#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1l h ASP 23 N 0.00 0.00 0.24 1.61 3.32 -2.05 -3.10 116.42 116.44 3g1l h ASP 23 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g1l h ASP 23 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g1l h ASP 23 CO 0.00 0.09 -0.01 0.44 -1.72 0.00 0.00 179.24 178.04 3g1l h ASP 24 N 0.00 0.00 -0.10 6.45 3.32 -2.04 0.19 116.42 124.23 3g1l h ASP 24 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3g1l h ASP 24 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3g1l h ASP 24 CO 0.01 0.01 -0.30 0.03 -1.72 0.00 0.00 179.24 177.27 3g1l h ARG 25 N 0.00 0.39 0.21 3.56 3.08 -1.93 -0.18 114.38 119.50 3g1l h ARG 25 Ca -0.00 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3g1l h ARG 25 Cb 0.14 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3g1l h ARG 25 CO 0.00 0.90 -0.10 1.49 -1.07 0.00 0.00 179.97 181.19 3g1l h GLU 26 N -0.05 -0.27 -0.91 0.04 4.81 -1.31 -1.44 114.58 115.45 3g1l h GLU 26 Ca -0.01 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3g1l h GLU 26 Cb 0.92 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 3g1l h GLU 26 CO 0.06 -0.16 0.59 -0.07 -0.73 0.00 0.00 179.01 178.71 3g1l h LEU 27 N -0.31 0.83 -0.91 1.64 3.38 -0.79 -0.80 115.31 118.36 3g1l h LEU 27 Ca -0.03 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3g1l h LEU 27 Cb 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3g1l h LEU 27 CO 0.05 0.48 0.05 0.00 0.09 0.00 0.00 178.44 179.11 3g1l h ALA 28 N 1.55 1.10 -0.39 1.53 0.00 -0.82 -0.63 119.26 121.59 3g1l h ALA 28 Ca 0.43 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3g1l h ALA 28 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3g1l h ALA 28 CO -0.19 0.58 0.05 0.82 0.00 0.00 0.00 179.25 180.51 3g1l h ILE 29 N 0.80 1.25 -0.14 0.00 2.04 -0.08 -0.20 117.51 121.17 3g1l h ILE 29 Ca 0.16 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3g1l h ILE 29 Cb 0.41 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3g1l h ILE 29 CO 0.01 0.31 0.08 -0.07 0.00 0.00 0.00 178.15 178.48 3g1l h LEU 30 N 0.51 0.17 -0.42 1.44 3.38 -0.93 0.53 115.31 119.99 3g1l h LEU 30 Ca 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3g1l h LEU 30 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3g1l h LEU 30 CO 0.01 0.21 0.20 0.00 0.09 0.00 0.00 178.44 178.95 3g1l h ALA 31 N 0.97 0.55 -0.38 1.53 0.00 -0.98 0.12 119.26 121.07 3g1l h ALA 31 Ca 0.05 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3g1l h ALA 31 Cb 0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3g1l h ALA 31 CO -0.01 0.11 0.13 1.15 0.00 0.00 0.00 179.25 180.63 3g1l h THR 32 N 0.55 0.88 -0.05 0.00 2.02 -0.80 -1.01 112.91 114.49 3g1l h THR 32 Ca 0.15 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3g1l h THR 32 Cb 0.12 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3g1l h THR 32 CO -0.02 0.05 0.03 0.00 0.37 0.00 0.00 175.52 175.95 3g1l h ALA 33 N 1.25 0.06 -0.40 6.16 0.00 -0.07 -0.35 119.26 125.91 3g1l h ALA 33 Ca 0.18 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3g1l h ALA 33 Cb 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3g1l h ALA 33 CO -0.19 -0.45 0.20 1.49 0.00 0.00 0.00 179.25 180.30 3g1l h GLU 34 N 0.06 0.39 -0.16 0.00 4.81 -0.84 -0.99 114.58 117.85 3g1l h GLU 34 Ca 0.02 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3g1l h GLU 34 Cb -0.00 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3g1l h GLU 34 CO -0.01 0.26 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.50 3g1l h ASN 35 N 0.40 -0.39 0.63 1.04 -0.26 -0.95 -3.00 115.58 113.05 3g1l h ASN 35 Ca 0.17 0.08 -0.08 0.00 -0.56 0.00 0.00 56.30 55.91 3g1l h ASN 35 Cb 0.08 0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 3g1l h ASN 35 CO -0.12 -0.16 -0.39 -0.07 -1.06 0.00 0.00 177.43 175.63 3g1l h LEU 36 N -0.13 0.00 -0.37 1.61 3.38 -0.51 -2.42 115.31 116.87 3g1l h LEU 36 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g1l h LEU 36 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3g1l h LEU 36 CO -0.24 0.39 0.00 0.18 0.09 0.00 0.00 178.44 178.87 3g1l n LEU 37 N -3.74 0.35 0.05 1.67 4.77 -0.43 -2.39 117.00 117.28 3g1l n LEU 37 Ca -0.01 0.59 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 3g1l n LEU 37 Cb 0.47 -0.54 0.12 0.00 -2.33 0.00 0.00 43.42 41.14 3g1l n LEU 37 CO 0.38 -0.42 0.52 -0.08 -1.33 0.00 0.00 177.39 176.45 3g1l h GLU 38 N 0.00 0.36 0.00 3.23 4.57 -1.38 -3.35 114.58 118.01 3g1l h GLU 38 Ca 0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3g1l h GLU 38 Cb 0.30 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3g1l h GLU 38 CO 0.00 0.81 -0.69 -0.25 -1.18 0.00 0.00 179.01 177.70 3g1l n ASP 39 N -3.94 1.02 -3.55 1.04 8.00 -1.10 -5.03 116.55 112.99 3g1l n ASP 39 Ca -0.02 -0.54 -0.13 0.00 0.71 0.00 0.00 54.79 54.80 3g1l n ASP 39 Cb 0.58 1.11 -0.05 0.00 -0.02 0.00 0.00 41.12 42.74 3g1l n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g1l s ARG 40 N -2.08 1.08 0.78 -1.24 1.70 -1.00 -5.17 118.95 113.01 3g1l s ARG 40 Ca 0.02 -0.31 -0.11 0.00 -0.47 0.00 0.00 55.73 54.86 3g1l s ARG 40 Cb 0.07 0.49 0.06 0.00 -0.57 0.00 0.00 34.95 35.00 3g1l s ARG 40 CO 0.39 -0.41 1.09 -1.25 -1.08 0.00 0.00 175.30 174.04 3g1l s PRO 41 N -2.78 2.23 0.31 3.89 0.04 -1.26 -4.11 135.00 133.32 3g1l s PRO 41 Ca -0.03 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.22 3g1l s PRO 41 Cb -0.00 -1.90 0.83 0.00 0.04 0.00 0.00 34.50 33.47 3g1l s PRO 41 CO -0.04 -1.66 1.69 1.25 0.04 0.00 0.00 177.00 178.28 3g1l h LEU 42 N -1.14 0.38 -1.94 -3.56 5.85 -1.94 -0.25 115.31 112.71 3g1l h LEU 42 Ca -0.44 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3g1l h LEU 42 Cb 1.23 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3g1l h LEU 42 CO 0.52 -0.04 -0.07 0.00 -0.34 0.00 0.00 178.44 178.51 3g1l h ALA 43 N 1.76 1.79 -0.59 1.25 0.00 -2.03 -0.90 119.26 120.53 3g1l h ALA 43 Ca 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3g1l h ALA 43 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3g1l h ALA 43 CO -0.56 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.53 3g1l n ASP 44 N -4.31 3.25 -4.49 0.00 10.43 -0.12 -4.84 116.55 116.47 3g1l n ASP 44 Ca -0.03 -2.03 -0.33 0.00 2.57 0.00 0.00 54.79 54.97 3g1l n ASP 44 Cb 0.15 -0.41 -0.13 0.00 1.84 0.00 0.00 41.12 42.58 3g1l n ASP 44 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3g1l s ILE 45 N -1.25 3.39 0.18 0.53 1.01 -0.34 -4.94 121.20 119.77 3g1l s ILE 45 Ca 0.40 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.54 3g1l s ILE 45 Cb 0.21 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3g1l s ILE 45 CO 0.27 0.57 0.01 -0.94 0.00 0.00 0.00 174.94 174.85 3g1l s SER 46 N -0.40 4.82 0.42 3.58 1.04 -1.26 -4.94 113.70 116.96 3g1l s SER 46 Ca 0.05 -0.39 0.23 0.00 0.48 0.00 0.00 55.95 56.32 3g1l s SER 46 Cb -0.12 -1.04 1.22 0.00 0.10 0.00 0.00 66.02 66.17 3g1l s SER 46 CO 0.02 0.08 1.73 0.58 0.98 0.00 0.00 173.24 176.63 3g1l h VAL 47 N 2.38 0.40 -0.04 5.02 2.07 -1.99 -0.85 116.25 123.25 3g1l h VAL 47 Ca -0.47 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3g1l h VAL 47 Cb 1.21 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3g1l h VAL 47 CO 0.59 0.05 0.01 -0.78 0.02 0.00 0.00 177.57 177.46 3g1l h ASP 48 N 0.28 0.06 -0.68 0.57 3.58 -1.97 0.33 116.42 118.59 3g1l h ASP 48 Ca 0.66 -0.19 0.13 0.00 0.42 0.00 0.00 57.03 58.05 3g1l h ASP 48 Cb 1.85 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 42.79 3g1l h ASP 48 CO -0.32 0.23 0.20 0.44 -2.88 0.00 0.00 179.24 176.91 3g1l h ASP 49 N -0.12 0.12 -0.25 2.28 3.45 -1.59 0.79 116.42 121.10 3g1l h ASP 49 Ca 0.01 0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 3g1l h ASP 49 Cb 0.19 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 3g1l h ASP 49 CO -0.00 0.04 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.63 3g1l h LEU 50 N 0.34 0.45 0.32 1.55 3.38 -0.95 -0.13 115.31 120.27 3g1l h LEU 50 Ca 0.37 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g1l h LEU 50 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3g1l h LEU 50 CO -0.42 0.67 -0.15 0.00 0.09 0.00 0.00 178.44 178.63 3g1l h ALA 51 N 0.80 -0.43 -0.39 1.53 0.00 -0.52 -1.17 119.26 119.08 3g1l h ALA 51 Ca 0.07 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3g1l h ALA 51 Cb 0.45 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3g1l h ALA 51 CO 0.02 -0.70 -0.26 -0.22 0.00 0.00 0.00 179.25 178.09 3g1l h LYS 52 N -0.50 -0.19 -0.36 0.00 3.64 0.62 0.41 116.57 120.19 3g1l h LYS 52 Ca -0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3g1l h LYS 52 Cb 0.38 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3g1l h LYS 52 CO 0.07 -0.13 0.15 0.78 -2.27 0.00 0.00 179.45 178.05 3g1l h GLY 53 N -0.20 0.54 0.54 5.01 0.00 -0.89 -0.75 103.07 107.33 3g1l h GLY 53 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3g1l h GLY 53 CO -0.50 0.23 -0.10 0.00 0.00 0.00 0.00 176.54 176.18 3g1l n ALA 54 N -2.48 2.76 -2.96 3.60 0.00 -0.45 -4.90 120.51 116.08 3g1l n ALA 54 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 3g1l n ALA 54 Cb 0.13 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.33 3g1l n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1l n GLY 55 N 1.23 0.31 3.29 0.00 0.00 0.00 -4.91 105.19 105.12 3g1l n GLY 55 Ca 0.16 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 3g1l n GLY 55 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g1l s ILE 56 N -3.13 0.59 0.62 -0.61 -4.36 -0.43 -5.03 121.20 108.86 3g1l s ILE 56 Ca 0.25 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.55 3g1l s ILE 56 Cb -0.11 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 3g1l s ILE 56 CO 0.31 -0.15 1.00 -0.94 0.24 0.00 0.00 174.94 175.40 3g1l s SER 57 N -3.27 5.97 0.15 4.36 1.04 -1.26 -3.88 113.70 116.81 3g1l s SER 57 Ca 0.34 1.21 -0.21 0.00 0.48 0.00 0.00 55.95 57.76 3g1l s SER 57 Cb 0.07 -2.22 0.04 0.00 0.10 0.00 0.00 66.02 64.01 3g1l s SER 57 CO 0.11 -0.97 1.64 -0.09 0.98 0.00 0.00 173.24 174.90 3g1l h ARG 58 N -0.32 -0.20 -0.04 4.02 2.43 -1.93 -1.86 114.38 116.48 3g1l h ARG 58 Ca -0.45 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3g1l h ARG 58 Cb 1.21 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3g1l h ARG 58 CO 0.62 -0.13 -0.17 -1.00 -1.51 0.00 0.00 179.97 177.78 3g1l h PRO 59 N -0.20 0.07 -0.65 0.20 0.13 -1.99 -2.40 132.00 127.15 3g1l h PRO 59 Ca 0.14 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3g1l h PRO 59 Cb 0.43 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.52 3g1l h PRO 59 CO -0.39 0.24 0.35 1.15 -0.23 0.00 0.00 178.00 179.12 3g1l h THR 60 N 0.06 1.21 -0.55 1.56 2.02 -1.88 -2.38 112.91 112.96 3g1l h THR 60 Ca 0.01 -0.53 0.11 0.00 0.77 0.00 0.00 66.41 66.77 3g1l h THR 60 Cb 0.34 0.37 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 3g1l h THR 60 CO 0.02 0.23 -0.11 0.15 0.37 0.00 0.00 175.52 176.18 3g1l h PHE 61 N 0.89 -0.24 0.00 3.16 3.04 -0.84 -0.35 116.94 122.60 3g1l h PHE 61 Ca 0.23 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3g1l h PHE 61 Cb 0.05 0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.75 3g1l h PHE 61 CO -0.01 -0.22 0.00 0.66 -2.02 0.00 0.00 178.31 176.73 3g1l n TYR 62 N -5.36 0.51 0.08 0.41 4.01 -0.91 -0.29 117.16 115.61 3g1l n TYR 62 Ca 0.06 0.23 -0.07 0.00 -0.16 0.00 0.00 57.90 57.96 3g1l n TYR 62 Cb 0.29 -0.87 0.07 0.00 -0.31 0.00 0.00 39.34 38.52 3g1l n TYR 62 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3g1l h PHE 63 N 0.00 0.35 0.06 -0.72 3.04 -0.87 -3.37 116.94 115.43 3g1l h PHE 63 Ca 0.00 -0.15 -0.35 0.00 3.98 0.00 0.00 57.97 61.44 3g1l h PHE 63 Cb 0.17 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 3g1l h PHE 63 CO 0.00 0.87 -2.07 0.66 -2.02 0.00 0.00 178.31 175.75 3g1l n TYR 64 N -3.81 0.80 -3.95 0.41 4.02 0.60 -4.96 117.16 110.27 3g1l n TYR 64 Ca -0.03 0.20 -0.12 0.00 -0.01 0.00 0.00 57.90 57.94 3g1l n TYR 64 Cb 0.68 -1.12 -0.14 0.00 -0.02 0.00 0.00 39.34 38.75 3g1l n TYR 64 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3g1l s PHE 65 N -2.55 0.14 -0.43 -0.72 0.40 -0.31 -5.05 117.98 109.46 3g1l s PHE 65 Ca -0.19 -0.09 0.26 0.00 -0.60 0.00 0.00 56.93 56.31 3g1l s PHE 65 Cb 0.07 -0.09 0.95 0.00 0.51 0.00 0.00 43.02 44.46 3g1l s PHE 65 CO 0.75 -0.03 1.77 -1.00 0.70 0.00 0.00 175.22 177.42 3g1l h PRO 66 N 5.90 0.00 -1.95 0.24 0.13 -1.86 -3.33 132.00 131.13 3g1l h PRO 66 Ca -0.26 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 3g1l h PRO 66 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 3g1l h PRO 66 CO 0.49 0.00 0.41 -1.54 -0.23 0.00 0.00 178.00 177.13 3g1l s SER 67 N -4.79 -0.47 0.38 1.44 1.04 -1.26 -5.02 113.70 105.01 3g1l s SER 67 Ca 0.06 0.38 0.08 0.00 0.48 0.00 0.00 55.95 56.95 3g1l s SER 67 Cb 0.10 0.41 0.75 0.00 0.10 0.00 0.00 66.02 67.38 3g1l s SER 67 CO 0.50 -0.53 1.91 0.07 0.98 0.00 0.00 173.24 176.17 3g1l h LYS 68 N 2.53 0.29 -0.83 4.02 2.10 -1.98 -2.33 116.57 120.37 3g1l h LYS 68 Ca -0.23 -0.07 0.10 0.00 -2.00 0.00 0.00 60.65 58.45 3g1l h LYS 68 Cb 1.18 -0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 32.40 3g1l h LYS 68 CO 0.34 0.41 0.48 0.93 -2.00 0.00 0.00 179.45 179.61 3g1l h GLU 69 N 0.28 0.78 0.00 0.07 3.07 -1.98 -0.67 114.58 116.13 3g1l h GLU 69 Ca 0.06 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 3g1l h GLU 69 Cb 0.37 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3g1l h GLU 69 CO 0.02 0.51 -0.18 0.00 -1.40 0.00 0.00 179.01 177.96 3g1l h ALA 70 N 1.46 1.69 -0.05 3.43 0.00 -1.82 -1.46 119.26 122.50 3g1l h ALA 70 Ca 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3g1l h ALA 70 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3g1l h ALA 70 CO -0.25 0.23 -0.01 0.28 0.00 0.00 0.00 179.25 179.50 3g1l h VAL 71 N 0.00 1.30 -0.62 0.00 2.07 -1.05 -1.75 116.25 116.21 3g1l h VAL 71 Ca -0.00 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.67 3g1l h VAL 71 Cb 0.32 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3g1l h VAL 71 CO 0.02 0.25 0.31 0.25 0.02 0.00 0.00 177.57 178.42 3g1l h LEU 72 N -0.25 0.43 -0.32 2.57 5.85 -0.98 -0.47 115.31 122.14 3g1l h LEU 72 Ca 0.01 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3g1l h LEU 72 Cb 0.41 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3g1l h LEU 72 CO 0.01 0.27 0.07 0.25 -0.34 0.00 0.00 178.44 178.70 3g1l h LEU 73 N 0.57 0.04 -0.40 2.25 5.85 -1.23 0.17 115.31 122.56 3g1l h LEU 73 Ca 0.29 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.08 3g1l h LEU 73 Cb 0.23 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3g1l h LEU 73 CO -0.21 0.06 0.21 0.74 -0.34 0.00 0.00 178.44 178.90 3g1l h THR 74 N 0.19 0.99 -0.67 1.05 2.02 -0.85 0.96 112.91 116.61 3g1l h THR 74 Ca 0.15 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3g1l h THR 74 Cb 0.15 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3g1l h THR 74 CO -0.18 0.08 0.41 -0.07 0.37 0.00 0.00 175.52 176.13 3g1l h LEU 75 N 0.42 0.67 -0.42 2.58 3.38 -0.50 -1.68 115.31 119.77 3g1l h LEU 75 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3g1l h LEU 75 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3g1l h LEU 75 CO -0.11 0.47 -0.27 0.25 0.09 0.00 0.00 178.44 178.87 3g1l h LEU 76 N 0.81 0.95 -0.94 1.67 6.46 -0.30 -2.09 115.31 121.86 3g1l h LEU 76 Ca 0.27 -0.43 0.05 0.00 -0.12 0.00 0.00 57.88 57.66 3g1l h LEU 76 Cb 0.03 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 39.63 3g1l h LEU 76 CO -0.11 1.17 0.61 -0.78 -0.62 0.00 0.00 178.44 178.71 3g1l h ASP 77 N 0.74 0.98 -0.46 1.25 1.82 -0.57 0.02 116.42 120.20 3g1l h ASP 77 Ca 0.08 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 3g1l h ASP 77 Cb 0.84 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 3g1l h ASP 77 CO 0.07 0.64 0.19 0.03 -1.61 0.00 0.00 179.24 178.57 3g1l h ARG 78 N 1.13 0.68 -0.05 0.28 2.47 -0.91 -1.04 114.38 116.94 3g1l h ARG 78 Ca 0.40 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 3g1l h ARG 78 Cb 0.11 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3g1l h ARG 78 CO -0.15 0.61 -0.00 0.28 0.56 0.00 0.00 179.97 181.26 3g1l h VAL 79 N 0.60 1.25 -0.44 2.04 2.07 -0.96 -1.15 116.25 119.66 3g1l h VAL 79 Ca 0.15 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3g1l h VAL 79 Cb 0.17 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3g1l h VAL 79 CO -0.01 0.21 0.20 0.58 0.02 0.00 0.00 177.57 178.57 3g1l h VAL 80 N -0.21 0.93 -0.14 2.57 2.07 -1.02 -1.45 116.25 119.00 3g1l h VAL 80 Ca 0.01 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3g1l h VAL 80 Cb 0.33 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3g1l h VAL 80 CO 0.00 0.07 -0.29 0.78 0.02 0.00 0.00 177.57 178.16 3g1l h ASN 81 N 0.41 0.25 -0.35 0.57 2.35 -1.12 -1.11 115.58 116.58 3g1l h ASN 81 Ca 0.20 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3g1l h ASN 81 Cb 0.13 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3g1l h ASN 81 CO -0.16 0.54 0.15 -0.61 -1.65 0.00 0.00 177.43 175.70 3g1l h GLN 82 N 0.23 0.52 -0.57 0.81 4.15 -0.77 0.18 115.11 119.67 3g1l h GLN 82 Ca 0.03 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3g1l h GLN 82 Cb 0.63 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3g1l h GLN 82 CO 0.05 0.50 0.36 0.00 -1.93 0.00 0.00 178.83 177.81 3g1l h ALA 83 N 1.00 0.72 -0.35 3.38 0.00 -1.15 -0.91 119.26 121.95 3g1l h ALA 83 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3g1l h ALA 83 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3g1l h ALA 83 CO -0.01 0.18 -0.01 0.22 0.00 0.00 0.00 179.25 179.63 3g1l h ASP 84 N 0.77 0.63 -0.49 0.00 -0.00 -0.78 -0.84 116.42 115.71 3g1l h ASP 84 Ca 0.21 -0.32 -0.10 0.00 -0.00 0.00 0.00 57.03 56.82 3g1l h ASP 84 Cb -0.06 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.08 3g1l h ASP 84 CO -0.04 0.79 -0.07 0.24 -0.00 0.00 0.00 179.24 180.16 3g1l h MET 85 N 0.44 0.96 -0.49 0.28 2.86 -0.56 -0.64 114.93 117.78 3g1l h MET 85 Ca 0.10 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3g1l h MET 85 Cb 0.48 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 3g1l h MET 85 CO 0.02 0.99 0.32 0.00 1.06 0.00 0.00 176.91 179.30 3g1l h ALA 86 N 1.04 0.63 -0.92 6.32 0.00 -0.84 -1.54 119.26 123.94 3g1l h ALA 86 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g1l h ALA 86 Cb 0.61 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3g1l h ALA 86 CO 0.04 0.06 0.59 1.25 0.00 0.00 0.00 179.25 181.19 3g1l h LEU 87 N 0.65 1.08 -0.99 0.00 5.85 -0.82 -2.41 115.31 118.66 3g1l h LEU 87 Ca 0.18 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3g1l h LEU 87 Cb -0.06 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.63 3g1l h LEU 87 CO -0.05 0.80 0.64 1.56 -0.34 0.00 0.00 178.44 181.05 3g1l h GLN 88 N 1.26 1.13 -0.24 1.25 4.20 -0.76 0.13 115.11 122.08 3g1l h GLN 88 Ca 0.34 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 3g1l h GLN 88 Cb -0.11 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.41 3g1l h GLN 88 CO -0.07 0.75 0.02 1.15 -0.67 0.00 0.00 178.83 180.01 3g1l h THR 89 N 1.17 1.24 -0.34 -0.54 2.02 -0.85 -1.27 112.91 114.35 3g1l h THR 89 Ca 0.43 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.81 3g1l h THR 89 Cb 0.16 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 3g1l h THR 89 CO -0.17 0.26 0.06 -0.07 0.37 0.00 0.00 175.52 175.97 3g1l h LEU 90 N 0.19 -0.00 -1.83 2.58 3.38 -1.23 0.20 115.31 118.60 3g1l h LEU 90 Ca 0.07 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.19 3g1l h LEU 90 Cb 0.38 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3g1l h LEU 90 CO 0.01 0.03 0.32 0.00 0.09 0.00 0.00 178.44 178.89 3g1l h ALA 91 N 1.26 2.17 0.00 1.53 0.00 -0.62 -1.79 119.26 121.81 3g1l h ALA 91 Ca 0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3g1l h ALA 91 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3g1l h ALA 91 CO -0.22 -0.29 -1.55 0.39 0.00 0.00 0.00 179.25 177.59 3g1l n GLU 92 N -4.45 0.63 -3.41 0.00 1.02 -0.51 -4.63 120.64 109.30 3g1l n GLU 92 Ca 0.07 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 57.03 3g1l n GLU 92 Cb 0.40 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 3g1l n GLU 92 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3g1l n ASN 93 N -2.69 3.61 -4.65 1.62 4.13 0.68 -5.09 115.26 112.87 3g1l n ASN 93 Ca -0.09 -3.41 -0.46 0.00 1.68 0.00 0.00 54.58 52.30 3g1l n ASN 93 Cb 0.75 -0.67 -0.04 0.00 -1.54 0.00 0.00 39.78 38.28 3g1l n ASN 93 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3g1l n PRO 94 N 0.86 2.36 -2.13 3.52 -0.02 -1.15 -4.67 135.00 133.78 3g1l n PRO 94 Ca 0.30 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 62.20 3g1l n PRO 94 Cb 0.42 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 3g1l n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g1l s ALA 95 N 4.85 3.57 -0.60 3.55 0.00 -1.26 -4.97 121.76 126.90 3g1l s ALA 95 Ca 0.93 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.87 3g1l s ALA 95 Cb -0.57 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.09 3g1l s ALA 95 CO 0.46 -0.63 0.93 -0.51 0.00 0.00 0.00 175.76 176.02 3g1l s ASP 96 N 0.32 6.25 0.00 0.00 1.01 -1.26 -4.89 116.67 118.10 3g1l s ASP 96 Ca 0.58 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 53.17 3g1l s ASP 96 Cb -0.39 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.12 3g1l s ASP 96 CO 0.41 -1.30 0.00 1.07 0.21 0.00 0.00 175.17 175.55 3g1l n THR 97 N 6.04 0.00 -1.04 -1.27 5.66 -1.26 -5.17 114.28 117.24 3g1l n THR 97 Ca -0.01 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.69 3g1l n THR 97 Cb 0.46 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.40 3g1l n THR 97 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3g1l s ASP 98 N 0.00 3.02 0.36 1.09 1.47 -1.26 -4.77 116.67 116.58 3g1l s ASP 98 Ca 0.00 1.58 0.05 0.00 1.18 0.00 0.00 52.55 55.35 3g1l s ASP 98 Cb 0.00 -2.24 0.70 0.00 -0.34 0.00 0.00 42.92 41.05 3g1l s ASP 98 CO 0.00 -2.93 1.97 0.08 0.68 0.00 0.00 175.17 174.96 3g1l h ARG 99 N -1.75 0.78 -0.53 2.11 0.11 -1.99 -1.01 114.38 112.09 3g1l h ARG 99 Ca -0.51 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.50 3g1l h ARG 99 Cb 1.29 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 32.17 3g1l h ARG 99 CO 0.52 0.51 0.24 1.49 0.10 0.00 0.00 179.97 182.84 3g1l h GLU 100 N 0.80 0.78 -0.09 0.08 4.81 -2.00 -2.06 114.58 116.90 3g1l h GLU 100 Ca 0.30 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3g1l h GLU 100 Cb 0.17 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3g1l h GLU 100 CO -0.09 0.65 -0.27 -0.97 -0.73 0.00 0.00 179.01 177.61 3g1l h ASN 101 N 0.71 0.15 -0.23 1.04 -1.24 -1.71 -1.03 115.58 113.27 3g1l h ASN 101 Ca 0.18 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 3g1l h ASN 101 Cb 0.15 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 3g1l h ASN 101 CO -0.02 0.42 0.09 -0.03 -1.29 0.00 0.00 177.43 176.61 3g1l h MET 102 N 0.14 0.35 -0.50 6.67 4.05 -0.55 -1.13 114.93 123.96 3g1l h MET 102 Ca 0.02 -0.06 -0.13 0.00 -0.28 0.00 0.00 59.70 59.25 3g1l h MET 102 Cb 0.55 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 3g1l h MET 102 CO 0.04 0.39 -0.18 -1.49 0.23 0.00 0.00 176.91 175.90 3g1l h TRP 103 N 0.22 1.15 -0.75 1.39 4.06 -1.16 -2.87 115.95 117.99 3g1l h TRP 103 Ca 0.08 -0.27 0.03 0.00 2.06 0.00 0.00 58.89 60.79 3g1l h TRP 103 Cb 0.17 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.02 3g1l h TRP 103 CO -0.01 1.10 0.48 -0.09 -3.56 0.00 0.00 178.44 176.36 3g1l h ARG 104 N 0.87 0.92 -0.65 0.49 2.43 -1.06 -0.98 114.38 116.40 3g1l h ARG 104 Ca 0.12 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3g1l h ARG 104 Cb 0.76 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3g1l h ARG 104 CO 0.06 0.61 0.14 1.79 -1.51 0.00 0.00 179.97 181.07 3g1l h THR 105 N 0.95 1.25 -0.02 0.20 1.35 -1.13 0.13 112.91 115.64 3g1l h THR 105 Ca 0.29 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3g1l h THR 105 Cb -0.02 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3g1l h THR 105 CO -0.10 0.36 0.00 1.23 -0.25 0.00 0.00 175.52 176.76 3g1l h GLY 106 N 1.05 0.04 0.91 5.82 0.00 -1.23 -3.05 103.07 106.61 3g1l h GLY 106 Ca 0.20 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.54 3g1l h GLY 106 CO 0.00 0.02 0.65 -2.22 0.00 0.00 0.00 176.54 174.99 3g1l h ILE 107 N -0.23 1.18 -0.57 2.60 2.04 -1.12 -1.99 117.51 119.42 3g1l h ILE 107 Ca 0.01 -0.43 0.14 0.00 1.00 0.00 0.00 64.86 65.58 3g1l h ILE 107 Cb 0.27 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 3g1l h ILE 107 CO 0.00 0.23 0.40 -1.13 0.00 0.00 0.00 178.15 177.65 3g1l h ASN 108 N 1.26 0.10 -0.70 1.72 -0.00 -0.92 -1.27 115.58 115.76 3g1l h ASN 108 Ca 0.39 0.00 0.10 0.00 -0.00 0.00 0.00 56.30 56.79 3g1l h ASN 108 Cb -0.01 -0.02 -0.07 0.00 -0.00 0.00 0.00 38.32 38.22 3g1l h ASN 108 CO -0.12 0.06 0.34 0.58 -0.00 0.00 0.00 177.43 178.28 3g1l h VAL 109 N 0.11 0.82 0.15 2.57 2.07 -1.25 0.22 116.25 120.96 3g1l h VAL 109 Ca 0.27 -0.19 -0.30 0.00 0.82 0.00 0.00 66.70 67.30 3g1l h VAL 109 Cb 0.92 0.21 0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3g1l h VAL 109 CO -0.03 0.10 -1.26 -0.26 0.02 0.00 0.00 177.57 176.14 3g1l h PHE 110 N 0.57 0.97 -0.02 1.57 -1.00 -1.36 -0.09 116.94 117.57 3g1l h PHE 110 Ca 0.35 -0.64 0.02 0.00 2.81 0.00 0.00 57.97 60.51 3g1l h PHE 110 Cb 0.39 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 3g1l h PHE 110 CO -0.12 1.48 -0.09 0.35 -1.61 0.00 0.00 178.31 178.33 3g1l h PHE 111 N 0.19 -0.22 -0.16 -0.55 3.04 -1.22 -1.60 116.94 116.42 3g1l h PHE 111 Ca -0.20 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.72 3g1l h PHE 111 Cb 1.95 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 40.56 3g1l h PHE 111 CO 0.13 -0.14 -0.06 0.93 -2.02 0.00 0.00 178.31 177.15 3g1l h GLU 112 N -0.14 0.32 0.71 1.11 4.39 -1.02 -0.75 114.58 119.18 3g1l h GLU 112 Ca 0.04 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3g1l h GLU 112 Cb 0.20 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3g1l h GLU 112 CO -0.11 0.63 -0.34 1.15 -1.16 0.00 0.00 179.01 179.18 3g1l h THR 113 N -0.00 0.21 -0.16 1.13 2.02 -1.02 -0.06 112.91 115.02 3g1l h THR 113 Ca 0.04 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 3g1l h THR 113 Cb 0.52 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3g1l h THR 113 CO 0.02 0.02 -0.44 -0.26 0.37 0.00 0.00 175.52 175.23 3g1l h PHE 114 N -1.10 0.47 0.00 3.16 -1.00 -1.43 -2.57 116.94 114.47 3g1l h PHE 114 Ca -0.10 -0.14 -0.03 0.00 2.81 0.00 0.00 57.97 60.51 3g1l h PHE 114 Cb 0.76 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.21 3g1l h PHE 114 CO -0.00 0.77 -0.16 0.78 -1.61 0.00 0.00 178.31 178.08 3g1l h GLY 115 N 1.17 0.00 1.67 -1.45 0.00 -1.09 -1.93 103.07 101.44 3g1l h GLY 115 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3g1l h GLY 115 CO 0.08 0.00 -0.15 1.44 0.00 0.00 0.00 176.54 177.91 3g1l n SER 116 N -4.08 0.16 -2.95 0.19 7.64 -0.04 -4.04 113.62 110.49 3g1l n SER 116 Ca -0.02 0.24 -0.19 0.00 1.01 0.00 0.00 58.87 59.91 3g1l n SER 116 Cb 0.24 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 3g1l n SER 116 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3g1l n HIS 117 N -1.48 1.57 -0.34 1.43 8.25 -0.74 -4.97 115.22 118.94 3g1l n HIS 117 Ca 0.07 -3.57 -0.03 0.00 -0.26 0.00 0.00 57.72 53.93 3g1l n HIS 117 Cb 0.33 -0.39 0.09 0.00 1.12 0.00 0.00 29.99 31.14 3g1l n HIS 117 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3g1l h LYS 118 N 2.95 1.20 -0.18 -0.41 1.57 -1.66 -1.75 116.57 118.30 3g1l h LYS 118 Ca 0.08 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3g1l h LYS 118 Cb 0.91 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3g1l h LYS 118 CO 0.61 0.80 -0.08 0.00 -0.57 0.00 0.00 179.45 180.20 3g1l h ALA 119 N 1.33 0.25 -0.94 3.86 0.00 -1.89 0.98 119.26 122.85 3g1l h ALA 119 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3g1l h ALA 119 Cb -0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3g1l h ALA 119 CO -0.07 0.06 0.56 0.28 0.00 0.00 0.00 179.25 180.08 3g1l h VAL 120 N 0.05 1.26 0.05 0.00 2.07 -1.87 -0.20 116.25 117.61 3g1l h VAL 120 Ca 0.04 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3g1l h VAL 120 Cb 0.55 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3g1l h VAL 120 CO 0.02 0.27 -0.03 0.74 0.02 0.00 0.00 177.57 178.60 3g1l h THR 121 N 1.29 1.06 0.33 2.57 2.02 -0.98 0.11 112.91 119.31 3g1l h THR 121 Ca 0.34 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3g1l h THR 121 Cb -0.05 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3g1l h THR 121 CO -0.06 0.10 -0.42 -0.09 0.37 0.00 0.00 175.52 175.41 3g1l h ARG 122 N -0.24 -0.74 -0.71 6.66 2.43 -0.57 -1.46 114.38 119.75 3g1l h ARG 122 Ca -0.01 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3g1l h ARG 122 Cb 0.21 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 3g1l h ARG 122 CO 0.01 -0.50 0.39 0.00 -1.51 0.00 0.00 179.97 178.37 3g1l h ALA 123 N -0.98 0.96 -0.34 2.80 0.00 -1.00 -1.65 119.26 119.05 3g1l h ALA 123 Ca -0.04 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3g1l h ALA 123 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3g1l h ALA 123 CO -0.10 0.06 -0.21 0.78 0.00 0.00 0.00 179.25 179.78 3g1l h GLY 124 N 0.71 0.70 0.96 0.00 0.00 -0.76 -1.10 103.07 103.57 3g1l h GLY 124 Ca 0.32 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3g1l h GLY 124 CO -0.20 0.52 0.16 -1.61 0.00 0.00 0.00 176.54 175.40 3g1l h GLN 125 N 0.57 0.32 -0.70 4.80 -0.00 -0.42 -2.95 115.11 116.73 3g1l h GLN 125 Ca 0.09 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 3g1l h GLN 125 Cb 0.67 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.04 3g1l h GLN 125 CO 0.05 0.21 0.37 0.00 0.00 0.00 0.00 178.83 179.46 3g1l h ALA 126 N 1.11 0.90 0.00 3.38 0.00 -1.02 -2.90 119.26 120.74 3g1l h ALA 126 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g1l h ALA 126 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3g1l h ALA 126 CO -0.04 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3g1l h ALA 127 N 1.18 1.00 -0.50 0.00 0.00 -1.06 -2.79 119.26 117.09 3g1l h ALA 127 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3g1l h ALA 127 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3g1l h ALA 127 CO -0.04 0.00 0.34 0.00 0.00 0.00 0.00 179.25 179.55 3g1l h ARG 128 N 0.00 0.38 -0.13 0.00 3.08 -1.35 0.14 114.38 116.50 3g1l h ARG 128 Ca 0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3g1l h ARG 128 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3g1l h ARG 128 CO 0.00 0.25 -0.32 0.00 -1.07 0.00 0.00 179.97 178.84 3g1l h ALA 129 N 1.73 1.22 0.00 0.04 0.00 -1.69 -3.37 119.26 117.20 3g1l h ALA 129 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g1l h ALA 129 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3g1l h ALA 129 CO -0.06 0.52 -0.39 0.25 0.00 0.00 0.00 179.25 179.58 3g1l n THR 130 N -4.10 0.00 -4.06 0.00 -2.24 -0.72 -4.95 114.28 98.21 3g1l n THR 130 Ca -0.01 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.11 3g1l n THR 130 Cb 0.41 0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 69.37 3g1l n THR 130 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g1l s SER 131 N -1.61 3.33 0.54 3.42 0.15 0.41 -4.99 113.70 114.95 3g1l s SER 131 Ca 0.01 -0.81 0.32 0.00 0.70 0.00 0.00 55.95 56.17 3g1l s SER 131 Cb 0.03 -1.36 1.51 0.00 -1.71 0.00 0.00 66.02 64.49 3g1l s SER 131 CO 0.17 -0.08 2.06 -0.37 1.20 0.00 0.00 173.24 176.22 3g1l h VAL 132 N 6.23 0.30 0.01 4.45 -1.51 -1.85 -1.54 116.25 122.34 3g1l h VAL 132 Ca -0.35 -0.53 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3g1l h VAL 132 Cb 1.11 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 3g1l h VAL 132 CO 0.54 0.08 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.63 3g1l h GLU 133 N 0.00 -0.01 -0.66 5.19 3.07 -1.94 -1.32 114.58 118.90 3g1l h GLU 133 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3g1l h GLU 133 Cb 0.40 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 3g1l h GLU 133 CO 0.01 0.51 0.39 0.28 -1.40 0.00 0.00 179.01 178.79 3g1l h VAL 134 N -0.54 1.20 -0.59 3.13 2.07 -1.82 0.46 116.25 120.15 3g1l h VAL 134 Ca -0.00 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3g1l h VAL 134 Cb 0.53 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3g1l h VAL 134 CO 0.00 0.21 0.38 0.00 0.02 0.00 0.00 177.57 178.19 3g1l h ALA 135 N 1.19 0.76 -0.16 1.67 0.00 -1.31 -1.29 119.26 120.13 3g1l h ALA 135 Ca 0.24 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3g1l h ALA 135 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3g1l h ALA 135 CO -0.04 0.16 -0.49 0.93 0.00 0.00 0.00 179.25 179.81 3g1l h GLU 136 N 0.77 0.41 0.06 0.00 5.08 -0.77 -0.65 114.58 119.48 3g1l h GLU 136 Ca 0.22 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3g1l h GLU 136 Cb -0.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3g1l h GLU 136 CO -0.07 0.81 -0.03 1.25 -1.00 0.00 0.00 179.01 179.98 3g1l h LEU 137 N 0.33 -0.07 -0.45 1.33 5.85 -0.62 -0.59 115.31 121.09 3g1l h LEU 137 Ca 0.02 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3g1l h LEU 137 Cb 0.98 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3g1l h LEU 137 CO 0.08 0.13 0.23 -0.25 -0.34 0.00 0.00 178.44 178.30 3g1l h TRP 138 N -0.26 0.43 -0.31 1.25 2.91 -1.14 -2.51 115.95 116.32 3g1l h TRP 138 Ca -0.01 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.06 3g1l h TRP 138 Cb 0.23 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.73 3g1l h TRP 138 CO -0.01 0.22 0.13 1.03 -1.03 0.00 0.00 178.44 178.78 3g1l h SER 139 N 0.46 0.18 -0.12 2.65 0.87 -1.00 -1.07 113.55 115.52 3g1l h SER 139 Ca 0.20 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3g1l h SER 139 Cb 0.10 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3g1l h SER 139 CO -0.13 0.14 -0.06 0.74 -0.53 0.00 0.00 176.83 176.98 3g1l h THR 140 N 0.29 0.80 -0.18 2.23 2.02 -0.90 -1.73 112.91 115.43 3g1l h THR 140 Ca 0.13 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 3g1l h THR 140 Cb 0.07 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3g1l h THR 140 CO -0.11 0.00 -0.46 -0.26 0.37 0.00 0.00 175.52 175.06 3g1l h PHE 141 N -0.06 0.55 -0.88 3.16 -1.00 -1.29 -2.38 116.94 115.04 3g1l h PHE 141 Ca 0.07 -0.17 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 3g1l h PHE 141 Cb 0.16 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 3g1l h PHE 141 CO -0.19 0.83 0.52 0.52 -1.61 0.00 0.00 178.31 178.38 3g1l h MET 142 N 0.37 1.20 -0.62 1.51 2.86 -0.94 0.17 114.93 119.48 3g1l h MET 142 Ca 0.02 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3g1l h MET 142 Cb 0.95 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 3g1l h MET 142 CO 0.08 0.85 0.31 1.96 1.06 0.00 0.00 176.91 181.17 3g1l h GLN 143 N 1.21 0.89 -0.27 1.72 4.20 -1.09 0.19 115.11 121.96 3g1l h GLN 143 Ca 0.31 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.91 3g1l h GLN 143 Cb -0.03 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3g1l h GLN 143 CO -0.06 0.71 0.14 -0.22 -0.67 0.00 0.00 178.83 178.73 3g1l h LYS 144 N 0.85 0.28 -0.35 1.46 3.64 -0.85 -0.66 116.57 120.94 3g1l h LYS 144 Ca 0.21 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 3g1l h LYS 144 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3g1l h LYS 144 CO -0.03 0.19 -0.41 -1.49 -2.27 0.00 0.00 179.45 175.44 3g1l h TRP 145 N 0.29 1.05 -0.62 1.91 6.55 -0.77 -1.09 115.95 123.26 3g1l h TRP 145 Ca 0.11 -0.32 -0.04 0.00 0.95 0.00 0.00 58.89 59.59 3g1l h TRP 145 Cb 0.03 -0.22 -0.03 0.00 -0.86 0.00 0.00 29.16 28.08 3g1l h TRP 145 CO -0.09 1.13 0.22 0.82 -1.05 0.00 0.00 178.44 179.46 3g1l h ILE 146 N 0.71 1.24 -0.48 1.49 2.04 -0.91 0.07 117.51 121.67 3g1l h ILE 146 Ca 0.05 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.02 3g1l h ILE 146 Cb 0.99 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3g1l h ILE 146 CO 0.10 0.31 -0.10 0.00 0.00 0.00 0.00 178.15 178.46 3g1l h ALA 147 N 1.08 0.93 -0.13 1.87 0.00 -0.91 -0.62 119.26 121.47 3g1l h ALA 147 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3g1l h ALA 147 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g1l h ALA 147 CO -0.01 0.63 -0.24 -0.92 0.00 0.00 0.00 179.25 178.70 3g1l h TYR 148 N 0.78 0.49 -0.72 0.00 3.20 -1.00 -1.77 116.97 117.95 3g1l h TYR 148 Ca 0.13 -0.18 0.15 0.00 3.14 0.00 0.00 58.73 61.98 3g1l h TYR 148 Cb 0.61 -0.09 -0.13 0.00 1.54 0.00 0.00 36.73 38.65 3g1l h TYR 148 CO 0.03 0.86 -0.09 1.15 -1.64 0.00 0.00 178.16 178.47 3g1l h THR 149 N -0.02 0.32 -0.36 1.81 2.02 -0.81 -1.94 112.91 113.95 3g1l h THR 149 Ca 0.01 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 3g1l h THR 149 Cb 0.83 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3g1l h THR 149 CO 0.05 0.01 -0.25 0.00 0.37 0.00 0.00 175.52 175.70 3g1l h ALA 150 N 1.70 0.89 -0.77 6.16 0.00 -0.95 -1.33 119.26 124.95 3g1l h ALA 150 Ca 0.37 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3g1l h ALA 150 Cb 0.60 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3g1l h ALA 150 CO -0.69 0.63 0.27 0.00 0.00 0.00 0.00 179.25 179.45 3g1l h ALA 151 N 1.09 1.02 0.03 0.00 0.00 -0.94 0.22 119.26 120.69 3g1l h ALA 151 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3g1l h ALA 151 Cb 0.75 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3g1l h ALA 151 CO 0.06 0.67 -0.02 0.28 0.00 0.00 0.00 179.25 180.25 3g1l h VAL 152 N 1.14 1.19 -0.57 0.00 2.07 -1.07 0.49 116.25 119.50 3g1l h VAL 152 Ca 0.25 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 67.16 3g1l h VAL 152 Cb 0.27 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.63 3g1l h VAL 152 CO -0.01 0.18 0.07 0.40 0.02 0.00 0.00 177.57 178.23 3g1l h ILE 153 N -0.36 0.61 -0.58 4.57 2.04 -1.07 -0.86 117.51 121.88 3g1l h ILE 153 Ca -0.00 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3g1l h ILE 153 Cb 0.33 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3g1l h ILE 153 CO 0.01 0.04 0.30 0.44 0.00 0.00 0.00 178.15 178.93 3g1l h ASP 154 N 0.20 0.42 -0.35 1.72 3.45 -0.82 -0.26 116.42 120.77 3g1l h ASP 154 Ca 0.30 0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.85 3g1l h ASP 154 Cb 0.45 -0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 39.12 3g1l h ASP 154 CO -0.42 0.28 0.04 0.00 -1.57 0.00 0.00 179.24 177.57 3g1l h ALA 155 N 1.32 0.35 -0.87 3.45 0.00 -0.05 -0.29 119.26 123.16 3g1l h ALA 155 Ca 0.26 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3g1l h ALA 155 Cb 0.18 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3g1l h ALA 155 CO -0.18 -0.36 0.50 0.93 0.00 0.00 0.00 179.25 180.13 3g1l h GLU 156 N 0.15 1.21 -0.54 0.00 4.39 -0.65 -1.59 114.58 117.55 3g1l h GLU 156 Ca 0.17 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3g1l h GLU 156 Cb 0.21 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3g1l h GLU 156 CO -0.25 0.87 0.08 0.00 -1.16 0.00 0.00 179.01 178.55 3g1l h ARG 157 N 1.21 0.89 -0.67 2.33 3.08 -0.79 -0.22 114.38 120.22 3g1l h ARG 157 Ca 0.31 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3g1l h ARG 157 Cb 0.00 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3g1l h ARG 157 CO -0.05 0.87 0.28 -0.44 -1.07 0.00 0.00 179.97 179.56 3g1l h ASP 158 N 0.78 0.90 -0.02 7.04 3.45 -0.51 -1.60 116.42 126.45 3g1l h ASP 158 Ca 0.16 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3g1l h ASP 158 Cb 0.42 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3g1l h ASP 158 CO 0.01 0.79 0.00 -2.11 -1.57 0.00 0.00 179.24 176.36 3g1l n ARG 159 N -4.31 1.33 -0.87 3.56 1.85 -0.65 -4.92 116.66 112.64 3g1l n ARG 159 Ca 0.06 -0.48 0.00 0.00 -1.00 0.00 0.00 57.85 56.43 3g1l n ARG 159 Cb 0.17 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 3g1l n ARG 159 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3g1l n GLY 160 N 1.05 0.54 0.08 2.89 0.00 -0.60 -4.94 105.19 104.22 3g1l n GLY 160 Ca 0.20 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3g1l n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1l h ALA 161 N 0.00 0.70 -3.92 4.61 0.00 -1.27 -3.46 119.26 115.91 3g1l h ALA 161 Ca 0.00 -1.26 -0.68 0.00 0.00 0.00 0.00 54.91 52.96 3g1l h ALA 161 Cb 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 17.79 17.86 3g1l h ALA 161 CO 0.00 1.41 -0.82 0.00 0.00 0.00 0.00 179.25 179.83 3g1l s ALA 162 N -2.68 2.42 0.60 0.00 0.00 -0.81 -4.92 121.76 116.37 3g1l s ALA 162 Ca -0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 3g1l s ALA 162 Cb 0.08 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3g1l s ALA 162 CO 0.82 0.43 1.06 -1.25 0.00 0.00 0.00 175.76 176.83 3g1l s PRO 163 N -0.27 3.26 -0.96 0.00 0.04 -1.26 -4.15 135.00 131.66 3g1l s PRO 163 Ca 0.01 1.24 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 3g1l s PRO 163 Cb -0.13 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.50 3g1l s PRO 163 CO 0.03 -0.86 1.21 1.03 0.04 0.00 0.00 177.00 178.45 3g1l s ARG 164 N -4.05 3.62 0.00 4.56 0.52 -1.26 -4.85 118.95 117.49 3g1l s ARG 164 Ca 0.64 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3g1l s ARG 164 Cb -0.17 -5.02 0.00 0.00 0.52 0.00 0.00 34.95 30.29 3g1l s ARG 164 CO 0.37 -1.86 0.00 0.25 0.02 0.00 0.00 175.30 174.08 3g1l n THR 165 N 5.74 0.00 -1.26 0.02 -2.24 -1.26 -5.06 114.28 110.23 3g1l n THR 165 Ca 0.27 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.71 3g1l n THR 165 Cb 0.49 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.83 3g1l n THR 165 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3g1l s LEU 166 N 0.00 3.21 -0.09 3.22 1.43 -1.26 -4.89 118.68 120.30 3g1l s LEU 166 Ca 0.00 2.34 -0.39 0.00 -1.03 0.00 0.00 54.13 55.05 3g1l s LEU 166 Cb 0.00 -4.59 -0.17 0.00 0.03 0.00 0.00 46.19 41.47 3g1l s LEU 166 CO 0.00 -2.47 1.50 -2.65 0.23 0.00 0.00 176.35 172.96 3g1l n PRO 167 N -3.06 1.06 -0.36 1.29 -0.02 -1.26 -4.85 135.00 127.79 3g1l n PRO 167 Ca 0.13 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 3g1l n PRO 167 Cb 0.50 -2.03 0.13 0.00 -0.02 0.00 0.00 33.50 32.08 3g1l n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g1l h ALA 168 N 5.59 1.27 -0.69 3.55 0.00 -1.93 -1.71 119.26 125.33 3g1l h ALA 168 Ca -0.47 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3g1l h ALA 168 Cb 1.33 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3g1l h ALA 168 CO 0.85 0.54 0.15 1.25 0.00 0.00 0.00 179.25 182.04 3g1l h HIS 169 N 1.24 1.18 -0.40 0.00 -0.00 -1.89 -0.02 115.15 115.26 3g1l h HIS 169 Ca 0.38 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.54 3g1l h HIS 169 Cb -0.03 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.03 3g1l h HIS 169 CO -0.01 0.97 0.00 0.93 -0.00 0.00 0.00 177.93 179.82 3g1l h GLU 170 N 1.06 0.71 -0.44 5.26 5.08 -1.81 -0.38 114.58 124.05 3g1l h GLU 170 Ca 0.22 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3g1l h GLU 170 Cb 0.40 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3g1l h GLU 170 CO 0.01 0.80 0.25 1.25 -1.00 0.00 0.00 179.01 180.31 3g1l h LEU 171 N 0.54 0.55 -0.50 1.33 5.85 -1.23 -2.31 115.31 119.54 3g1l h LEU 171 Ca 0.11 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3g1l h LEU 171 Cb 0.48 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3g1l h LEU 171 CO 0.02 0.47 0.26 0.00 -0.34 0.00 0.00 178.44 178.86 3g1l h ALA 172 N 1.10 0.63 0.05 1.25 0.00 -0.78 -1.39 119.26 120.12 3g1l h ALA 172 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3g1l h ALA 172 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3g1l h ALA 172 CO -0.03 -0.07 -0.12 1.15 0.00 0.00 0.00 179.25 180.18 3g1l h THR 173 N 0.52 0.70 -0.53 0.00 2.02 -0.77 -0.77 112.91 114.08 3g1l h THR 173 Ca 0.21 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.41 3g1l h THR 173 Cb 0.10 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3g1l h THR 173 CO -0.14 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.09 3g1l h ALA 174 N 0.67 0.68 -0.76 6.16 0.00 -1.10 -0.15 119.26 124.77 3g1l h ALA 174 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3g1l h ALA 174 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3g1l h ALA 174 CO -0.08 0.07 0.25 -0.07 0.00 0.00 0.00 179.25 179.42 3g1l h LEU 175 N 0.68 1.09 -0.27 0.00 3.38 -1.04 0.12 115.31 119.26 3g1l h LEU 175 Ca 0.20 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3g1l h LEU 175 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3g1l h LEU 175 CO -0.07 1.00 -0.15 0.78 0.09 0.00 0.00 178.44 180.09 3g1l h ASN 176 N 1.12 0.59 -0.93 -0.43 2.35 -0.87 -0.84 115.58 116.57 3g1l h ASN 176 Ca 0.25 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3g1l h ASN 176 Cb 0.29 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 3g1l h ASN 176 CO -0.01 0.88 0.59 -0.07 -1.65 0.00 0.00 177.43 177.17 3g1l h LEU 177 N 0.30 1.10 -0.22 1.61 3.38 -0.87 -0.92 115.31 119.69 3g1l h LEU 177 Ca 0.06 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g1l h LEU 177 Cb 0.67 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3g1l h LEU 177 CO 0.04 0.82 0.07 -0.03 0.09 0.00 0.00 178.44 179.43 3g1l h MET 178 N 1.28 0.16 -0.60 1.13 4.05 -0.58 -1.62 114.93 118.75 3g1l h MET 178 Ca 0.34 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.72 3g1l h MET 178 Cb -0.09 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 3g1l h MET 178 CO -0.07 0.11 0.27 -0.91 0.23 0.00 0.00 176.91 176.54 3g1l h ASN 179 N 0.17 0.80 0.10 1.39 4.21 -0.66 -0.36 115.58 121.23 3g1l h ASN 179 Ca 0.10 -0.15 0.01 0.00 1.21 0.00 0.00 56.30 57.47 3g1l h ASN 179 Cb 0.07 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.03 3g1l h ASN 179 CO -0.11 0.73 -0.45 -0.08 -1.29 0.00 0.00 177.43 176.23 3g1l h GLU 180 N 0.82 -0.62 -0.59 0.81 4.81 -1.00 0.13 114.58 118.94 3g1l h GLU 180 Ca 0.20 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3g1l h GLU 180 Cb 0.16 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3g1l h GLU 180 CO -0.02 -0.41 0.18 -0.09 -0.73 0.00 0.00 179.01 177.93 3g1l h ARG 181 N -0.64 0.89 0.15 1.92 9.65 -1.19 -2.36 114.38 122.79 3g1l h ARG 181 Ca -0.01 -0.17 -0.22 0.00 -1.10 0.00 0.00 59.98 58.49 3g1l h ARG 181 Cb 0.65 -0.14 0.02 0.00 -1.39 0.00 0.00 29.97 29.11 3g1l h ARG 181 CO -0.25 0.77 -1.00 1.15 2.80 0.00 0.00 179.97 183.44 3g1l h THR 182 N 0.86 1.40 -0.35 0.20 2.02 -0.95 -1.65 112.91 114.44 3g1l h THR 182 Ca 0.19 -2.54 0.03 0.00 0.77 0.00 0.00 66.41 64.87 3g1l h THR 182 Cb 0.26 3.10 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 3g1l h THR 182 CO -0.01 0.73 0.17 -0.07 0.37 0.00 0.00 175.52 176.71 3g1l h LEU 183 N -0.29 0.24 -0.46 2.58 3.38 -0.99 -1.64 115.31 118.13 3g1l h LEU 183 Ca -0.19 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 3g1l h LEU 183 Cb 1.73 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 3g1l h LEU 183 CO 0.15 0.18 -0.40 -0.26 0.09 0.00 0.00 178.44 178.20 3g1l h PHE 184 N 0.35 1.01 -1.00 1.13 0.04 -1.46 0.11 116.94 117.11 3g1l h PHE 184 Ca 0.15 -0.31 0.03 0.00 2.80 0.00 0.00 57.97 60.64 3g1l h PHE 184 Cb 0.07 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 37.96 3g1l h PHE 184 CO -0.11 1.10 0.66 0.00 -0.60 0.00 0.00 178.31 179.36 3g1l h ALA 185 N 0.85 1.33 -0.07 2.45 0.00 -1.14 -1.76 119.26 120.92 3g1l h ALA 185 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3g1l h ALA 185 Cb 0.98 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g1l h ALA 185 CO 0.09 0.59 -0.05 0.77 0.00 0.00 0.00 179.25 180.65 3g1l h SER 186 N 1.30 0.17 -0.61 0.00 0.02 -0.59 0.27 113.55 114.11 3g1l h SER 186 Ca 0.39 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3g1l h SER 186 Cb -0.05 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3g1l h SER 186 CO -0.11 0.59 0.37 -0.26 -1.14 0.00 0.00 176.83 176.28 3g1l h PHE 187 N -0.26 0.69 0.00 3.45 0.05 -0.66 -0.76 116.94 119.45 3g1l h PHE 187 Ca 0.01 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3g1l h PHE 187 Cb 0.54 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 38.27 3g1l h PHE 187 CO 0.08 0.39 0.00 0.00 -0.18 0.00 0.00 178.31 178.60 3g1l h ALA 188 N 1.27 1.00 -4.39 2.45 0.00 -1.33 -3.47 119.26 114.79 3g1l h ALA 188 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.77 3g1l h ALA 188 Cb 0.03 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.89 3g1l h ALA 188 CO -0.11 0.00 -0.59 0.41 0.00 0.00 0.00 179.25 178.96 3g1l n GLY 189 N 0.21 -0.47 3.54 0.00 0.00 -0.29 -4.98 105.19 103.21 3g1l n GLY 189 Ca 0.02 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3g1l n GLY 189 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g1l n GLU 190 N -3.97 0.29 -3.80 1.61 1.02 -0.05 -4.93 120.64 110.81 3g1l n GLU 190 Ca -0.10 0.15 -0.37 0.00 -0.02 0.00 0.00 57.16 56.83 3g1l n GLU 190 Cb 0.61 -2.06 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 3g1l n GLU 190 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3g1l s GLN 191 N -3.25 2.93 0.50 3.49 2.00 -1.26 -2.60 119.66 121.47 3g1l s GLN 191 Ca 0.68 -0.95 -0.06 0.00 -2.00 0.00 0.00 55.36 53.03 3g1l s GLN 191 Cb -0.33 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 3g1l s GLN 191 CO 0.55 -0.48 0.82 -1.25 -0.50 0.00 0.00 175.29 174.43 3g1l s PRO 192 N 1.44 3.56 0.04 1.67 0.04 -1.26 -5.22 135.00 135.27 3g1l s PRO 192 Ca 0.01 0.29 -0.27 0.00 0.04 0.00 0.00 61.00 61.07 3g1l s PRO 192 Cb -0.18 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 32.10 3g1l s PRO 192 CO 0.01 -0.25 0.67 -1.54 0.04 0.00 0.00 177.00 175.93 3g1l s SER 193 N -4.06 -0.60 0.26 6.66 1.04 -1.07 -4.91 113.70 111.02 3g1l s SER 193 Ca 0.49 0.37 -0.30 0.00 0.48 0.00 0.00 55.95 56.99 3g1l s SER 193 Cb -0.10 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.47 3g1l s SER 193 CO 0.45 -0.76 1.10 -0.69 0.98 0.00 0.00 173.24 174.33 3g1l s VAL 194 N -2.38 3.54 0.32 5.02 1.01 -1.26 -4.98 120.40 121.67 3g1l s VAL 194 Ca -0.05 1.52 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 3g1l s VAL 194 Cb -0.00 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 3g1l s VAL 194 CO -0.01 0.35 1.18 -2.65 0.00 0.00 0.00 175.10 173.97 3g1l n PRO 195 N 1.37 1.83 -0.28 2.72 -0.02 -1.26 -4.51 135.00 134.85 3g1l n PRO 195 Ca -0.01 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 3g1l n PRO 195 Cb 0.45 -2.15 0.38 0.00 -0.02 0.00 0.00 33.50 32.16 3g1l n PRO 195 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3g1l h GLU 196 N 2.32 0.66 0.00 -0.52 4.81 -1.95 0.27 114.58 120.18 3g1l h GLU 196 Ca -0.44 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3g1l h GLU 196 Cb 1.30 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3g1l h GLU 196 CO 0.62 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 179.34 3g1l n ALA 197 N -2.43 2.23 0.05 2.92 0.00 -1.26 -2.87 120.51 119.16 3g1l n ALA 197 Ca 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.50 3g1l n ALA 197 Cb 0.49 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 3g1l n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g1l n ARG 198 N -1.14 6.15 0.03 0.00 5.12 0.02 -4.82 116.66 122.03 3g1l n ARG 198 Ca 0.14 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.92 3g1l n ARG 198 Cb 0.12 -0.58 0.04 0.00 -1.16 0.00 0.00 32.46 30.88 3g1l n ARG 198 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3g1l h VAL 199 N 0.02 1.35 0.26 1.55 3.04 -1.24 -2.38 116.25 118.84 3g1l h VAL 199 Ca 0.00 -2.01 -0.01 0.00 -1.01 0.00 0.00 66.70 63.68 3g1l h VAL 199 Cb 0.03 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3g1l h VAL 199 CO 0.00 0.61 -0.16 0.25 -1.01 0.00 0.00 177.57 177.26 3g1l h LEU 200 N 0.33 -0.40 -1.33 3.16 6.46 -1.88 -1.27 115.31 120.39 3g1l h LEU 200 Ca -0.02 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3g1l h LEU 200 Cb 1.23 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.25 3g1l h LEU 200 CO 0.12 -0.26 0.44 0.44 -0.62 0.00 0.00 178.44 178.56 3g1l h ASP 201 N -0.40 0.78 0.05 1.25 3.45 -1.90 0.39 116.42 120.04 3g1l h ASP 201 Ca -0.02 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.41 3g1l h ASP 201 Cb 0.33 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3g1l h ASP 201 CO 0.02 0.57 -0.02 0.74 -1.57 0.00 0.00 179.24 178.98 3g1l h THR 202 N 0.91 1.07 -0.40 0.35 2.02 -1.00 -1.48 112.91 114.38 3g1l h THR 202 Ca 0.25 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3g1l h THR 202 Cb -0.10 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3g1l h THR 202 CO -0.05 0.10 0.01 -0.07 0.37 0.00 0.00 175.52 175.87 3g1l h LEU 203 N -0.24 0.68 -0.63 2.58 3.38 -0.93 -2.66 115.31 117.49 3g1l h LEU 203 Ca -0.01 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3g1l h LEU 203 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3g1l h LEU 203 CO 0.01 0.82 0.32 0.58 0.09 0.00 0.00 178.44 180.26 3g1l h VAL 204 N 0.53 1.21 -0.54 1.22 2.07 -0.89 -0.98 116.25 118.87 3g1l h VAL 204 Ca 0.11 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3g1l h VAL 204 Cb 0.46 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3g1l h VAL 204 CO 0.02 0.24 0.25 -0.74 0.02 0.00 0.00 177.57 177.36 3g1l h HIS 205 N 0.87 0.45 -0.37 1.57 -0.00 -1.10 -0.34 115.15 116.24 3g1l h HIS 205 Ca 0.22 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.47 3g1l h HIS 205 Cb 0.09 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3g1l h HIS 205 CO -0.00 0.20 -0.35 0.82 -0.00 0.00 0.00 177.93 178.59 3g1l h ILE 206 N 0.48 1.28 0.41 6.26 2.04 -1.07 -1.39 117.51 125.52 3g1l h ILE 206 Ca 0.25 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 3g1l h ILE 206 Cb 0.20 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3g1l h ILE 206 CO -0.20 0.50 -0.20 -0.50 0.00 0.00 0.00 178.15 177.76 3g1l h TRP 207 N 0.70 -0.51 -0.04 1.37 4.06 -0.86 -1.99 115.95 118.68 3g1l h TRP 207 Ca 0.07 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3g1l h TRP 207 Cb 0.91 0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 3g1l h TRP 207 CO 0.05 -0.23 0.01 0.28 -3.56 0.00 0.00 178.44 175.00 3g1l h VAL 208 N -0.72 0.99 -0.75 1.49 2.07 -1.02 0.35 116.25 118.67 3g1l h VAL 208 Ca -0.06 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3g1l h VAL 208 Cb 0.51 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3g1l h VAL 208 CO 0.09 0.01 0.39 0.71 0.02 0.00 0.00 177.57 178.79 3g1l h THR 209 N 0.04 1.23 -0.02 2.57 1.35 -1.32 -0.18 112.91 116.58 3g1l h THR 209 Ca 0.02 -0.61 -0.14 0.00 -0.55 0.00 0.00 66.41 65.13 3g1l h THR 209 Cb 0.01 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 66.67 3g1l h THR 209 CO -0.02 0.27 -0.65 0.77 -0.25 0.00 0.00 175.52 175.64 3g1l h SER 210 N 1.05 0.10 0.11 5.36 4.64 -1.14 0.69 113.55 124.36 3g1l h SER 210 Ca 0.26 -0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.30 3g1l h SER 210 Cb 0.07 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3g1l h SER 210 CO -0.04 0.72 -0.94 0.40 -0.87 0.00 0.00 176.83 176.10 3g1l h ILE 211 N 0.06 1.40 0.00 0.95 2.04 -0.76 -3.37 117.51 117.83 3g1l h ILE 211 Ca -0.01 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 3g1l h ILE 211 Cb 1.15 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 3g1l h ILE 211 CO 0.09 0.70 -1.10 -1.22 0.00 0.00 0.00 178.15 176.62 3g1l n TYR 212 N -4.02 0.01 -2.40 1.37 4.02 -0.09 -4.30 117.16 111.74 3g1l n TYR 212 Ca -0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.34 3g1l n TYR 212 Cb 0.86 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 40.07 3g1l n TYR 212 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3g1l s GLY 213 N -3.19 2.19 -0.01 2.72 0.00 0.23 -4.49 107.32 104.78 3g1l s GLY 213 Ca 0.06 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 45.34 3g1l s GLY 213 CO 0.87 2.19 1.07 -2.09 0.00 0.00 0.00 173.10 175.14 3g1l h GLU 214 N 7.23 0.38 0.00 2.90 4.57 -1.93 -3.46 114.58 124.27 3g1l h GLU 214 Ca -0.38 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.38 3g1l h GLU 214 Cb 1.19 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3g1l h GLU 214 CO 0.85 1.10 0.00 0.09 -1.18 0.00 0.00 179.01 179.88