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1gdd h SER 75 Cb 0.11 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1gdd h SER 75 CO -0.14 0.21 0.25 0.78 -0.53 0.00 0.00 176.83 177.40 1gdd h ASN 76 N 0.41 1.09 -0.23 6.23 -0.26 0.52 -1.90 115.58 121.44 1gdd h ASN 76 Ca 0.18 -0.20 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1gdd h ASN 76 Cb 0.09 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 1gdd h ASN 76 CO -0.13 1.00 0.02 0.74 -1.06 0.00 0.00 177.43 178.00 1gdd h THR 77 N 1.12 1.24 -0.31 2.81 2.02 -0.38 -1.48 112.91 117.92 1gdd h THR 77 Ca 0.25 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1gdd h THR 77 Cb 0.29 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1gdd h THR 77 CO -0.01 0.25 0.17 0.40 0.37 0.00 0.00 175.52 176.70 1gdd h ILE 78 N 0.17 1.13 -0.66 3.11 2.04 -0.90 -1.68 117.51 120.73 1gdd h ILE 78 Ca 0.07 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1gdd h ILE 78 Cb 0.35 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1gdd h ILE 78 CO 0.01 0.13 0.44 -0.61 0.00 0.00 0.00 178.15 178.12 1gdd h GLN 79 N 0.38 0.87 0.24 2.37 4.15 -1.36 0.83 115.11 122.59 1gdd h GLN 79 Ca 0.11 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1gdd h GLN 79 Cb 0.06 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1gdd h GLN 79 CO -0.02 0.57 -0.13 0.77 -1.93 0.00 0.00 178.83 178.10 1gdd h SER 80 N 0.89 -0.30 -0.42 -0.69 0.02 -1.05 -0.86 113.55 111.14 1gdd h SER 80 Ca 0.24 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 1gdd h SER 80 Cb -0.10 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1gdd h SER 80 CO -0.06 -0.21 0.06 -0.29 -1.14 0.00 0.00 176.83 175.20 1gdd h ILE 81 N -0.34 1.24 -0.66 3.27 6.09 -1.04 -2.19 117.51 123.89 1gdd h ILE 81 Ca -0.03 -0.89 0.07 0.00 -1.37 0.00 0.00 64.86 62.64 1gdd h ILE 81 Cb 0.27 1.01 -0.04 0.00 0.47 0.00 0.00 36.82 38.52 1gdd h ILE 81 CO 0.04 0.31 0.43 0.40 -3.07 0.00 0.00 178.15 176.27 1gdd h ILE 82 N 0.56 0.99 -0.55 2.19 2.04 -0.75 -1.39 117.51 120.60 1gdd h ILE 82 Ca 0.13 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 1gdd h ILE 82 Cb 0.38 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1gdd h ILE 82 CO 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 178.15 178.23 1gdd h ALA 83 N 1.65 0.88 -0.37 1.87 0.00 -0.55 0.22 119.26 122.95 1gdd h ALA 83 Ca 0.29 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1gdd h ALA 83 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1gdd h ALA 83 CO -0.09 0.65 -0.35 0.82 0.00 0.00 0.00 179.25 180.28 1gdd h ILE 84 N 0.90 1.28 -0.00 0.00 2.04 -0.86 -2.15 117.51 118.72 1gdd h ILE 84 Ca 0.15 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 1gdd h ILE 84 Cb 0.58 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1gdd h ILE 84 CO 0.04 0.50 -0.00 0.40 0.00 0.00 0.00 178.15 179.09 1gdd h ILE 85 N 0.71 1.39 -0.11 -0.67 1.08 -1.13 -1.98 117.51 116.79 1gdd h ILE 85 Ca 0.07 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1gdd h ILE 85 Cb 0.92 2.16 -0.01 0.00 -3.07 0.00 0.00 36.82 36.82 1gdd h ILE 85 CO 0.08 0.30 0.07 -0.09 -0.69 0.00 0.00 178.15 177.82 1gdd h ARG 86 N -0.48 0.14 -0.55 2.37 2.43 -0.61 -2.54 114.38 115.14 1gdd h ARG 86 Ca 0.00 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1gdd h ARG 86 Cb 0.48 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1gdd h ARG 86 CO 0.00 0.10 -0.10 0.00 -1.51 0.00 0.00 179.97 178.46 1gdd h ALA 87 N 1.93 0.76 -0.78 2.80 0.00 -0.92 -2.07 119.26 120.98 1gdd h ALA 87 Ca 0.04 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 54.75 1gdd h ALA 87 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1gdd h ALA 87 CO -0.01 0.67 0.52 0.52 0.00 0.00 0.00 179.25 180.95 1gdd h MET 88 N 0.92 0.45 0.81 0.00 2.86 -0.93 0.88 114.93 119.93 1gdd h MET 88 Ca 0.14 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1gdd h MET 88 Cb 0.67 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.24 1gdd h MET 88 CO 0.05 0.30 -0.39 0.78 1.06 0.00 0.00 176.91 178.71 1gdd h GLY 89 N 0.47 -1.13 1.30 8.32 0.00 -1.36 1.11 103.07 111.78 1gdd h GLY 89 Ca 0.38 0.42 -0.00 0.00 0.00 0.00 0.00 47.33 48.13 1gdd h GLY 89 CO -0.13 -0.41 0.42 3.21 0.00 0.00 0.00 176.54 179.63 1gdd h ARG 90 N -1.26 0.93 0.00 4.80 3.08 -1.14 -2.34 114.38 118.44 1gdd h ARG 90 Ca -0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1gdd h ARG 90 Cb 0.84 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1gdd h ARG 90 CO 0.18 0.65 -0.43 1.28 -1.07 0.00 0.00 179.97 180.58 1gdd n LEU 91 N -4.40 0.47 -2.22 3.04 4.77 0.30 -4.97 117.00 113.98 1gdd n LEU 91 Ca 0.07 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 1gdd n LEU 91 Cb 0.06 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1gdd n LEU 91 CO 0.37 0.05 0.09 0.29 -1.33 0.00 0.00 177.39 176.86 1gdd n LYS 92 N -1.67 -3.84 -3.70 3.23 4.76 0.36 -5.01 118.16 112.30 1gdd n LYS 92 Ca 0.05 0.44 -0.35 0.00 -2.87 0.00 0.00 58.31 55.58 1gdd n LYS 92 Cb 0.36 -4.29 -0.08 0.00 -1.84 0.00 0.00 35.03 29.19 1gdd n LYS 92 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1gdd s ILE 93 N -3.18 5.40 0.86 -0.18 -1.09 0.03 -5.02 121.20 118.02 1gdd s ILE 93 Ca 0.14 0.26 -0.13 0.00 -2.23 0.00 0.00 60.65 58.70 1gdd s ILE 93 Cb -0.06 -3.50 0.13 0.00 -1.58 0.00 0.00 42.46 37.46 1gdd s ILE 93 CO 0.39 0.45 1.22 -1.81 -1.23 0.00 0.00 174.94 173.95 1gdd s ASP 94 N 0.25 3.90 -0.01 3.58 1.01 -1.26 -4.71 116.67 119.42 1gdd s ASP 94 Ca 0.10 0.45 -0.18 0.00 0.71 0.00 0.00 52.55 53.64 1gdd s ASP 94 Cb -0.11 -0.75 -0.05 0.00 1.01 0.00 0.00 42.92 43.01 1gdd s ASP 94 CO -0.00 -2.25 0.51 -0.36 0.21 0.00 0.00 175.17 173.28 1gdd s PHE 95 N -3.66 3.68 0.47 4.23 0.08 -1.26 -4.29 117.98 117.23 1gdd s PHE 95 Ca 0.67 1.08 0.26 0.00 0.12 0.00 0.00 56.93 59.06 1gdd s PHE 95 Cb -0.07 -2.48 1.30 0.00 -0.57 0.00 0.00 43.02 41.20 1gdd s PHE 95 CO 0.50 0.44 1.83 0.78 -0.10 0.00 0.00 175.22 178.67 1gdd h GLY 96 N 5.40 0.54 -6.60 4.36 0.00 -1.90 -3.37 103.07 101.51 1gdd h GLY 96 Ca -0.47 -0.10 -0.30 0.00 0.00 0.00 0.00 47.33 46.46 1gdd h GLY 96 CO 0.67 -0.04 -0.70 0.99 0.00 0.00 0.00 176.54 177.46 1gdd s ASP 97 N -5.43 0.22 0.00 0.19 1.01 -1.26 -4.91 116.67 106.48 1gdd s ASP 97 Ca -0.07 0.11 0.16 0.00 0.71 0.00 0.00 52.55 53.46 1gdd s ASP 97 Cb 0.23 -0.01 0.93 0.00 1.01 0.00 0.00 42.92 45.08 1gdd s ASP 97 CO 0.79 -0.16 1.41 0.00 0.21 0.00 0.00 175.17 177.42 1gdd n ALA 98 N 4.40 2.30 0.16 5.23 0.00 -1.26 -2.23 120.51 129.11 1gdd n ALA 98 Ca -0.23 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.14 1gdd n ALA 98 Cb 0.50 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 18.94 1gdd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gdd h ALA 99 N 3.10 0.95 0.00 0.00 0.00 -1.97 -2.97 119.26 118.37 1gdd h ALA 99 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1gdd h ALA 99 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gdd h ALA 99 CO 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1gdd h ARG 100 N 0.00 0.00 -0.04 0.00 2.47 -1.85 -1.10 114.38 113.85 1gdd h ARG 100 Ca -0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1gdd h ARG 100 Cb 1.03 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1gdd h ARG 100 CO 0.06 0.07 0.14 0.00 0.56 0.00 0.00 179.97 180.81 1gdd h ALA 101 N 1.93 1.32 0.05 0.04 0.00 -1.72 0.17 119.26 121.03 1gdd h ALA 101 Ca -0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1gdd h ALA 101 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1gdd h ALA 101 CO 0.01 -0.16 -1.36 -0.44 0.00 0.00 0.00 179.25 177.29 1gdd h ASP 102 N 0.00 0.15 0.29 0.00 5.19 -1.40 -3.02 116.42 117.64 1gdd h ASP 102 Ca 0.02 -0.21 -0.11 0.00 -0.62 0.00 0.00 57.03 56.11 1gdd h ASP 102 Cb 0.31 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1gdd h ASP 102 CO -0.00 1.17 -0.46 0.44 -3.12 0.00 0.00 179.24 177.27 1gdd h ASP 103 N 0.03 0.22 -0.46 6.45 3.32 -1.11 -1.52 116.42 123.34 1gdd h ASP 103 Ca -0.16 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1gdd h ASP 103 Cb 1.92 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 41.39 1gdd h ASP 103 CO 0.13 0.65 0.19 0.00 -1.72 0.00 0.00 179.24 178.49 1gdd h ALA 104 N 1.36 0.60 -0.29 3.45 0.00 -1.20 0.17 119.26 123.34 1gdd h ALA 104 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1gdd h ALA 104 Cb 0.88 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1gdd h ALA 104 CO 0.07 0.20 0.04 -0.09 0.00 0.00 0.00 179.25 179.47 1gdd h ARG 105 N 0.60 0.49 -0.22 0.00 2.43 -1.39 -2.88 114.38 113.41 1gdd h ARG 105 Ca 0.15 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1gdd h ARG 105 Cb 0.19 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1gdd h ARG 105 CO -0.01 0.60 0.11 1.96 -1.51 0.00 0.00 179.97 181.12 1gdd h GLN 106 N 0.30 0.29 -0.66 0.20 1.08 -0.89 -0.77 115.11 114.67 1gdd h GLN 106 Ca 0.09 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1gdd h GLN 106 Cb 0.35 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1gdd h GLN 106 CO 0.01 0.22 0.39 1.25 -0.95 0.00 0.00 178.83 179.75 1gdd h LEU 107 N 0.30 0.80 -0.90 1.46 5.85 -0.47 0.17 115.31 122.52 1gdd h LEU 107 Ca 0.08 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1gdd h LEU 107 Cb 0.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1gdd h LEU 107 CO -0.01 0.63 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.12 1gdd h PHE 108 N 0.90 0.00 0.24 1.25 0.04 -1.08 0.38 116.94 118.67 1gdd h PHE 108 Ca 0.24 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1gdd h PHE 108 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1gdd h PHE 108 CO -0.01 0.34 -0.11 0.28 -0.60 0.00 0.00 178.31 178.20 1gdd h VAL 109 N 0.00 0.54 -0.10 -0.55 2.07 -0.68 0.42 116.25 117.96 1gdd h VAL 109 Ca -0.00 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1gdd h VAL 109 Cb 0.90 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1gdd h VAL 109 CO 0.04 0.14 0.05 -0.07 0.02 0.00 0.00 177.57 177.75 1gdd h LEU 110 N -0.96 0.13 -0.75 2.57 3.38 -0.85 -1.28 115.31 117.55 1gdd h LEU 110 Ca -0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1gdd h LEU 110 Cb 0.47 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1gdd h LEU 110 CO 0.05 0.22 0.12 0.00 0.09 0.00 0.00 178.44 178.93 1gdd h ALA 111 N 0.91 0.97 0.00 1.53 0.00 -0.34 -2.84 119.26 119.49 1gdd h ALA 111 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1gdd h ALA 111 Cb 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1gdd h ALA 111 CO -0.00 0.65 0.00 0.78 0.00 0.00 0.00 179.25 180.68 1gdd h GLY 112 N 1.05 0.00 -3.35 0.00 0.00 0.26 -2.19 103.07 98.84 1gdd h GLY 112 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1gdd h GLY 112 CO 0.01 0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.69 1gdd n ALA 113 N -2.08 4.08 -2.97 3.60 0.00 -0.52 -4.94 120.51 117.69 1gdd n ALA 113 Ca -0.01 -1.87 -0.10 0.00 0.00 0.00 0.00 53.44 51.46 1gdd n ALA 113 Cb 0.22 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 1gdd n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gdd s ALA 114 N -2.61 0.03 -0.10 0.00 0.00 -0.82 -5.04 121.76 113.21 1gdd s ALA 114 Ca 0.48 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 1gdd s ALA 114 Cb 0.37 0.09 -0.28 0.00 0.00 0.00 0.00 23.12 23.31 1gdd s ALA 114 CO 0.13 -0.12 0.68 0.93 0.00 0.00 0.00 175.76 177.38 1gdd h GLU 115 N 5.04 0.19 -6.31 0.00 5.08 -1.92 -3.49 114.58 113.17 1gdd h GLU 115 Ca -0.30 -0.32 -0.60 0.00 -1.00 0.00 0.00 59.36 57.15 1gdd h GLU 115 Cb 1.21 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.45 1gdd h GLU 115 CO 0.43 1.15 -0.70 -2.00 -1.00 0.00 0.00 179.01 176.89 1gdd s GLU 116 N -2.39 2.05 0.52 2.33 2.12 -1.26 -5.12 118.70 116.94 1gdd s GLU 116 Ca -0.18 -1.44 -0.22 0.00 0.36 0.00 0.00 54.97 53.49 1gdd s GLU 116 Cb 0.02 -2.07 -0.07 0.00 0.26 0.00 0.00 34.13 32.27 1gdd s GLU 116 CO 0.75 0.38 1.15 0.41 -0.54 0.00 0.00 175.26 177.42 1gdd n GLY 117 N -0.45 0.19 3.82 -1.50 0.00 -1.26 -5.03 105.19 100.97 1gdd n GLY 117 Ca -0.08 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1gdd n GLY 117 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gdd s PHE 118 N -1.34 -0.15 -0.09 1.61 -0.71 -1.26 -4.76 117.98 111.28 1gdd s PHE 118 Ca 0.69 -0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 56.22 1gdd s PHE 118 Cb -0.46 0.66 0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1gdd s PHE 118 CO 0.52 -1.21 0.23 1.41 -1.34 0.00 0.00 175.22 174.83 1gdd s MET 119 N -3.92 0.24 0.07 1.99 1.75 -1.26 -4.84 119.30 113.32 1gdd s MET 119 Ca 0.12 0.39 0.01 0.00 -1.25 0.00 0.00 55.69 54.96 1gdd s MET 119 Cb -0.05 0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.61 1gdd s MET 119 CO 0.07 -0.08 -0.06 0.95 -0.65 0.00 0.00 175.02 175.24 1gdd s THR 120 N 0.58 0.51 0.37 10.11 -4.23 -1.26 -5.01 115.64 116.71 1gdd s THR 120 Ca -0.04 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1gdd s THR 120 Cb -0.05 -1.20 0.28 0.00 1.34 0.00 0.00 72.50 72.87 1gdd s THR 120 CO -0.03 -0.71 1.99 0.00 -0.54 0.00 0.00 174.62 175.33 1gdd h ALA 121 N 3.62 1.68 0.13 3.99 0.00 -1.98 1.54 119.26 128.24 1gdd h ALA 121 Ca -0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1gdd h ALA 121 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1gdd h ALA 121 CO 0.55 0.24 -0.06 1.49 0.00 0.00 0.00 179.25 181.48 1gdd h GLU 122 N 0.74 -0.16 -0.83 0.00 4.81 -2.00 -1.17 114.58 115.97 1gdd h GLU 122 Ca 0.26 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1gdd h GLU 122 Cb 0.13 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1gdd h GLU 122 CO -0.08 0.12 0.44 1.25 -0.73 0.00 0.00 179.01 180.02 1gdd h LEU 123 N -0.45 1.05 -1.08 1.64 5.85 -1.67 -1.93 115.31 118.71 1gdd h LEU 123 Ca -0.02 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1gdd h LEU 123 Cb 0.36 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1gdd h LEU 123 CO 0.03 0.86 0.62 0.00 -0.34 0.00 0.00 178.44 179.61 1gdd h ALA 124 N 1.23 1.44 -0.14 1.25 0.00 0.23 -1.55 119.26 121.72 1gdd h ALA 124 Ca 0.29 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1gdd h ALA 124 Cb 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1gdd h ALA 124 CO -0.04 0.43 -0.20 0.78 0.00 0.00 0.00 179.25 180.21 1gdd h GLY 125 N 1.12 0.43 0.54 0.00 0.00 -0.55 -1.41 103.07 103.21 1gdd h GLY 125 Ca 0.40 -0.47 0.06 0.00 0.00 0.00 0.00 47.33 47.32 1gdd h GLY 125 CO -0.15 0.42 0.10 -2.08 0.00 0.00 0.00 176.54 174.84 1gdd h VAL 126 N 0.01 0.81 -0.47 4.60 2.07 -1.11 -1.57 116.25 120.59 1gdd h VAL 126 Ca 0.02 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1gdd h VAL 126 Cb 0.77 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1gdd h VAL 126 CO 0.05 0.04 0.01 0.40 0.02 0.00 0.00 177.57 178.09 1gdd h ILE 127 N 0.24 1.26 -0.10 4.57 2.04 -1.27 -1.84 117.51 122.41 1gdd h ILE 127 Ca 0.20 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1gdd h ILE 127 Cb 0.22 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1gdd h ILE 127 CO -0.24 0.36 0.07 0.50 0.00 0.00 0.00 178.15 178.84 1gdd h LYS 128 N 0.67 0.14 -0.48 2.37 3.64 -1.12 0.27 116.57 122.06 1gdd h LYS 128 Ca 0.13 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1gdd h LYS 128 Cb 0.49 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1gdd h LYS 128 CO 0.02 0.11 0.27 0.00 -2.27 0.00 0.00 179.45 177.57 1gdd h ARG 129 N 0.13 0.51 0.43 1.90 3.08 -1.29 0.13 114.38 119.27 1gdd h ARG 129 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1gdd h ARG 129 Cb -0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1gdd h ARG 129 CO -0.01 0.34 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.96 1gdd h LEU 130 N 0.53 -0.49 -0.84 3.04 3.38 -1.18 -2.71 115.31 117.04 1gdd h LEU 130 Ca 0.20 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.26 1gdd h LEU 130 Cb 0.06 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 1gdd h LEU 130 CO -0.11 -0.21 0.40 -0.25 0.09 0.00 0.00 178.44 178.35 1gdd h TRP 131 N -0.75 0.69 0.00 1.13 -0.00 -0.66 0.24 115.95 116.60 1gdd h TRP 131 Ca -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1gdd h TRP 131 Cb 0.53 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.51 1gdd h TRP 131 CO -0.01 0.11 0.00 -0.22 -0.00 0.00 0.00 178.44 178.32 1gdd h LYS 132 N 0.54 0.00 -6.93 2.65 3.64 -0.76 -3.40 116.57 112.31 1gdd h LYS 132 Ca 0.47 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.32 1gdd h LYS 132 Cb 0.73 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.64 1gdd h LYS 132 CO -0.41 0.00 0.71 0.34 -2.27 0.00 0.00 179.45 177.83 1gdd s ASP 133 N -5.24 6.45 0.15 4.20 2.15 0.83 -4.87 116.67 120.34 1gdd s ASP 133 Ca 0.02 2.89 -0.13 0.00 0.43 0.00 0.00 52.55 55.77 1gdd s ASP 133 Cb 0.09 -2.66 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1gdd s ASP 133 CO 0.50 -0.78 1.64 0.77 -0.17 0.00 0.00 175.17 177.13 1gdd h SER 134 N 3.06 0.80 -0.12 -0.34 4.64 -1.87 0.28 113.55 120.00 1gdd h SER 134 Ca -0.50 -0.25 -0.09 0.00 -0.47 0.00 0.00 61.79 60.47 1gdd h SER 134 Cb 1.24 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1gdd h SER 134 CO 0.64 0.85 -0.21 1.23 -0.87 0.00 0.00 176.83 178.47 1gdd h GLY 135 N 0.72 0.59 0.96 -0.77 0.00 -1.87 0.15 103.07 102.84 1gdd h GLY 135 Ca 0.16 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1gdd h GLY 135 CO 0.01 0.43 -0.30 -2.08 0.00 0.00 0.00 176.54 174.60 1gdd h VAL 136 N 0.49 1.31 -0.45 4.60 2.07 -1.71 -1.38 116.25 121.18 1gdd h VAL 136 Ca 0.08 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1gdd h VAL 136 Cb 0.64 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1gdd h VAL 136 CO 0.05 0.47 0.30 1.56 0.02 0.00 0.00 177.57 179.96 1gdd h GLN 137 N 0.41 0.53 -0.25 1.57 1.08 -0.17 0.43 115.11 118.70 1gdd h GLN 137 Ca 0.04 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1gdd h GLN 137 Cb 0.87 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1gdd h GLN 137 CO 0.07 0.35 -0.15 0.00 -0.95 0.00 0.00 178.83 178.15 1gdd h ALA 138 N 1.73 0.36 -0.64 3.87 0.00 -0.47 0.92 119.26 125.04 1gdd h ALA 138 Ca 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1gdd h ALA 138 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1gdd h ALA 138 CO -0.04 0.25 0.23 0.00 0.00 0.00 0.00 179.25 179.70 1gdd h PHE 140 N 0.90 0.11 0.00 0.00 3.57 0.22 0.21 116.94 121.95 1gdd h PHE 140 Ca 0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1gdd h PHE 140 Cb 0.24 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1gdd h PHE 140 CO 0.02 -0.01 0.00 0.09 -2.23 0.00 0.00 178.31 176.18 1gdd n ASN 141 N -5.12 0.52 -1.84 0.41 3.02 0.28 -0.57 115.26 111.96 1gdd n ASN 141 Ca 0.03 0.74 -0.18 0.00 -0.03 0.00 0.00 54.58 55.14 1gdd n ASN 141 Cb 0.19 -0.81 0.17 0.00 -0.61 0.00 0.00 39.78 38.73 1gdd n ASN 141 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1gdd n ARG 142 N -2.20 2.18 0.31 3.52 1.74 0.74 -4.69 116.66 118.27 1gdd n ARG 142 Ca -0.01 -3.15 0.17 0.00 -0.77 0.00 0.00 57.85 54.09 1gdd n ARG 142 Cb 0.04 -2.06 0.90 0.00 -1.02 0.00 0.00 32.46 30.32 1gdd n ARG 142 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1gdd h SER 143 N 1.13 0.00 0.91 0.55 4.64 -0.82 0.23 113.55 120.19 1gdd h SER 143 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1gdd h SER 143 Cb 2.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.29 1gdd h SER 143 CO 0.87 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.72 1gdd n ARG 144 N -2.85 0.07 0.00 4.77 1.85 -1.26 -2.66 116.66 116.58 1gdd n ARG 144 Ca -0.02 0.16 0.14 0.00 -1.00 0.00 0.00 57.85 57.13 1gdd n ARG 144 Cb 0.26 -1.60 0.53 0.00 -1.05 0.00 0.00 32.46 30.60 1gdd n ARG 144 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1gdd n GLU 145 N -1.72 1.39 -3.91 2.89 1.02 0.79 -3.36 120.64 117.74 1gdd n GLU 145 Ca 0.05 -0.76 -0.08 0.00 -0.02 0.00 0.00 57.16 56.36 1gdd n GLU 145 Cb 0.30 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1gdd n GLU 145 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1gdd s TYR 146 N -2.13 0.03 -0.38 -0.32 1.13 -1.09 -5.04 117.35 109.56 1gdd s TYR 146 Ca 0.35 -0.47 -0.26 0.00 -1.41 0.00 0.00 57.07 55.29 1gdd s TYR 146 Cb 0.21 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.61 1gdd s TYR 146 CO 0.38 -1.18 0.92 -0.65 -2.51 0.00 0.00 175.55 172.51 1gdd s GLN 147 N -3.84 3.81 -0.01 -3.49 -0.21 -1.26 -4.88 119.66 109.77 1gdd s GLN 147 Ca 0.15 0.52 -0.00 0.00 0.02 0.00 0.00 55.36 56.05 1gdd s GLN 147 Cb -0.04 -3.81 0.01 0.00 1.00 0.00 0.00 33.01 30.17 1gdd s GLN 147 CO 0.08 -0.97 0.02 -1.17 -2.12 0.00 0.00 175.29 171.13 1gdd s LEU 148 N 3.48 1.64 0.34 2.90 2.96 -1.26 -4.91 118.68 123.83 1gdd s LEU 148 Ca 0.38 0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 54.04 1gdd s LEU 148 Cb -0.12 0.01 -0.12 0.00 0.50 0.00 0.00 46.19 46.45 1gdd s LEU 148 CO 0.19 -0.05 1.32 0.59 -1.32 0.00 0.00 176.35 177.08 1gdd n ASN 149 N 3.47 2.88 0.25 3.68 4.13 -1.26 -4.88 115.26 123.53 1gdd n ASN 149 Ca -0.18 1.21 0.12 0.00 1.68 0.00 0.00 54.58 57.41 1gdd n ASN 149 Cb 0.56 -1.50 0.63 0.00 -1.54 0.00 0.00 39.78 37.94 1gdd n ASN 149 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1gdd h ASP 150 N 2.71 0.00 -0.10 6.41 3.32 -2.00 -2.22 116.42 124.54 1gdd h ASP 150 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1gdd h ASP 150 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1gdd h ASP 150 CO 0.64 0.15 0.00 -1.20 -1.72 0.00 0.00 179.24 177.11 1gdd n SER 151 N -3.49 1.59 -0.04 6.45 7.64 -1.26 -4.53 113.62 119.98 1gdd n SER 151 Ca -0.01 -1.62 -0.08 0.00 1.01 0.00 0.00 58.87 58.17 1gdd n SER 151 Cb 0.31 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 1gdd n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gdd h ALA 152 N 4.18 -0.63 -0.65 -0.43 0.00 -1.75 0.88 119.26 120.86 1gdd h ALA 152 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1gdd h ALA 152 Cb 0.49 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1gdd h ALA 152 CO 0.00 -0.76 0.28 0.00 0.00 0.00 0.00 179.25 178.77 1gdd h ALA 153 N -0.70 1.26 -0.15 0.00 0.00 -1.83 0.34 119.26 118.17 1gdd h ALA 153 Ca 0.03 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1gdd h ALA 153 Cb 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1gdd h ALA 153 CO -0.29 0.55 -0.28 -0.92 0.00 0.00 0.00 179.25 178.31 1gdd h TYR 154 N 0.93 -0.76 -0.09 0.00 3.20 -1.62 0.10 116.97 118.73 1gdd h TYR 154 Ca 0.22 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1gdd h TYR 154 Cb 0.15 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1gdd h TYR 154 CO 0.01 -0.36 -0.16 1.88 -1.64 0.00 0.00 178.16 177.89 1gdd h TYR 155 N -0.34 0.34 -0.58 -3.82 0.05 -0.34 -3.21 116.97 109.07 1gdd h TYR 155 Ca 0.10 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1gdd h TYR 155 Cb 0.50 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1gdd h TYR 155 CO -0.38 0.76 0.38 -0.07 -1.05 0.00 0.00 178.16 177.79 1gdd h LEU 156 N -0.18 0.67 -1.87 3.88 3.38 -0.07 -1.93 115.31 119.19 1gdd h LEU 156 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gdd h LEU 156 Cb 0.73 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1gdd h LEU 156 CO 0.04 0.49 0.00 0.78 0.09 0.00 0.00 178.44 179.84 1gdd h ASN 157 N 0.78 0.00 -0.37 -0.43 2.35 -0.88 -2.70 115.58 114.33 1gdd h ASN 157 Ca 0.21 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.76 1gdd h ASN 157 Cb -0.08 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.17 1gdd h ASN 157 CO -0.04 0.00 -0.11 -0.67 -1.65 0.00 0.00 177.43 174.96 1gdd n ASP 158 N -2.85 2.61 0.22 5.81 -0.08 -0.75 -4.80 116.55 116.70 1gdd n ASP 158 Ca -0.01 -3.80 -0.15 0.00 -1.51 0.00 0.00 54.79 49.32 1gdd n ASP 158 Cb 0.18 -0.63 -0.07 0.00 2.34 0.00 0.00 41.12 42.93 1gdd n ASP 158 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1gdd h LEU 159 N 1.06 -0.91 -0.73 -2.67 6.46 -1.22 -1.81 115.31 115.51 1gdd h LEU 159 Ca 0.23 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 58.23 1gdd h LEU 159 Cb 1.62 0.31 -0.12 0.00 -0.73 0.00 0.00 40.66 41.74 1gdd h LEU 159 CO 0.42 -0.47 0.08 -0.78 -0.62 0.00 0.00 178.44 177.06 1gdd h ASP 160 N -0.70 -0.19 -0.21 1.25 3.58 -1.87 2.27 116.42 120.55 1gdd h ASP 160 Ca -0.02 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1gdd h ASP 160 Cb 0.63 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1gdd h ASP 160 CO -0.06 -0.12 0.14 -0.09 -2.88 0.00 0.00 179.24 176.23 1gdd h ARG 161 N 0.17 0.28 -0.36 0.28 2.43 -1.89 0.31 114.38 115.59 1gdd h ARG 161 Ca 0.40 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.46 1gdd h ARG 161 Cb 0.70 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1gdd h ARG 161 CO -0.58 0.19 -0.17 0.82 -1.51 0.00 0.00 179.97 178.72 1gdd h ILE 162 N 0.28 1.26 0.00 1.20 2.04 0.12 -2.62 117.51 119.79 1gdd h ILE 162 Ca 0.08 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 1gdd h ILE 162 Cb -0.02 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1gdd h ILE 162 CO -0.02 0.40 -0.27 0.00 0.00 0.00 0.00 178.15 178.26 1gdd h ALA 163 N 1.22 1.23 -1.88 1.87 0.00 0.43 -3.45 119.26 118.67 1gdd h ALA 163 Ca 0.10 -0.24 -0.65 0.00 0.00 0.00 0.00 54.91 54.12 1gdd h ALA 163 Cb 0.62 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.43 1gdd h ALA 163 CO 0.04 0.34 0.54 1.04 0.00 0.00 0.00 179.25 181.21 1gdd n GLN 164 N -3.74 1.47 -0.04 0.00 1.13 0.02 -4.82 117.38 111.40 1gdd n GLN 164 Ca -0.01 0.53 0.22 0.00 -1.94 0.00 0.00 57.00 55.80 1gdd n GLN 164 Cb 0.37 -2.20 0.70 0.00 0.11 0.00 0.00 30.24 29.22 1gdd n GLN 164 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1gdd h PRO 165 N 4.83 0.00 -0.65 -1.09 0.11 -1.89 -0.00 132.00 133.30 1gdd h PRO 165 Ca -0.46 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.34 1gdd h PRO 165 Cb 1.31 -0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.24 1gdd h PRO 165 CO 0.80 0.00 0.26 0.09 -0.21 0.00 0.00 178.00 178.94 1gdd n ASN 166 N -4.36 3.38 -4.73 -2.05 5.03 -1.26 -5.02 115.26 106.26 1gdd n ASN 166 Ca 0.12 -3.59 -0.42 0.00 0.87 0.00 0.00 54.58 51.56 1gdd n ASN 166 Cb 0.68 -0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 38.69 1gdd n ASN 166 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1gdd s TYR 167 N -3.21 2.92 -0.15 3.10 5.04 -0.02 -5.02 117.35 120.01 1gdd s TYR 167 Ca 0.51 0.60 0.01 0.00 -2.44 0.00 0.00 57.07 55.75 1gdd s TYR 167 Cb 0.44 -4.03 0.02 0.00 0.35 0.00 0.00 41.96 38.73 1gdd s TYR 167 CO 0.07 -3.73 -0.18 0.42 -1.34 0.00 0.00 175.55 170.79 1gdd s ILE 168 N 0.74 1.81 0.27 3.14 1.01 -1.26 -5.07 121.20 121.83 1gdd s ILE 168 Ca 0.69 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 1gdd s ILE 168 Cb -0.47 -1.65 -0.12 0.00 0.01 0.00 0.00 42.46 40.23 1gdd s ILE 168 CO 0.37 0.50 1.61 -2.65 0.00 0.00 0.00 174.94 174.77 1gdd n PRO 169 N 4.53 2.66 -2.13 2.79 -0.02 -1.26 -5.01 135.00 136.56 1gdd n PRO 169 Ca -0.19 0.95 -0.27 0.00 -2.02 0.00 0.00 63.50 61.97 1gdd n PRO 169 Cb 0.50 -2.74 0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1gdd n PRO 169 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gdd s THR 170 N 0.22 2.23 0.22 3.45 -4.23 -1.26 -4.69 115.64 111.58 1gdd s THR 170 Ca 0.67 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 1gdd s THR 170 Cb -0.51 -3.01 0.17 0.00 1.34 0.00 0.00 72.50 70.49 1gdd s THR 170 CO 0.45 -0.01 1.79 1.56 -0.54 0.00 0.00 174.62 177.87 1gdd h GLN 171 N -0.71 0.60 -0.72 3.99 4.20 -1.95 0.10 115.11 120.62 1gdd h GLN 171 Ca -0.45 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 1gdd h GLN 171 Cb 1.32 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1gdd h GLN 171 CO 0.62 0.40 0.29 0.37 -0.67 0.00 0.00 178.83 179.83 1gdd h GLN 172 N 0.62 1.07 -0.48 1.46 5.75 -1.93 0.69 115.11 122.30 1gdd h GLN 172 Ca 0.33 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.67 1gdd h GLN 172 Cb 0.32 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1gdd h GLN 172 CO -0.24 0.87 0.29 -0.44 -2.65 0.00 0.00 178.83 176.66 1gdd h ASP 173 N 1.05 0.48 -0.63 -0.69 3.32 -1.41 0.46 116.42 119.01 1gdd h ASP 173 Ca 0.24 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1gdd h ASP 173 Cb 0.20 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1gdd h ASP 173 CO -0.02 0.34 0.30 0.58 -1.72 0.00 0.00 179.24 178.73 1gdd h VAL 174 N 0.59 1.22 -0.24 -1.35 2.07 0.85 -2.75 116.25 116.63 1gdd h VAL 174 Ca 0.19 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1gdd h VAL 174 Cb -0.01 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1gdd h VAL 174 CO -0.07 0.25 -0.18 -0.07 0.02 0.00 0.00 177.57 177.51 1gdd h LEU 175 N 0.87 0.41 -1.22 2.57 3.38 -0.49 -2.22 115.31 118.61 1gdd h LEU 175 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1gdd h LEU 175 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1gdd h LEU 175 CO -0.03 0.62 0.00 0.03 0.09 0.00 0.00 178.44 179.15 1gdd h ARG 176 N 0.39 0.00 -7.07 1.13 2.47 -0.69 -3.46 114.38 107.14 1gdd h ARG 176 Ca 0.07 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.24 1gdd h ARG 176 Cb 0.55 0.00 0.14 0.00 -1.65 0.00 0.00 29.97 29.00 1gdd h ARG 176 CO 0.04 0.00 0.56 0.95 0.56 0.00 0.00 179.97 182.07 1gdd s THR 177 N -3.58 2.17 -0.36 2.04 -4.23 -0.84 -4.71 115.64 106.13 1gdd s THR 177 Ca 0.02 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.55 1gdd s THR 177 Cb 0.09 -3.05 0.03 0.00 1.34 0.00 0.00 72.50 70.90 1gdd s THR 177 CO 0.55 -0.01 0.17 -0.60 -0.54 0.00 0.00 174.62 174.19 1gdd s ARG 178 N -3.10 2.80 -0.08 3.99 3.00 -1.26 -5.00 118.95 119.31 1gdd s ARG 178 Ca 0.75 -1.08 0.05 0.00 -1.00 0.00 0.00 55.73 54.45 1gdd s ARG 178 Cb -0.38 -3.64 -0.00 0.00 0.00 0.00 0.00 34.95 30.93 1gdd s ARG 178 CO 0.43 -0.67 -0.23 0.08 0.00 0.00 0.00 175.30 174.91 1gdd s VAL 179 N 1.51 1.96 -0.17 7.11 1.01 -1.26 -4.98 120.40 125.58 1gdd s VAL 179 Ca 0.01 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 1gdd s VAL 179 Cb -0.19 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1gdd s VAL 179 CO 0.05 0.54 1.62 -0.75 0.00 0.00 0.00 175.10 176.57 1gdd s LYS 180 N 0.14 3.91 -0.09 2.72 2.20 -1.26 -5.00 119.74 122.36 1gdd s LYS 180 Ca -0.12 1.82 0.01 0.00 -0.36 0.00 0.00 55.97 57.32 1gdd s LYS 180 Cb -0.16 -4.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.12 1gdd s LYS 180 CO 0.06 -1.16 -0.10 0.99 -0.36 0.00 0.00 175.35 174.78 1gdd s THR 181 N 4.87 3.39 0.10 3.43 2.01 -1.26 -5.13 115.64 123.06 1gdd s THR 181 Ca 0.72 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1gdd s THR 181 Cb -0.27 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1gdd s THR 181 CO 0.29 0.57 -0.08 0.42 -0.69 0.00 0.00 174.62 175.12 1gdd s THR 182 N -0.40 0.86 0.00 -0.82 -4.23 -1.26 -5.11 115.64 104.68 1gdd s THR 182 Ca 0.05 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1gdd s THR 182 Cb -0.12 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1gdd s THR 182 CO 0.02 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 1gdd n GLY 183 N 0.23 -0.89 3.85 3.99 0.00 -1.26 -4.86 105.19 106.25 1gdd n GLY 183 Ca -0.14 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1gdd n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gdd s ILE 184 N -1.20 4.79 -0.07 -0.61 -1.09 -1.26 -4.86 121.20 116.90 1gdd s ILE 184 Ca 0.00 0.85 0.05 0.00 -2.23 0.00 0.00 60.65 59.33 1gdd s ILE 184 Cb 0.00 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1gdd s ILE 184 CO 0.00 0.09 -0.24 -0.69 -1.23 0.00 0.00 174.94 172.88 1gdd s VAL 185 N -1.64 1.98 -0.11 2.92 1.01 -0.94 -4.98 120.40 118.63 1gdd s VAL 185 Ca 0.44 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1gdd s VAL 185 Cb -0.14 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1gdd s VAL 185 CO 0.20 0.55 -0.18 -0.70 0.00 0.00 0.00 175.10 174.97 1gdd s GLU 186 N 0.01 2.48 -0.04 2.72 2.12 -1.26 -1.06 118.70 123.67 1gdd s GLU 186 Ca -0.08 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.65 1gdd s GLU 186 Cb -0.15 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 1gdd s GLU 186 CO 0.05 -0.01 -0.23 0.99 -0.54 0.00 0.00 175.26 175.52 1gdd s THR 187 N 0.83 1.83 -0.11 -1.70 2.01 0.12 -4.92 115.64 113.70 1gdd s THR 187 Ca -0.09 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1gdd s THR 187 Cb -0.16 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1gdd s THR 187 CO 0.00 0.52 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.26 1gdd s HIS 188 N -0.23 2.67 0.00 4.92 3.76 -1.26 0.65 115.29 125.80 1gdd s HIS 188 Ca 0.00 -0.77 -0.19 0.00 -0.15 0.00 0.00 55.06 53.95 1gdd s HIS 188 Cb -0.12 -1.75 0.04 0.00 1.11 0.00 0.00 32.58 31.86 1gdd s HIS 188 CO 0.02 -0.27 0.42 -0.59 -0.85 0.00 0.00 174.74 173.47 1gdd s PHE 189 N 0.22 -0.30 -0.08 1.40 -0.12 -0.93 -4.99 117.98 113.18 1gdd s PHE 189 Ca -0.12 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.17 1gdd s PHE 189 Cb -0.16 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 1gdd s PHE 189 CO 0.06 -0.51 -0.06 0.99 -0.05 0.00 0.00 175.22 175.65 1gdd s THR 190 N -1.79 3.74 -0.18 -4.49 2.01 -1.26 -0.39 115.64 113.28 1gdd s THR 190 Ca -0.10 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1gdd s THR 190 Cb -0.02 -2.54 0.07 0.00 0.01 0.00 0.00 72.50 70.01 1gdd s THR 190 CO 0.03 0.58 0.41 0.12 -0.69 0.00 0.00 174.62 175.06 1gdd s PHE 191 N -0.62 -0.66 -1.58 4.92 5.36 -0.36 -4.86 117.98 120.17 1gdd s PHE 191 Ca 0.09 1.35 -0.03 0.00 -0.96 0.00 0.00 56.93 57.38 1gdd s PHE 191 Cb -0.12 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 1gdd s PHE 191 CO 0.02 -0.39 0.42 1.63 -1.46 0.00 0.00 175.22 175.44 1gdd n LYS 192 N 4.70 -3.88 -1.61 10.12 5.02 -1.26 -1.69 118.16 129.55 1gdd n LYS 192 Ca -0.18 0.92 -0.14 0.00 -2.02 0.00 0.00 58.31 56.89 1gdd n LYS 192 Cb 0.53 -5.68 -0.05 0.00 -0.02 0.00 0.00 35.03 29.81 1gdd n LYS 192 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1gdd n ASP 193 N -2.25 -4.67 -4.68 4.39 2.03 -1.26 -5.02 116.55 105.10 1gdd n ASP 193 Ca -0.15 0.27 -0.35 0.00 0.52 0.00 0.00 54.79 55.09 1gdd n ASP 193 Cb 0.64 -3.53 -0.09 0.00 -0.72 0.00 0.00 41.12 37.41 1gdd n ASP 193 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1gdd s LEU 194 N -3.49 3.62 -0.48 -2.67 1.43 -0.68 -4.43 118.68 111.97 1gdd s LEU 194 Ca 0.00 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1gdd s LEU 194 Cb 0.00 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.50 1gdd s LEU 194 CO 0.00 0.35 0.37 -1.00 0.23 0.00 0.00 176.35 176.30 1gdd s HIS 195 N -0.70 3.39 0.01 0.29 3.76 -0.20 -1.22 115.29 120.62 1gdd s HIS 195 Ca 0.11 -1.73 -0.25 0.00 -0.15 0.00 0.00 55.06 53.04 1gdd s HIS 195 Cb -0.12 -3.52 -0.05 0.00 1.11 0.00 0.00 32.58 30.00 1gdd s HIS 195 CO 0.02 -0.99 0.77 -0.06 -0.85 0.00 0.00 174.74 173.64 1gdd s PHE 196 N 1.41 3.69 -0.31 1.40 0.40 0.47 -1.30 117.98 123.76 1gdd s PHE 196 Ca 0.05 1.45 -0.02 0.00 -0.60 0.00 0.00 56.93 57.80 1gdd s PHE 196 Cb -0.27 -2.85 0.05 0.00 0.51 0.00 0.00 43.02 40.46 1gdd s PHE 196 CO 0.00 0.20 0.02 0.15 0.70 0.00 0.00 175.22 176.29 1gdd s LYS 197 N 0.26 2.45 -0.19 0.44 -0.14 0.75 -2.18 119.74 121.13 1gdd s LYS 197 Ca 0.40 -1.26 -0.06 0.00 -1.36 0.00 0.00 55.97 53.69 1gdd s LYS 197 Cb -0.20 -3.22 -0.03 0.00 -1.68 0.00 0.00 37.83 32.70 1gdd s LYS 197 CO 0.22 -0.63 0.02 1.41 -0.76 0.00 0.00 175.35 175.61 1gdd s MET 198 N 1.27 3.76 -0.23 1.68 1.75 0.21 -0.71 119.30 127.02 1gdd s MET 198 Ca -0.05 -0.46 -0.01 0.00 -1.25 0.00 0.00 55.69 53.93 1gdd s MET 198 Cb -0.20 -3.11 0.02 0.00 2.84 0.00 0.00 34.83 34.39 1gdd s MET 198 CO -0.01 0.14 -0.10 -0.06 -0.65 0.00 0.00 175.02 174.35 1gdd s PHE 199 N 0.69 3.01 -0.73 4.11 0.40 0.59 0.13 117.98 126.18 1gdd s PHE 199 Ca 0.01 -1.60 -0.18 0.00 -0.60 0.00 0.00 56.93 54.56 1gdd s PHE 199 Cb -0.14 -2.02 0.13 0.00 0.51 0.00 0.00 43.02 41.50 1gdd s PHE 199 CO 0.02 -0.75 0.85 0.34 0.70 0.00 0.00 175.22 176.38 1gdd s ASP 200 N 1.31 6.41 -0.05 1.36 2.15 -0.22 -0.45 116.67 127.18 1gdd s ASP 200 Ca 0.01 -1.79 -0.02 0.00 0.43 0.00 0.00 52.55 51.18 1gdd s ASP 200 Cb -0.16 -2.32 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1gdd s ASP 200 CO -0.06 -1.03 -0.03 -0.37 -0.17 0.00 0.00 175.17 173.50 1gdd h VAL 201 N 5.70 0.00 0.00 1.11 -1.51 -1.84 -2.50 116.25 117.21 1gdd h VAL 201 Ca -0.10 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1gdd h VAL 201 Cb 1.06 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1gdd h VAL 201 CO 1.05 0.00 0.00 0.52 -1.23 0.00 0.00 177.57 177.91 1gdd n VAL 218 N -3.16 0.00 0.02 7.19 0.31 -1.26 -4.84 118.33 116.59 1gdd n VAL 218 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.13 1gdd n VAL 218 Cb 0.05 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.85 1gdd n VAL 218 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1gdd h THR 219 N 0.00 1.47 -3.45 2.52 2.02 -0.62 -3.41 112.91 111.44 1gdd h THR 219 Ca 0.00 -2.26 -0.06 0.00 0.77 0.00 0.00 66.41 64.86 1gdd h THR 219 Cb 0.00 2.85 -0.13 0.00 -1.74 0.00 0.00 68.15 69.14 1gdd h THR 219 CO 0.00 0.65 -0.11 0.00 0.37 0.00 0.00 175.52 176.43 1gdd s ALA 220 N -2.89 -0.83 -0.05 6.16 0.00 -1.13 -1.81 121.76 121.22 1gdd s ALA 220 Ca -0.13 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1gdd s ALA 220 Cb 0.02 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 1gdd s ALA 220 CO 0.82 -0.64 -0.19 0.42 0.00 0.00 0.00 175.76 176.18 1gdd s ILE 221 N -3.82 1.56 -0.26 0.00 1.01 0.40 -2.00 121.20 118.08 1gdd s ILE 221 Ca 0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1gdd s ILE 221 Cb 0.02 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.17 1gdd s ILE 221 CO -0.11 0.45 -0.02 -0.63 0.00 0.00 0.00 174.94 174.62 1gdd s ILE 222 N 0.09 3.17 -0.32 2.92 1.01 -0.44 -0.43 121.20 127.20 1gdd s ILE 222 Ca -0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1gdd s ILE 222 Cb -0.13 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1gdd s ILE 222 CO 0.03 0.15 0.23 0.12 0.00 0.00 0.00 174.94 175.46 1gdd s PHE 223 N 1.37 3.23 0.01 3.97 5.36 0.38 -0.39 117.98 131.90 1gdd s PHE 223 Ca 0.00 -0.09 -0.10 0.00 -0.96 0.00 0.00 56.93 55.78 1gdd s PHE 223 Cb -0.17 -2.45 -0.05 0.00 -0.34 0.00 0.00 43.02 40.01 1gdd s PHE 223 CO -0.02 -0.29 0.33 0.00 -1.46 0.00 0.00 175.22 173.78 1gdd s VAL 225 N -1.22 1.09 -0.77 0.00 1.01 -0.43 -3.67 120.40 116.40 1gdd s VAL 225 Ca 0.26 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1gdd s VAL 225 Cb -0.14 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.23 1gdd s VAL 225 CO 0.14 0.36 1.21 0.00 0.00 0.00 0.00 175.10 176.82 1gdd s ALA 226 N 1.23 2.88 0.32 5.51 0.00 -1.26 0.13 121.76 130.57 1gdd s ALA 226 Ca -0.04 -1.71 0.09 0.00 0.00 0.00 0.00 51.96 50.30 1gdd s ALA 226 Cb -0.14 -4.18 0.91 0.00 0.00 0.00 0.00 23.12 19.71 1gdd s ALA 226 CO -0.03 -3.18 1.69 -0.07 0.00 0.00 0.00 175.76 174.17 1gdd h LEU 227 N 12.39 0.48 0.00 0.00 3.38 -0.88 -2.33 115.31 128.35 1gdd h LEU 227 Ca -0.18 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gdd h LEU 227 Cb 1.05 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1gdd h LEU 227 CO 1.27 -0.03 0.00 -1.54 0.09 0.00 0.00 178.44 178.22 1gdd n SER 228 N -5.01 0.00 0.00 -0.43 3.41 -1.26 -3.16 113.62 107.17 1gdd n SER 228 Ca 0.27 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1gdd n SER 228 Cb 0.81 -0.37 0.71 0.00 -0.26 0.00 0.00 64.21 65.11 1gdd n SER 228 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gdd n ASP 229 N -1.37 0.00 -0.21 4.04 9.92 -0.88 -4.08 116.55 123.97 1gdd n ASP 229 Ca 0.06 -0.99 -0.07 0.00 -0.53 0.00 0.00 54.79 53.26 1gdd n ASP 229 Cb 0.14 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1gdd n ASP 229 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1gdd h TYR 230 N 0.00 0.88 -0.11 1.24 -0.00 -1.78 -3.09 116.97 114.11 1gdd h TYR 230 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.73 58.68 1gdd h TYR 230 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 36.73 36.46 1gdd h TYR 230 CO 0.00 0.68 0.00 -0.40 -0.00 0.00 0.00 178.16 178.44 1gdd n ASP 231 N -4.50 1.84 -4.59 0.10 5.75 -1.26 -3.72 116.55 110.17 1gdd n ASP 231 Ca 0.04 -1.67 -0.42 0.00 -0.01 0.00 0.00 54.79 52.73 1gdd n ASP 231 Cb 0.14 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1gdd n ASP 231 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1gdd s LEU 232 N -1.78 3.49 -0.02 -2.12 1.43 -1.17 -4.90 118.68 113.61 1gdd s LEU 232 Ca 0.35 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1gdd s LEU 232 Cb 0.20 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 43.12 1gdd s LEU 232 CO 0.30 -1.66 0.01 -0.69 0.23 0.00 0.00 176.35 174.54 1gdd s VAL 233 N 6.30 0.10 0.82 -1.59 1.01 -1.21 -4.61 120.40 121.21 1gdd s VAL 233 Ca 0.64 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 1gdd s VAL 233 Cb -0.15 -0.19 -0.12 0.00 0.00 0.00 0.00 36.38 35.92 1gdd s VAL 233 CO 0.30 0.11 -0.66 0.80 0.00 0.00 0.00 175.10 175.65 1gdd n MET 240 N 3.96 0.00 -1.86 2.72 0.00 -1.26 -4.41 117.12 116.27 1gdd n MET 240 Ca -0.25 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.05 1gdd n MET 240 Cb 0.52 -0.82 0.01 0.00 0.00 0.00 0.00 33.22 32.92 1gdd n MET 240 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1gdd s ASN 241 N -0.82 6.10 0.10 6.12 3.84 -1.26 -4.87 114.94 124.14 1gdd s ASN 241 Ca 0.33 2.90 -0.23 0.00 0.21 0.00 0.00 52.86 56.07 1gdd s ASN 241 Cb -0.15 -2.65 -0.13 0.00 -0.55 0.00 0.00 41.25 37.76 1gdd s ASN 241 CO 0.68 -1.02 1.72 0.03 -2.79 0.00 0.00 177.10 175.72 1gdd h ARG 242 N 2.60 -0.09 -0.83 0.43 2.47 -1.81 -0.03 114.38 117.11 1gdd h ARG 242 Ca -0.51 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.24 1gdd h ARG 242 Cb 1.25 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.55 1gdd h ARG 242 CO 0.62 -0.06 0.55 1.98 0.56 0.00 0.00 179.97 183.62 1gdd h MET 243 N -0.09 1.07 0.00 0.04 4.05 -1.89 -1.96 114.93 116.15 1gdd h MET 243 Ca 0.01 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 1gdd h MET 243 Cb 0.10 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 1gdd h MET 243 CO -0.03 0.71 -0.40 0.45 0.23 0.00 0.00 176.91 177.87 1gdd h HIS 244 N 1.10 0.00 0.00 1.39 3.86 -1.89 -1.42 115.15 118.19 1gdd h HIS 244 Ca 0.31 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.38 1gdd h HIS 244 Cb -0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1gdd h HIS 244 CO -0.02 0.40 -0.66 0.93 0.86 0.00 0.00 177.93 179.45 1gdd h GLU 245 N 0.00 0.00 -0.11 2.45 4.39 -0.44 -1.08 114.58 119.80 1gdd h GLU 245 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1gdd h GLU 245 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1gdd h GLU 245 CO 0.05 0.66 -0.35 1.03 -1.16 0.00 0.00 179.01 179.24 1gdd h SER 246 N 0.00 0.49 -0.45 1.42 0.87 -0.97 -1.81 113.55 113.11 1gdd h SER 246 Ca -0.01 -0.61 0.02 0.00 -1.23 0.00 0.00 61.79 59.96 1gdd h SER 246 Cb 1.20 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1gdd h SER 246 CO 0.09 1.02 0.27 0.24 -0.53 0.00 0.00 176.83 177.91 1gdd h MET 247 N -0.00 0.53 -0.80 2.24 2.86 -1.28 0.27 114.93 118.75 1gdd h MET 247 Ca -0.01 -0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 1gdd h MET 247 Cb 0.98 -0.12 -0.10 0.00 0.06 0.00 0.00 31.60 32.42 1gdd h MET 247 CO 0.07 0.35 0.35 -0.22 1.06 0.00 0.00 176.91 178.52 1gdd h LYS 248 N 0.55 0.47 0.10 1.72 3.64 -1.10 0.35 116.57 122.30 1gdd h LYS 248 Ca 0.17 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.24 1gdd h LYS 248 Cb -0.01 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1gdd h LYS 248 CO -0.07 0.31 -1.20 1.25 -2.27 0.00 0.00 179.45 177.47 1gdd h LEU 249 N 0.48 0.72 -0.34 5.20 5.85 -0.69 -2.97 115.31 123.56 1gdd h LEU 249 Ca 0.45 -0.67 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1gdd h LEU 249 Cb 0.69 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1gdd h LEU 249 CO -0.41 1.49 0.18 0.15 -0.34 0.00 0.00 178.44 179.51 1gdd h PHE 250 N 0.23 0.48 -0.64 1.25 3.57 0.59 -0.77 116.94 121.64 1gdd h PHE 250 Ca -0.16 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.42 1gdd h PHE 250 Cb 1.87 -0.15 -0.11 0.00 2.79 0.00 0.00 35.95 40.34 1gdd h PHE 250 CO 0.09 0.40 -0.42 0.22 -2.23 0.00 0.00 178.31 176.38 1gdd h ASP 251 N 0.43 -1.46 -0.42 0.41 1.82 -0.34 0.44 116.42 117.30 1gdd h ASP 251 Ca 0.12 0.25 -0.03 0.00 -0.39 0.00 0.00 57.03 56.99 1gdd h ASP 251 Cb 0.09 0.68 -0.02 0.00 0.68 0.00 0.00 39.33 40.76 1gdd h ASP 251 CO -0.02 -0.32 0.16 0.77 -1.61 0.00 0.00 179.24 178.22 1gdd h SER 252 N -0.18 0.59 0.87 2.28 4.64 -1.32 -2.40 113.55 118.02 1gdd h SER 252 Ca 0.21 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1gdd h SER 252 Cb 0.56 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1gdd h SER 252 CO -0.73 0.60 -0.42 0.40 -0.87 0.00 0.00 176.83 175.82 1gdd h ILE 253 N 0.54 0.12 0.00 0.95 1.08 -0.24 -1.77 117.51 118.19 1gdd h ILE 253 Ca 0.14 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.54 1gdd h ILE 253 Cb 0.20 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 1gdd h ILE 253 CO -0.01 0.00 -0.17 0.00 -0.69 0.00 0.00 178.15 177.28 1gdd n ASN 255 N -3.41 1.14 -4.75 0.00 3.02 -0.90 -4.86 115.26 105.50 1gdd n ASN 255 Ca -0.00 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.77 1gdd n ASN 255 Cb 0.36 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 1gdd n ASN 255 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1gdd s ASN 256 N -2.01 6.99 0.36 6.41 3.84 -0.60 -4.92 114.94 125.01 1gdd s ASN 256 Ca 0.40 2.42 0.04 0.00 0.21 0.00 0.00 52.86 55.92 1gdd s ASN 256 Cb 0.21 -2.62 0.69 0.00 -0.55 0.00 0.00 41.25 38.98 1gdd s ASN 256 CO 0.35 -0.40 2.00 0.07 -2.79 0.00 0.00 177.10 176.32 1gdd h LYS 257 N 4.41 0.70 -0.59 0.43 -0.00 -1.90 -0.71 116.57 118.91 1gdd h LYS 257 Ca -0.46 -0.06 0.02 0.00 -0.00 0.00 0.00 60.65 60.14 1gdd h LYS 257 Cb 1.22 -0.15 -0.03 0.00 -0.00 0.00 0.00 32.23 33.27 1gdd h LYS 257 CO 0.71 0.50 0.39 -1.49 -0.00 0.00 0.00 179.45 179.56 1gdd h TRP 258 N 0.71 0.70 -0.39 0.07 -0.00 -1.95 -1.80 115.95 113.29 1gdd h TRP 258 Ca 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.09 1gdd h TRP 258 Cb -0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 29.16 28.92 1gdd h TRP 258 CO 0.00 0.43 0.00 1.19 -0.00 0.00 0.00 178.44 180.06 1gdd n PHE 259 N -4.46 0.52 -0.33 0.49 3.72 -0.28 -4.33 117.46 112.79 1gdd n PHE 259 Ca 0.06 -0.26 0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1gdd n PHE 259 Cb 0.09 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 38.90 1gdd n PHE 259 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1gdd h THR 260 N 2.35 0.73 -0.69 4.37 2.02 -1.23 0.28 112.91 120.74 1gdd h THR 260 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1gdd h THR 260 Cb 0.54 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1gdd h THR 260 CO 0.00 0.13 0.00 0.47 0.37 0.00 0.00 175.52 176.49 1gdd n ASP 261 N -4.79 4.41 -4.84 4.18 8.00 -1.26 -4.94 116.55 117.30 1gdd n ASP 261 Ca 0.21 -2.25 -0.34 0.00 0.71 0.00 0.00 54.79 53.11 1gdd n ASP 261 Cb 0.50 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1gdd n ASP 261 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1gdd s THR 262 N -1.49 5.16 -0.25 -3.53 2.01 0.09 -4.96 115.64 112.67 1gdd s THR 262 Ca 0.50 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 1gdd s THR 262 Cb 0.30 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.48 1gdd s THR 262 CO 0.29 0.43 1.03 -0.44 -0.69 0.00 0.00 174.62 175.24 1gdd s SER 263 N -1.56 7.04 -0.41 3.53 0.01 -0.75 -4.93 113.70 116.63 1gdd s SER 263 Ca 0.22 1.28 -0.19 0.00 1.31 0.00 0.00 55.95 58.57 1gdd s SER 263 Cb -0.12 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.59 1gdd s SER 263 CO 0.12 -0.70 0.54 -0.63 0.41 0.00 0.00 173.24 172.98 1gdd s ILE 264 N 3.26 4.97 -0.17 1.44 -1.09 -1.26 -0.45 121.20 127.89 1gdd s ILE 264 Ca 0.43 -0.02 -0.05 0.00 -2.23 0.00 0.00 60.65 58.79 1gdd s ILE 264 Cb -0.14 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1gdd s ILE 264 CO 0.08 -0.45 0.01 -0.63 -1.23 0.00 0.00 174.94 172.72 1gdd s ILE 265 N 2.47 4.27 -0.24 2.92 1.09 0.43 -0.99 121.20 131.14 1gdd s ILE 265 Ca 0.18 -0.22 -0.05 0.00 -1.10 0.00 0.00 60.65 59.45 1gdd s ILE 265 Cb -0.15 -2.90 -0.02 0.00 -1.06 0.00 0.00 42.46 38.33 1gdd s ILE 265 CO 0.16 0.47 0.01 -0.22 -0.10 0.00 0.00 174.94 175.26 1gdd s LEU 266 N 0.42 3.17 -0.37 2.97 2.96 0.80 -0.47 118.68 128.16 1gdd s LEU 266 Ca -0.01 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1gdd s LEU 266 Cb -0.13 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1gdd s LEU 266 CO 0.02 -0.04 0.23 -0.36 -1.32 0.00 0.00 176.35 174.88 1gdd s PHE 267 N 1.53 3.23 -0.81 5.38 0.40 -0.15 -0.14 117.98 127.42 1gdd s PHE 267 Ca 0.06 -0.70 -0.17 0.00 -0.60 0.00 0.00 56.93 55.51 1gdd s PHE 267 Cb -0.15 -2.47 0.16 0.00 0.51 0.00 0.00 43.02 41.07 1gdd s PHE 267 CO -0.00 -0.56 0.89 -0.51 0.70 0.00 0.00 175.22 175.73 1gdd s LEU 268 N 1.62 5.79 0.57 -0.37 1.43 0.16 -1.32 118.68 126.56 1gdd s LEU 268 Ca 0.04 -2.14 -0.01 0.00 -1.03 0.00 0.00 54.13 50.98 1gdd s LEU 268 Cb -0.19 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.76 1gdd s LEU 268 CO 0.08 -0.89 0.82 0.21 0.23 0.00 0.00 176.35 176.80 1gdd s ASN 269 N 3.07 5.33 -1.16 2.29 2.47 0.12 0.12 114.94 127.18 1gdd s ASN 269 Ca 0.22 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.73 1gdd s ASN 269 Cb -0.11 -1.15 0.00 0.00 -1.45 0.00 0.00 41.25 38.54 1gdd s ASN 269 CO -0.06 -1.14 0.00 0.29 -3.72 0.00 0.00 177.10 172.48 1gdd n LYS 270 N -2.44 -1.01 0.29 0.43 5.02 -0.52 -0.23 118.16 119.71 1gdd n LYS 270 Ca 0.06 0.70 0.18 0.00 -2.02 0.00 0.00 58.31 57.23 1gdd n LYS 270 Cb 0.59 -4.88 0.99 0.00 -0.02 0.00 0.00 35.03 31.71 1gdd n LYS 270 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1gdd h LYS 271 N 0.00 0.00 -0.18 1.97 2.10 -1.52 0.56 116.57 119.50 1gdd h LYS 271 Ca -0.30 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.14 1gdd h LYS 271 Cb 1.15 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.49 1gdd h LYS 271 CO 0.37 0.00 -0.70 0.38 -2.00 0.00 0.00 179.45 177.50 1gdd h ASP 272 N 0.00 0.92 0.10 7.07 2.03 -1.89 0.08 116.42 124.74 1gdd h ASP 272 Ca 0.02 -0.61 -0.25 0.00 -0.73 0.00 0.00 57.03 55.46 1gdd h ASP 272 Cb 0.19 -0.27 0.02 0.00 -0.83 0.00 0.00 39.33 38.43 1gdd h ASP 272 CO -0.00 1.38 -1.01 -0.07 -1.03 0.00 0.00 179.24 178.51 1gdd h LEU 273 N 0.53 0.80 -0.66 0.15 3.38 -1.44 -3.15 115.31 114.92 1gdd h LEU 273 Ca -0.04 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 1gdd h LEU 273 Cb 1.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1gdd h LEU 273 CO 0.15 1.44 0.40 0.15 0.09 0.00 0.00 178.44 180.67 1gdd h PHE 274 N 0.35 0.87 0.11 1.13 3.57 -0.96 -0.61 116.94 121.39 1gdd h PHE 274 Ca -0.11 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.40 1gdd h PHE 274 Cb 1.66 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 1gdd h PHE 274 CO 0.09 0.59 -0.20 1.49 -2.23 0.00 0.00 178.31 178.05 1gdd h GLU 275 N 0.89 -0.37 -0.28 1.11 4.81 -0.97 0.25 114.58 120.03 1gdd h GLU 275 Ca 0.24 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1gdd h GLU 275 Cb -0.02 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1gdd h GLU 275 CO -0.04 -0.25 -0.27 1.49 -0.73 0.00 0.00 179.01 179.21 1gdd h GLU 276 N -0.39 0.55 -0.41 1.92 4.22 -1.49 -3.06 114.58 115.92 1gdd h GLU 276 Ca 0.03 -0.22 -0.14 0.00 0.08 0.00 0.00 59.36 59.11 1gdd h GLU 276 Cb 0.41 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1gdd h GLU 276 CO -0.12 0.77 -0.28 -0.22 -2.18 0.00 0.00 179.01 176.98 1gdd h LYS 277 N 0.48 0.92 0.00 1.92 3.64 -0.81 -2.80 116.57 119.92 1gdd h LYS 277 Ca 0.07 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1gdd h LYS 277 Cb 0.72 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1gdd h LYS 277 CO 0.05 1.09 0.00 0.97 -2.27 0.00 0.00 179.45 179.30 1gdd h ILE 278 N 0.75 0.00 -0.32 2.00 6.09 -0.40 -0.50 117.51 125.12 1gdd h ILE 278 Ca 0.08 -0.13 0.03 0.00 -1.37 0.00 0.00 64.86 63.47 1gdd h ILE 278 Cb 0.86 0.98 -0.03 0.00 0.47 0.00 0.00 36.82 39.10 1gdd h ILE 278 CO 0.08 0.00 0.15 0.11 -3.07 0.00 0.00 178.15 175.41 1gdd h LYS 279 N 0.00 0.30 0.00 2.19 1.57 -1.49 -3.31 116.57 115.84 1gdd h LYS 279 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1gdd h LYS 279 Cb 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1gdd h LYS 279 CO 0.00 0.20 -0.41 1.63 -0.57 0.00 0.00 179.45 180.30 1gdd n LYS 280 N -4.97 4.19 -4.17 3.15 5.02 -1.05 -4.99 118.16 115.34 1gdd n LYS 280 Ca -0.00 -0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1gdd n LYS 280 Cb 0.09 -0.89 -0.09 0.00 -0.02 0.00 0.00 35.03 34.12 1gdd n LYS 280 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1gdd s SER 281 N -1.80 4.83 -0.10 4.39 0.15 -0.22 -5.11 113.70 115.83 1gdd s SER 281 Ca 0.03 -0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.41 1gdd s SER 281 Cb 0.06 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.25 1gdd s SER 281 CO 0.34 0.18 0.05 -2.16 1.20 0.00 0.00 173.24 172.85 1gdd s PRO 282 N -2.23 3.18 0.54 5.44 0.04 -1.26 -4.53 135.00 136.17 1gdd s PRO 282 Ca 0.24 -0.30 0.25 0.00 0.04 0.00 0.00 61.00 61.22 1gdd s PRO 282 Cb -0.11 -2.95 1.42 0.00 0.04 0.00 0.00 34.50 32.89 1gdd s PRO 282 CO 0.16 0.72 2.02 1.25 0.04 0.00 0.00 177.00 181.19 1gdd h LEU 283 N 5.14 0.00 -2.32 -3.56 5.85 -1.92 0.43 115.31 118.93 1gdd h LEU 283 Ca -0.52 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.24 1gdd h LEU 283 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1gdd h LEU 283 CO 0.56 0.00 0.16 0.71 -0.34 0.00 0.00 178.44 179.53 1gdd h THR 284 N 0.00 0.41 -0.92 1.05 1.35 -1.87 0.17 112.91 113.10 1gdd h THR 284 Ca 0.21 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.18 1gdd h THR 284 Cb 0.86 0.87 -0.08 0.00 -1.73 0.00 0.00 68.15 68.06 1gdd h THR 284 CO -0.00 0.00 0.55 0.40 -0.25 0.00 0.00 175.52 176.22 1gdd h ILE 285 N 0.00 0.89 0.00 6.82 2.04 -1.24 -1.87 117.51 124.16 1gdd h ILE 285 Ca 0.06 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 1gdd h ILE 285 Cb 0.38 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1gdd h ILE 285 CO -0.00 0.16 -0.70 0.00 0.00 0.00 0.00 178.15 177.61 1gdd s TYR 287 N -2.25 3.23 0.39 0.00 2.02 -0.27 -4.98 117.35 115.49 1gdd s TYR 287 Ca -0.22 -3.19 0.12 0.00 -0.37 0.00 0.00 57.07 53.40 1gdd s TYR 287 Cb 0.02 -2.76 0.92 0.00 -0.40 0.00 0.00 41.96 39.74 1gdd s TYR 287 CO 0.55 -0.70 1.90 -1.00 -1.57 0.00 0.00 175.55 174.72 1gdd h PRO 288 N 6.25 0.55 0.00 -1.71 0.13 -1.57 -0.82 132.00 134.83 1gdd h PRO 288 Ca -0.03 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1gdd h PRO 288 Cb 0.86 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1gdd h PRO 288 CO 0.69 0.36 0.00 -0.85 -0.23 0.00 0.00 178.00 177.97 1gdd n GLU 289 N -4.52 0.16 -1.74 0.86 0.00 -1.26 -4.81 120.64 109.33 1gdd n GLU 289 Ca 0.16 0.13 -0.42 0.00 0.00 0.00 0.00 57.16 57.03 1gdd n GLU 289 Cb 0.49 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.40 1gdd n GLU 289 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1gdd s TYR 290 N -2.75 2.43 0.00 -1.84 5.04 -0.31 -4.88 117.35 115.04 1gdd s TYR 290 Ca 0.15 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 1gdd s TYR 290 Cb 0.13 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1gdd s TYR 290 CO 0.32 -4.60 0.47 0.00 -1.34 0.00 0.00 175.55 170.40 1gdd n ALA 291 N 5.07 2.42 -1.41 3.97 0.00 -1.26 -4.80 120.51 124.50 1gdd n ALA 291 Ca 0.17 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 1gdd n ALA 291 Cb 0.37 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.01 1gdd n ALA 291 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gdd s GLY 292 N -0.04 1.62 0.47 0.00 0.00 -1.26 -4.99 107.32 103.11 1gdd s GLY 292 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 44.72 43.69 1gdd s GLY 292 CO 0.00 -0.07 1.22 -0.56 0.00 0.00 0.00 173.10 173.69 1gdd s SER 293 N -4.08 6.01 -1.30 1.64 0.01 -1.26 -4.90 113.70 109.82 1gdd s SER 293 Ca 0.69 2.44 -0.14 0.00 1.31 0.00 0.00 55.95 60.25 1gdd s SER 293 Cb -0.11 -2.61 0.12 0.00 0.21 0.00 0.00 66.02 63.62 1gdd s SER 293 CO 0.55 -1.04 1.76 0.59 0.41 0.00 0.00 173.24 175.51 1gdd n ASN 294 N -0.51 4.87 -4.41 2.44 3.02 -1.26 -4.13 115.26 115.28 1gdd n ASN 294 Ca 0.07 -2.96 -0.22 0.00 -0.03 0.00 0.00 54.58 51.44 1gdd n ASN 294 Cb 0.47 -1.62 -0.10 0.00 -0.61 0.00 0.00 39.78 37.92 1gdd n ASN 294 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1gdd s THR 295 N 2.40 2.15 0.17 3.41 -4.23 -1.26 -4.87 115.64 113.40 1gdd s THR 295 Ca 0.46 -2.30 -0.14 0.00 -1.18 0.00 0.00 61.69 58.53 1gdd s THR 295 Cb 0.05 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 71.77 1gdd s THR 295 CO 0.01 -0.47 1.79 0.22 -0.54 0.00 0.00 174.62 175.63 1gdd h TYR 296 N 2.46 0.45 0.34 3.99 3.20 -1.91 0.12 116.97 125.61 1gdd h TYR 296 Ca -0.39 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 1gdd h TYR 296 Cb 1.24 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1gdd h TYR 296 CO 0.76 0.23 -0.24 0.93 -1.64 0.00 0.00 178.16 178.20 1gdd h GLU 297 N 0.48 -0.56 -0.27 1.82 3.07 -1.96 -0.48 114.58 116.69 1gdd h GLU 297 Ca 0.20 0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.91 1gdd h GLU 297 Cb 0.09 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1gdd h GLU 297 CO -0.13 -0.37 -0.58 0.93 -1.40 0.00 0.00 179.01 177.46 1gdd h GLU 298 N -0.58 0.86 -0.25 2.33 5.08 -1.81 -2.08 114.58 118.12 1gdd h GLU 298 Ca -0.03 -0.56 -0.06 0.00 -1.00 0.00 0.00 59.36 57.71 1gdd h GLU 298 Cb 0.50 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1gdd h GLU 298 CO 0.00 1.19 -0.08 0.00 -1.00 0.00 0.00 179.01 179.13 1gdd h ALA 299 N 0.69 0.35 -0.35 3.43 0.00 -0.95 -1.66 119.26 120.77 1gdd h ALA 299 Ca 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1gdd h ALA 299 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1gdd h ALA 299 CO 0.13 0.17 0.01 0.00 0.00 0.00 0.00 179.25 179.56 1gdd h ALA 300 N 0.76 0.47 -0.68 0.00 0.00 -1.16 -2.46 119.26 116.19 1gdd h ALA 300 Ca 0.06 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1gdd h ALA 300 Cb 0.55 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1gdd h ALA 300 CO 0.03 0.22 0.38 0.00 0.00 0.00 0.00 179.25 179.87 1gdd h ALA 301 N 0.87 0.92 -0.10 0.00 0.00 -1.38 -2.30 119.26 117.27 1gdd h ALA 301 Ca 0.10 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1gdd h ALA 301 Cb 0.43 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1gdd h ALA 301 CO 0.02 0.05 -0.22 -0.92 0.00 0.00 0.00 179.25 178.17 1gdd h TYR 302 N 0.69 -0.59 -0.01 0.00 3.20 -1.05 -0.92 116.97 118.28 1gdd h TYR 302 Ca 0.31 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.22 1gdd h TYR 302 Cb 0.21 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1gdd h TYR 302 CO -0.08 -0.31 -0.07 0.82 -1.64 0.00 0.00 178.16 176.88 1gdd h ILE 303 N -0.30 0.82 -0.42 1.81 2.04 -1.20 0.95 117.51 121.22 1gdd h ILE 303 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1gdd h ILE 303 Cb 0.43 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1gdd h ILE 303 CO -0.28 0.00 -0.14 -0.61 0.00 0.00 0.00 178.15 177.13 1gdd h GLN 304 N -0.12 -0.04 -0.77 2.37 4.15 -1.29 0.36 115.11 119.78 1gdd h GLN 304 Ca 0.03 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.50 1gdd h GLN 304 Cb 0.16 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 1gdd h GLN 304 CO -0.08 -0.03 0.47 0.00 -1.93 0.00 0.00 178.83 177.27 1gdd h GLN 306 N 0.90 0.90 -0.01 0.00 1.08 0.11 -1.27 115.11 116.82 1gdd h GLN 306 Ca 0.32 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 1gdd h GLN 306 Cb 0.10 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1gdd h GLN 306 CO -0.14 0.60 -0.09 0.74 -0.95 0.00 0.00 178.83 178.98 1gdd h PHE 307 N 0.93 0.11 0.00 2.96 -1.00 -0.53 -3.28 116.94 116.12 1gdd h PHE 307 Ca 0.38 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1gdd h PHE 307 Cb 0.21 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1gdd h PHE 307 CO -0.04 0.78 0.00 0.93 -1.61 0.00 0.00 178.31 178.38 1gdd h GLU 308 N -0.60 0.00 0.00 1.51 5.08 -1.20 -1.50 114.58 117.87 1gdd h GLU 308 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1gdd h GLU 308 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1gdd h GLU 308 CO 0.02 0.00 -0.11 0.22 -1.00 0.00 0.00 179.01 178.13 1gdd h ASP 309 N 0.00 0.00 0.83 1.42 3.58 -1.29 -2.69 116.42 118.27 1gdd h ASP 309 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1gdd h ASP 309 Cb 0.33 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 1gdd h ASP 309 CO 0.00 0.11 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.40 1gdd h LEU 310 N 0.00 0.00 -9.03 2.28 3.38 -1.39 -3.43 115.31 107.12 1gdd h LEU 310 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1gdd h LEU 310 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1gdd h LEU 310 CO 0.01 0.01 1.38 0.21 0.09 0.00 0.00 178.44 180.14 1gdd s ASN 311 N -5.62 5.77 0.00 -0.43 2.47 -1.02 -4.85 114.94 111.26 1gdd s ASN 311 Ca -0.00 1.91 0.26 0.00 0.42 0.00 0.00 52.86 55.45 1gdd s ASN 311 Cb 0.10 -2.52 1.21 0.00 -1.45 0.00 0.00 41.25 38.58 1gdd s ASN 311 CO 0.52 -1.70 1.82 0.29 -3.72 0.00 0.00 177.10 174.31 1gdd n LYS 312 N 8.40 1.42 -2.97 0.43 5.02 -1.26 -4.02 118.16 125.18 1gdd n LYS 312 Ca 0.26 -0.62 -0.19 0.00 -2.02 0.00 0.00 58.31 55.74 1gdd n LYS 312 Cb 0.45 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 1gdd n LYS 312 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gdd n ARG 313 N -0.22 1.73 0.20 1.97 1.74 -1.26 -4.96 116.66 115.87 1gdd n ARG 313 Ca 0.19 -3.79 0.16 0.00 -0.77 0.00 0.00 57.85 53.64 1gdd n ARG 313 Cb 0.25 -1.79 0.80 0.00 -1.02 0.00 0.00 32.46 30.70 1gdd n ARG 313 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1gdd h LYS 314 N 2.96 0.00 0.01 5.56 1.57 -1.77 0.79 116.57 125.68 1gdd h LYS 314 Ca 0.09 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.63 1gdd h LYS 314 Cb 0.90 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1gdd h LYS 314 CO 0.60 0.00 -1.19 -0.44 -0.57 0.00 0.00 179.45 177.86 1gdd h ASP 315 N 0.00 0.02 0.31 0.86 5.19 -1.95 -3.35 116.42 117.50 1gdd h ASP 315 Ca 0.09 -0.02 -0.33 0.00 -0.62 0.00 0.00 57.03 56.15 1gdd h ASP 315 Cb 0.45 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 1gdd h ASP 315 CO -0.00 1.02 -1.87 0.41 -3.12 0.00 0.00 179.24 175.68 1gdd n THR 316 N -3.28 1.67 -5.15 0.35 -1.04 -0.54 -4.95 114.28 101.33 1gdd n THR 316 Ca -0.05 -0.74 -0.29 0.00 -2.04 0.00 0.00 64.05 60.94 1gdd n THR 316 Cb 0.97 -1.31 -0.16 0.00 -1.82 0.00 0.00 70.33 68.02 1gdd n THR 316 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1gdd s LYS 317 N -2.58 1.89 0.05 -2.82 2.20 0.26 -5.11 119.74 113.64 1gdd s LYS 317 Ca -0.13 -0.85 0.05 0.00 -0.36 0.00 0.00 55.97 54.68 1gdd s LYS 317 Cb 0.07 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.52 1gdd s LYS 317 CO 0.80 0.50 -0.07 -2.00 -0.36 0.00 0.00 175.35 174.22 1gdd s GLU 318 N -0.59 2.39 -0.09 4.03 2.12 -1.26 -4.42 118.70 120.88 1gdd s GLU 318 Ca 0.09 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 54.56 1gdd s GLU 318 Cb -0.09 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 1gdd s GLU 318 CO -0.01 0.56 -0.05 0.42 -0.54 0.00 0.00 175.26 175.64 1gdd s ILE 319 N -1.12 3.84 -0.55 -3.70 -1.09 -1.26 -4.54 121.20 112.78 1gdd s ILE 319 Ca 0.20 -0.42 -0.08 0.00 -2.23 0.00 0.00 60.65 58.12 1gdd s ILE 319 Cb -0.11 -2.60 0.14 0.00 -1.58 0.00 0.00 42.46 38.31 1gdd s ILE 319 CO 0.11 0.58 0.41 -0.31 -1.23 0.00 0.00 174.94 174.51 1gdd s TYR 320 N -0.60 3.48 -0.09 3.97 2.02 -0.16 -4.97 117.35 121.01 1gdd s TYR 320 Ca 0.09 -2.11 -0.15 0.00 -0.37 0.00 0.00 57.07 54.54 1gdd s TYR 320 Cb -0.12 -3.46 -0.05 0.00 -0.40 0.00 0.00 41.96 37.93 1gdd s TYR 320 CO 0.02 -0.96 0.36 0.99 -1.57 0.00 0.00 175.55 174.39 1gdd s THR 321 N 0.89 5.19 -0.01 -0.71 2.01 -1.26 -0.14 115.64 121.61 1gdd s THR 321 Ca 0.10 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1gdd s THR 321 Cb -0.23 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 1gdd s THR 321 CO -0.03 0.46 -0.06 -1.00 -0.69 0.00 0.00 174.62 173.31 1gdd s HIS 322 N -0.17 0.52 -0.28 4.92 3.76 0.80 -4.95 115.29 119.90 1gdd s HIS 322 Ca 0.21 -0.10 -0.20 0.00 -0.15 0.00 0.00 55.06 54.82 1gdd s HIS 322 Cb -0.15 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.18 1gdd s HIS 322 CO 0.09 -0.02 0.64 -0.06 -0.85 0.00 0.00 174.74 174.53 1gdd s PHE 323 N -0.05 3.25 0.28 1.40 0.40 -1.26 0.40 117.98 122.41 1gdd s PHE 323 Ca 0.01 0.71 0.08 0.00 -0.60 0.00 0.00 56.93 57.13 1gdd s PHE 323 Cb -0.03 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.51 1gdd s PHE 323 CO -0.00 -0.41 -0.09 0.95 0.70 0.00 0.00 175.22 176.37 1gdd s THR 324 N 2.57 1.89 -0.32 0.64 -4.23 0.12 -4.92 115.64 111.39 1gdd s THR 324 Ca 0.26 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1gdd s THR 324 Cb -0.15 -2.42 0.10 0.00 1.34 0.00 0.00 72.50 71.37 1gdd s THR 324 CO 0.10 -0.33 0.09 0.00 -0.54 0.00 0.00 174.62 173.94 1gdd h ALA 326 N 7.94 1.17 -0.00 0.00 0.00 -1.96 -1.71 119.26 124.71 1gdd h ALA 326 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gdd h ALA 326 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1gdd h ALA 326 CO 0.48 0.05 -0.21 0.25 0.00 0.00 0.00 179.25 179.82 1gdd n THR 327 N -3.38 0.00 -3.19 0.00 -2.24 -1.26 -4.62 114.28 99.59 1gdd n THR 327 Ca -0.02 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.24 1gdd n THR 327 Cb 0.16 0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1gdd n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gdd s ASP 328 N -2.62 6.19 0.41 3.42 -1.08 -0.64 -4.95 116.67 117.39 1gdd s ASP 328 Ca 0.23 -1.51 0.11 0.00 -0.52 0.00 0.00 52.55 50.86 1gdd s ASP 328 Cb 0.19 -2.27 0.93 0.00 -1.46 0.00 0.00 42.92 40.31 1gdd s ASP 328 CO 0.53 -1.00 1.96 0.74 0.52 0.00 0.00 175.17 177.93 1gdd h THR 329 N 5.90 0.92 -0.34 1.71 2.02 -1.83 -2.37 112.91 118.92 1gdd h THR 329 Ca -0.29 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.55 1gdd h THR 329 Cb 1.09 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1gdd h THR 329 CO 1.06 0.10 -0.40 0.50 0.37 0.00 0.00 175.52 177.15 1gdd h LYS 330 N 0.53 0.88 -0.47 6.66 3.64 -1.94 -0.96 116.57 124.91 1gdd h LYS 330 Ca 0.30 -0.48 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1gdd h LYS 330 Cb 0.48 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1gdd h LYS 330 CO -0.10 1.13 -0.03 -0.97 -2.27 0.00 0.00 179.45 177.21 1gdd h ASN 331 N 0.67 0.84 -0.40 4.20 -0.00 -1.77 -0.56 115.58 118.56 1gdd h ASN 331 Ca 0.05 -0.33 -0.13 0.00 -0.00 0.00 0.00 56.30 55.90 1gdd h ASN 331 Cb 0.99 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.07 1gdd h ASN 331 CO 0.10 0.97 -0.22 0.58 -0.00 0.00 0.00 177.43 178.85 1gdd h VAL 332 N 0.70 1.27 0.45 2.57 2.07 -1.38 0.35 116.25 122.28 1gdd h VAL 332 Ca 0.13 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1gdd h VAL 332 Cb 0.55 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1gdd h VAL 332 CO 0.03 0.47 -0.22 -0.61 0.02 0.00 0.00 177.57 177.26 1gdd h GLN 333 N 0.79 -0.59 -0.00 1.57 4.15 -1.01 0.56 115.11 120.58 1gdd h GLN 333 Ca 0.10 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.58 1gdd h GLN 333 Cb 0.77 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 1gdd h GLN 333 CO 0.06 -0.33 -0.46 0.35 -1.93 0.00 0.00 178.83 176.52 1gdd h PHE 334 N -0.72 -1.36 -0.74 3.99 3.57 -0.93 -0.77 116.94 119.97 1gdd h PHE 334 Ca -0.06 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1gdd h PHE 334 Cb 0.52 0.59 -0.07 0.00 2.79 0.00 0.00 35.95 39.78 1gdd h PHE 334 CO -0.02 -0.49 0.38 0.28 -2.23 0.00 0.00 178.31 176.22 1gdd h VAL 335 N -0.58 0.84 -0.06 1.41 2.07 -0.18 -2.25 116.25 117.50 1gdd h VAL 335 Ca 0.01 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 1gdd h VAL 335 Cb 0.62 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1gdd h VAL 335 CO -0.31 0.11 -0.39 0.15 0.02 0.00 0.00 177.57 177.16 1gdd h PHE 336 N 0.63 0.13 -0.76 1.57 3.57 0.65 0.13 116.94 122.86 1gdd h PHE 336 Ca 0.37 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1gdd h PHE 336 Cb 0.40 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1gdd h PHE 336 CO -0.10 0.49 0.33 0.22 -2.23 0.00 0.00 178.31 177.02 1gdd h ASP 337 N 0.10 1.02 0.14 0.41 1.82 -0.57 0.84 116.42 120.19 1gdd h ASP 337 Ca 0.01 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1gdd h ASP 337 Cb 0.73 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1gdd h ASP 337 CO 0.05 0.90 -0.07 0.00 -1.61 0.00 0.00 179.24 178.51 1gdd h ALA 338 N 1.17 -0.19 -1.00 -0.78 0.00 -0.96 -1.71 119.26 115.78 1gdd h ALA 338 Ca 0.26 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1gdd h ALA 338 Cb 0.17 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 1gdd h ALA 338 CO -0.03 -0.42 0.62 0.28 0.00 0.00 0.00 179.25 179.70 1gdd h VAL 339 N -0.56 0.86 -0.45 0.00 2.07 -0.61 -2.33 116.25 115.23 1gdd h VAL 339 Ca -0.02 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1gdd h VAL 339 Cb 0.43 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1gdd h VAL 339 CO 0.03 0.17 0.19 0.74 0.02 0.00 0.00 177.57 178.72 1gdd h THR 340 N 0.92 1.19 -0.27 2.57 2.02 -0.54 -2.43 112.91 116.37 1gdd h THR 340 Ca 0.52 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1gdd h THR 340 Cb 0.61 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1gdd h THR 340 CO -0.30 0.22 -0.05 0.44 0.37 0.00 0.00 175.52 176.20 1gdd h ASP 341 N 0.58 0.40 -0.50 4.18 3.32 -0.81 -1.81 116.42 121.78 1gdd h ASP 341 Ca 0.15 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1gdd h ASP 341 Cb 0.16 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1gdd h ASP 341 CO -0.02 0.50 0.25 0.58 -1.72 0.00 0.00 179.24 178.84 1gdd h VAL 342 N 0.41 1.19 -0.30 -1.35 2.07 -1.14 -1.29 116.25 115.84 1gdd h VAL 342 Ca 0.09 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1gdd h VAL 342 Cb 0.35 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1gdd h VAL 342 CO 0.01 0.21 0.16 0.40 0.02 0.00 0.00 177.57 178.37 1gdd h ILE 343 N 0.66 1.00 -0.09 4.57 2.04 -0.94 0.18 117.51 124.95 1gdd h ILE 343 Ca 0.17 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1gdd h ILE 343 Cb 0.10 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1gdd h ILE 343 CO -0.02 0.06 0.04 0.40 0.00 0.00 0.00 178.15 178.62 1gdd h ILE 344 N 0.33 0.99 -0.08 -0.67 2.04 -1.15 1.01 117.51 119.98 1gdd h ILE 344 Ca 0.12 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 1gdd h ILE 344 Cb 0.03 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1gdd h ILE 344 CO -0.08 0.01 -0.38 0.50 0.00 0.00 0.00 178.15 178.21 1gdd h LYS 345 N 0.08 0.16 0.00 2.37 3.64 -1.03 -3.09 116.57 118.70 1gdd h LYS 345 Ca 0.03 -0.07 -0.37 0.00 -1.27 0.00 0.00 60.65 58.98 1gdd h LYS 345 Cb 0.01 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 1gdd h LYS 345 CO -0.03 0.52 -2.41 0.09 -2.27 0.00 0.00 179.45 175.36 1gdd n ASN 346 N -4.06 1.94 -0.17 4.20 3.02 0.62 -4.83 115.26 115.98 1gdd n ASN 346 Ca -0.01 -0.12 0.05 0.00 -0.03 0.00 0.00 54.58 54.46 1gdd n ASN 346 Cb 0.44 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 1gdd n ASN 346 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1gdd n ASN 347 N -3.19 1.01 -0.33 6.41 4.13 0.34 -4.76 115.26 118.88 1gdd n ASN 347 Ca -0.43 -1.01 0.20 0.00 1.68 0.00 0.00 54.58 55.03 1gdd n ASN 347 Cb 0.98 0.58 0.42 0.00 -1.54 0.00 0.00 39.78 40.22 1gdd n ASN 347 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1gdd h LEU 348 N 0.82 0.39 -1.91 3.41 5.85 -1.42 0.12 115.31 122.57 1gdd h LEU 348 Ca 0.00 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1gdd h LEU 348 Cb 0.30 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1gdd h LEU 348 CO 0.00 -0.12 0.15 0.11 -0.34 0.00 0.00 178.44 178.23 1gdd h LYS 349 N 0.31 0.11 -0.01 1.25 1.57 -1.86 0.12 116.57 118.07 1gdd h LYS 349 Ca 0.68 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 1gdd h LYS 349 Cb 1.49 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1gdd h LYS 349 CO -0.61 0.07 -0.06 -0.25 -0.57 0.00 0.00 179.45 178.03 1gdd n ASP 350 N -4.49 1.17 -4.64 0.86 8.00 0.41 -4.81 116.55 113.04 1gdd n ASP 350 Ca 0.01 -1.25 -0.40 0.00 0.71 0.00 0.00 54.79 53.87 1gdd n ASP 350 Cb 0.21 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 1gdd n ASP 350 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gdd s GLY 352 N 1.32 1.71 -0.13 0.00 0.00 -1.26 -4.74 107.32 104.22 1gdd s GLY 352 Ca 0.25 0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.93 1gdd s GLY 352 CO 0.09 0.31 0.07 1.08 0.00 0.00 0.00 173.10 174.65 1gdd s LEU 353 N -5.23 3.97 0.00 0.66 1.43 -1.26 -1.18 118.68 117.07 1gdd s LEU 353 Ca 0.57 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1gdd s LEU 353 Cb -0.12 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1gdd s LEU 353 CO 0.52 0.31 0.14 0.49 0.23 0.00 0.00 176.35 178.04