#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4t s ALA 2 N 0.00 0.80 -0.48 3.04 0.00 -1.26 -4.86 121.76 119.00 3g4t s ALA 2 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3g4t s ALA 2 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3g4t s ALA 2 CO 0.00 -0.27 0.00 1.33 0.00 0.00 0.00 175.76 176.82 3g4t n VAL 3 N 4.67 -0.20 -3.44 0.00 0.24 -0.78 -5.06 118.33 113.76 3g4t n VAL 3 Ca -0.15 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.78 3g4t n VAL 3 Cb 0.50 -1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 31.73 3g4t n VAL 3 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3g4t s LEU 4 N -1.46 4.21 -0.20 1.34 0.20 0.24 -4.94 118.68 118.08 3g4t s LEU 4 Ca 0.00 0.56 -0.01 0.00 0.69 0.00 0.00 54.13 55.37 3g4t s LEU 4 Cb 0.00 -2.48 0.01 0.00 -0.43 0.00 0.00 46.19 43.29 3g4t s LEU 4 CO 0.00 0.01 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.19 3g4t s LYS 5 N 0.83 3.17 -0.06 1.98 2.20 -1.26 -0.90 119.74 125.70 3g4t s LYS 5 Ca 0.19 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 55.11 3g4t s LYS 5 Cb -0.14 -2.77 -0.00 0.00 -1.51 0.00 0.00 37.83 33.41 3g4t s LYS 5 CO 0.07 -0.20 -0.20 0.42 -0.36 0.00 0.00 175.35 175.08 3g4t s ILE 6 N 1.36 1.69 -0.04 5.43 1.01 0.48 0.35 121.20 131.49 3g4t s ILE 6 Ca 0.05 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.92 3g4t s ILE 6 Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 3g4t s ILE 6 CO -0.08 0.48 -0.24 -0.63 0.00 0.00 0.00 174.94 174.46 3g4t s ILE 7 N 0.07 1.98 -0.06 2.92 -1.09 -0.64 -0.16 121.20 124.22 3g4t s ILE 7 Ca -0.07 -1.04 0.05 0.00 -2.23 0.00 0.00 60.65 57.36 3g4t s ILE 7 Cb -0.14 -1.66 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 3g4t s ILE 7 CO 0.04 0.55 -0.23 -0.55 -1.23 0.00 0.00 174.94 173.52 3g4t s SER 8 N -0.32 3.25 -0.18 3.58 0.15 0.26 0.16 113.70 120.60 3g4t s SER 8 Ca 0.02 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.14 3g4t s SER 8 Cb -0.12 -0.93 0.09 0.00 -1.71 0.00 0.00 66.02 63.35 3g4t s SER 8 CO 0.02 0.25 0.38 0.86 1.20 0.00 0.00 173.24 175.94 3g4t s TRP 9 N -0.16 -0.71 -0.50 3.44 -0.00 -0.40 -0.08 118.94 120.53 3g4t s TRP 9 Ca -0.03 1.37 -0.27 0.00 -0.00 0.00 0.00 56.10 57.16 3g4t s TRP 9 Cb -0.14 0.21 0.03 0.00 -0.00 0.00 0.00 33.47 33.57 3g4t s TRP 9 CO 0.04 -0.46 1.07 1.21 -0.00 0.00 0.00 176.95 178.81 3g4t s ASN 10 N 2.56 6.53 0.02 5.86 3.84 -1.26 -1.42 114.94 131.07 3g4t s ASN 10 Ca -0.01 0.22 0.22 0.00 0.21 0.00 0.00 52.86 53.51 3g4t s ASN 10 Cb -0.12 -2.51 -0.05 0.00 -0.55 0.00 0.00 41.25 38.02 3g4t s ASN 10 CO -0.12 -1.25 0.95 0.55 -2.79 0.00 0.00 177.10 174.45 3g4t n VAL 11 N 6.64 0.08 -3.65 -5.21 3.14 -0.04 -4.14 118.33 115.16 3g4t n VAL 11 Ca 0.09 -0.17 -0.22 0.00 -2.96 0.00 0.00 64.34 61.08 3g4t n VAL 11 Cb 0.49 0.44 0.04 0.00 -1.06 0.00 0.00 33.84 33.75 3g4t n VAL 11 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3g4t n ASN 12 N -1.80 -2.19 0.00 6.55 5.15 -1.22 -4.61 115.26 117.14 3g4t n ASN 12 Ca 0.02 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 3g4t n ASN 12 Cb 0.41 -4.11 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 3g4t n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g4t n GLY 13 N -1.54 0.90 0.25 8.20 0.00 0.89 -4.77 105.19 109.12 3g4t n GLY 13 Ca -0.25 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 3g4t n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3g4t h LEU 14 N 0.00 0.78 -1.18 0.99 5.85 -1.16 -1.16 115.31 119.42 3g4t h LEU 14 Ca 0.00 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3g4t h LEU 14 Cb 0.00 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 3g4t h LEU 14 CO 0.00 0.79 0.56 0.03 -0.34 0.00 0.00 178.44 179.48 3g4t h ARG 15 N 0.73 1.06 0.28 1.25 3.08 -1.91 -1.09 114.38 117.78 3g4t h ARG 15 Ca 0.17 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3g4t h ARG 15 Cb 0.30 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3g4t h ARG 15 CO -0.00 0.70 -0.13 0.00 -1.07 0.00 0.00 179.97 179.47 3g4t h ALA 16 N 1.49 -0.37 -0.51 0.04 0.00 -1.71 -2.59 119.26 115.61 3g4t h ALA 16 Ca 0.32 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3g4t h ALA 16 Cb -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3g4t h ALA 16 CO -0.08 -0.69 0.07 -0.39 0.00 0.00 0.00 179.25 178.15 3g4t h VAL 17 N -0.40 1.23 -0.59 0.00 -1.51 -0.96 -2.34 116.25 111.68 3g4t h VAL 17 Ca -0.04 -0.90 0.12 0.00 -1.23 0.00 0.00 66.70 64.65 3g4t h VAL 17 Cb 0.31 0.77 -0.10 0.00 -2.13 0.00 0.00 31.29 30.13 3g4t h VAL 17 CO 0.06 0.33 -0.03 -0.74 -1.23 0.00 0.00 177.57 175.96 3g4t h HIS 18 N 0.77 -0.10 0.00 5.19 6.17 -1.14 0.15 115.15 126.19 3g4t h HIS 18 Ca 0.16 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.29 3g4t h HIS 18 Cb 0.37 0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.43 3g4t h HIS 18 CO 0.02 -0.18 0.00 0.54 0.71 0.00 0.00 177.93 179.02 3g4t n ARG 19 N -5.30 0.05 -0.46 5.26 1.74 -0.89 -1.39 116.66 115.67 3g4t n ARG 19 Ca 0.08 0.39 0.08 0.00 -0.77 0.00 0.00 57.85 57.62 3g4t n ARG 19 Cb 0.33 -1.62 0.27 0.00 -1.02 0.00 0.00 32.46 30.42 3g4t n ARG 19 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3g4t n LYS 20 N -1.72 3.19 -2.11 5.56 5.02 0.46 -4.98 118.16 123.59 3g4t n LYS 20 Ca 0.02 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 3g4t n LYS 20 Cb 0.12 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3g4t n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g4t n GLY 21 N -0.12 0.64 0.18 0.72 0.00 -0.48 -4.98 105.19 101.15 3g4t n GLY 21 Ca 0.21 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 3g4t n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g4t h PHE 22 N 0.00 0.04 -0.98 1.61 3.57 -1.46 -2.59 116.94 117.12 3g4t h PHE 22 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3g4t h PHE 22 Cb 0.96 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 3g4t h PHE 22 CO 0.00 -0.06 0.64 -0.07 -2.23 0.00 0.00 178.31 176.59 3g4t h LEU 23 N 0.15 1.07 0.42 0.59 3.38 -1.86 0.88 115.31 119.94 3g4t h LEU 23 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3g4t h LEU 23 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3g4t h LEU 23 CO -0.35 0.73 -0.29 0.50 0.09 0.00 0.00 178.44 179.12 3g4t h LYS 24 N 1.23 -0.67 -0.94 1.13 3.64 -1.88 0.21 116.57 119.30 3g4t h LYS 24 Ca 0.39 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.97 3g4t h LYS 24 Cb 0.01 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 3g4t h LYS 24 CO -0.12 -0.45 0.55 2.35 -2.27 0.00 0.00 179.45 179.51 3g4t h TRP 25 N -0.70 0.98 0.00 1.91 7.01 -1.12 -0.74 115.95 123.29 3g4t h TRP 25 Ca -0.04 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 3g4t h TRP 25 Cb 0.59 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3g4t h TRP 25 CO -0.12 0.29 -0.32 0.35 -2.79 0.00 0.00 178.44 175.85 3g4t h PHE 26 N 0.79 0.00 -0.16 2.65 -0.00 -0.00 -0.56 116.94 119.66 3g4t h PHE 26 Ca 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 58.37 3g4t h PHE 26 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.60 3g4t h PHE 26 CO -0.04 0.32 -0.30 1.98 -0.00 0.00 0.00 178.31 180.28 3g4t h MET 27 N 0.00 0.49 0.35 1.11 4.05 0.79 -3.38 114.93 118.33 3g4t h MET 27 Ca -0.00 -0.31 -0.02 0.00 -0.28 0.00 0.00 59.70 59.09 3g4t h MET 27 Cb 0.67 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 3g4t h MET 27 CO 0.04 0.91 -0.17 0.93 0.23 0.00 0.00 176.91 178.86 3g4t h GLU 28 N 0.12 -0.45 -6.34 0.39 5.08 -0.66 -3.37 114.58 109.35 3g4t h GLU 28 Ca 0.01 0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.86 3g4t h GLU 28 Cb 0.88 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3g4t h GLU 28 CO 0.07 -0.30 1.04 -2.00 -1.00 0.00 0.00 179.01 176.82 3g4t s GLU 29 N -3.43 4.20 -0.65 2.33 2.56 -0.27 -4.96 118.70 118.47 3g4t s GLU 29 Ca -0.07 2.23 -0.08 0.00 0.00 0.00 0.00 54.97 57.06 3g4t s GLU 29 Cb 0.01 -3.83 0.17 0.00 2.00 0.00 0.00 34.13 32.47 3g4t s GLU 29 CO 0.20 -0.79 0.52 0.15 -0.56 0.00 0.00 175.26 174.78 3g4t s LYS 30 N 3.45 2.85 0.41 4.30 3.01 -1.26 -4.54 119.74 127.97 3g4t s LYS 30 Ca 0.73 -2.34 -0.06 0.00 -1.01 0.00 0.00 55.97 53.30 3g4t s LYS 30 Cb -0.36 -3.98 -0.05 0.00 -1.01 0.00 0.00 37.83 32.44 3g4t s LYS 30 CO 0.31 -1.21 0.72 -1.25 0.51 0.00 0.00 175.35 174.42 3g4t s PRO 31 N 0.32 3.61 0.15 -1.68 0.04 -1.26 -4.94 135.00 131.24 3g4t s PRO 31 Ca 0.15 0.18 0.13 0.00 0.04 0.00 0.00 61.00 61.49 3g4t s PRO 31 Cb -0.19 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 3g4t s PRO 31 CO -0.04 -0.05 1.16 -0.44 0.04 0.00 0.00 177.00 177.66 3g4t h ASP 32 N 0.79 0.00 -3.83 6.66 3.32 -0.49 -3.45 116.42 119.42 3g4t h ASP 32 Ca -0.47 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.33 3g4t h ASP 32 Cb 1.20 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.47 3g4t h ASP 32 CO 0.63 0.71 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.51 3g4t s ILE 33 N -2.84 0.11 -0.14 0.35 1.01 -0.65 -1.64 121.20 117.40 3g4t s ILE 33 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3g4t s ILE 33 Cb 0.09 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.47 3g4t s ILE 33 CO 0.79 0.00 -0.12 -0.22 0.00 0.00 0.00 174.94 175.39 3g4t s LEU 34 N -0.11 1.52 -0.16 2.97 0.20 0.55 -1.62 118.68 122.05 3g4t s LEU 34 Ca -0.00 -0.43 -0.05 0.00 0.69 0.00 0.00 54.13 54.34 3g4t s LEU 34 Cb -0.01 -1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 3g4t s LEU 34 CO -0.00 -0.08 -0.00 0.00 -0.29 0.00 0.00 176.35 175.98 3g4t s LEU 36 N 0.30 2.22 0.14 0.00 1.43 0.77 -1.27 118.68 122.26 3g4t s LEU 36 Ca -0.01 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 3g4t s LEU 36 Cb -0.13 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 3g4t s LEU 36 CO 0.02 0.12 -0.17 -1.10 0.23 0.00 0.00 176.35 175.45 3g4t s GLN 37 N -1.44 1.16 -1.08 1.70 1.11 -0.51 -1.78 119.66 118.81 3g4t s GLN 37 Ca 0.07 -1.31 -0.02 0.00 0.01 0.00 0.00 55.36 54.11 3g4t s GLN 37 Cb -0.09 -1.16 0.00 0.00 -1.01 0.00 0.00 33.01 30.75 3g4t s GLN 37 CO 0.03 0.23 0.91 0.39 0.01 0.00 0.00 175.29 176.86 3g4t n GLU 38 N 0.47 -6.05 0.17 2.91 1.02 0.13 -0.86 120.64 118.43 3g4t n GLU 38 Ca -0.15 0.74 0.02 0.00 -0.02 0.00 0.00 57.16 57.75 3g4t n GLU 38 Cb 0.57 -5.45 0.33 0.00 -0.02 0.00 0.00 31.44 26.86 3g4t n GLU 38 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3g4t h ILE 39 N -1.81 1.29 -6.01 -3.67 3.07 -1.08 0.26 117.51 109.56 3g4t h ILE 39 Ca -0.51 -1.38 -0.40 0.00 1.55 0.00 0.00 64.86 64.12 3g4t h ILE 39 Cb 1.30 1.73 0.08 0.00 -0.27 0.00 0.00 36.82 39.66 3g4t h ILE 39 CO 0.45 0.40 -0.83 0.29 -1.05 0.00 0.00 178.15 177.40 3g4t n LYS 40 N -4.06 -4.71 -3.56 0.16 5.02 0.71 -0.88 118.16 110.84 3g4t n LYS 40 Ca -0.02 0.65 -0.09 0.00 -2.02 0.00 0.00 58.31 56.83 3g4t n LYS 40 Cb 0.43 -5.22 -0.04 0.00 -0.02 0.00 0.00 35.03 30.18 3g4t n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g4t s ALA 41 N -3.61 -1.92 0.16 7.82 0.00 -1.26 -4.46 121.76 118.50 3g4t s ALA 41 Ca 0.06 1.46 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 3g4t s ALA 41 Cb -0.01 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 3g4t s ALA 41 CO 0.80 -0.42 0.47 0.00 0.00 0.00 0.00 175.76 176.61 3g4t s ALA 42 N -1.69 3.66 0.29 0.00 0.00 -1.26 -4.64 121.76 118.13 3g4t s ALA 42 Ca 0.01 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.64 3g4t s ALA 42 Cb -0.01 -2.33 0.73 0.00 0.00 0.00 0.00 23.12 21.52 3g4t s ALA 42 CO -0.02 0.56 1.65 -1.35 0.00 0.00 0.00 175.76 176.61 3g4t h PRO 43 N 3.01 0.22 -0.06 0.00 0.11 -1.96 0.53 132.00 133.86 3g4t h PRO 43 Ca -0.47 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3g4t h PRO 43 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3g4t h PRO 43 CO 0.69 0.15 0.06 1.05 -0.21 0.00 0.00 178.00 179.74 3g4t h GLU 44 N 0.23 0.00 -0.00 1.05 9.09 -2.01 0.67 114.58 123.61 3g4t h GLU 44 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.97 3g4t h GLU 44 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 3g4t h GLU 44 CO -0.64 0.00 -0.02 1.04 0.05 0.00 0.00 179.01 179.44 3g4t n GLN 45 N -4.04 0.24 -3.38 1.06 6.02 0.17 -4.87 117.38 112.59 3g4t n GLN 45 Ca -0.02 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.58 3g4t n GLN 45 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 3g4t n GLN 45 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g4t s LEU 46 N -2.77 4.40 0.29 1.08 1.43 0.23 -4.99 118.68 118.34 3g4t s LEU 46 Ca 0.21 0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 53.99 3g4t s LEU 46 Cb 0.20 -2.69 -0.13 0.00 0.03 0.00 0.00 46.19 43.59 3g4t s LEU 46 CO 0.50 0.18 1.20 -2.65 0.23 0.00 0.00 176.35 175.82 3g4t n PRO 47 N 2.57 1.76 -0.23 1.29 -0.02 -1.26 -4.76 135.00 134.35 3g4t n PRO 47 Ca -0.10 0.62 0.25 0.00 -2.02 0.00 0.00 63.50 62.25 3g4t n PRO 47 Cb 0.52 -2.14 0.62 0.00 -0.02 0.00 0.00 33.50 32.48 3g4t n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4t h ARG 48 N 2.74 0.20 0.00 -0.52 3.08 -1.96 0.28 114.38 118.20 3g4t h ARG 48 Ca -0.43 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 3g4t h ARG 48 Cb 1.31 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3g4t h ARG 48 CO 0.65 0.13 -0.00 0.87 -1.07 0.00 0.00 179.97 180.55 3g4t h LYS 49 N 0.20 0.00 0.02 0.04 1.79 -1.88 -2.49 116.57 114.24 3g4t h LYS 49 Ca 0.48 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.56 3g4t h LYS 49 Cb 1.53 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.11 3g4t h LYS 49 CO -0.11 0.00 -2.41 1.28 -1.08 0.00 0.00 179.45 177.13 3g4t n LEU 50 N -3.15 2.77 0.24 2.94 4.77 0.95 -4.33 117.00 121.20 3g4t n LEU 50 Ca -0.03 -0.09 0.08 0.00 -0.03 0.00 0.00 56.01 55.95 3g4t n LEU 50 Cb 0.10 -0.86 0.58 0.00 -2.33 0.00 0.00 43.42 40.90 3g4t n LEU 50 CO 0.21 0.90 0.91 0.03 -1.33 0.00 0.00 177.39 178.12 3g4t h ARG 51 N 0.01 0.00 -4.22 3.23 3.08 -1.38 -3.39 114.38 111.71 3g4t h ARG 51 Ca -0.56 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 58.87 3g4t h ARG 51 Cb 1.94 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.59 3g4t h ARG 51 CO -0.06 0.18 -0.74 -1.01 -1.07 0.00 0.00 179.97 177.26 3g4t s HIS 52 N -4.42 2.79 -0.16 3.04 3.76 -0.95 -4.67 115.29 114.68 3g4t s HIS 52 Ca -0.03 -2.34 -0.03 0.00 -0.15 0.00 0.00 55.06 52.51 3g4t s HIS 52 Cb 0.15 -2.26 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3g4t s HIS 52 CO 0.66 -0.90 -0.07 0.08 -0.85 0.00 0.00 174.74 173.66 3g4t s VAL 53 N 1.24 3.53 -0.18 -0.90 1.01 -1.26 -4.72 120.40 119.12 3g4t s VAL 53 Ca 0.08 -0.48 -0.39 0.00 0.00 0.00 0.00 61.98 61.19 3g4t s VAL 53 Cb -0.18 -2.54 -0.15 0.00 0.00 0.00 0.00 36.38 33.51 3g4t s VAL 53 CO -0.14 0.49 1.70 -0.62 0.00 0.00 0.00 175.10 176.52 3g4t n GLU 54 N 3.79 1.34 -0.48 2.72 -0.58 -1.26 -1.64 120.64 124.53 3g4t n GLU 54 Ca -0.18 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 3g4t n GLU 54 Cb 0.52 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 3g4t n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g4t n GLY 55 N 3.93 0.74 3.19 0.62 0.00 -1.26 -5.04 105.19 107.38 3g4t n GLY 55 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 3g4t n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g4t s TYR 56 N -2.76 1.47 -0.14 1.61 2.02 -0.65 -4.26 117.35 114.64 3g4t s TYR 56 Ca 0.00 -0.37 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 3g4t s TYR 56 Cb 0.00 -0.86 -0.05 0.00 -0.40 0.00 0.00 41.96 40.65 3g4t s TYR 56 CO 0.00 0.07 0.20 1.03 -1.57 0.00 0.00 175.55 175.28 3g4t s ARG 57 N -1.24 3.94 -0.13 -0.62 1.81 0.63 -4.58 118.95 118.75 3g4t s ARG 57 Ca 0.04 -0.05 -0.02 0.00 -1.72 0.00 0.00 55.73 53.98 3g4t s ARG 57 Cb -0.08 -3.33 -0.03 0.00 -0.45 0.00 0.00 34.95 31.06 3g4t s ARG 57 CO 0.02 0.48 -0.06 -1.54 -0.68 0.00 0.00 175.30 173.51 3g4t s SER 58 N -0.21 4.62 -0.11 0.23 1.04 -1.26 -0.73 113.70 117.28 3g4t s SER 58 Ca 0.14 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.45 3g4t s SER 58 Cb -0.12 -1.63 0.01 0.00 0.10 0.00 0.00 66.02 64.37 3g4t s SER 58 CO 0.03 0.21 -0.20 -0.36 0.98 0.00 0.00 173.24 173.89 3g4t s PHE 59 N 0.13 2.32 -0.09 5.02 0.40 0.58 -4.99 117.98 121.34 3g4t s PHE 59 Ca -0.02 -1.02 0.04 0.00 -0.60 0.00 0.00 56.93 55.32 3g4t s PHE 59 Cb -0.14 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 3g4t s PHE 59 CO 0.03 -0.45 -0.22 -0.06 0.70 0.00 0.00 175.22 175.22 3g4t s PHE 60 N 0.61 2.59 -0.51 0.36 0.40 -1.26 -0.40 117.98 119.77 3g4t s PHE 60 Ca -0.13 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.39 3g4t s PHE 60 Cb -0.17 -1.71 0.14 0.00 0.51 0.00 0.00 43.02 41.80 3g4t s PHE 60 CO 0.04 -0.30 0.30 0.99 0.70 0.00 0.00 175.22 176.95 3g4t s THR 61 N 0.17 1.89 0.64 0.64 2.01 0.01 -5.02 115.64 115.98 3g4t s THR 61 Ca -0.12 -3.08 -0.11 0.00 0.31 0.00 0.00 61.69 58.69 3g4t s THR 61 Cb -0.16 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 3g4t s THR 61 CO 0.07 -0.92 1.04 -2.16 -0.69 0.00 0.00 174.62 171.96 3g4t s PRO 62 N -0.18 3.39 0.44 4.92 0.04 -1.26 -1.75 135.00 140.60 3g4t s PRO 62 Ca 0.20 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 61.77 3g4t s PRO 62 Cb -0.18 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3g4t s PRO 62 CO -0.05 -0.72 1.03 0.00 0.04 0.00 0.00 177.00 177.30 3g4t s ALA 63 N -3.18 2.98 0.19 8.56 0.00 -1.25 -4.30 121.76 124.77 3g4t s ALA 63 Ca 0.56 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 3g4t s ALA 63 Cb -0.12 -3.24 0.23 0.00 0.00 0.00 0.00 23.12 19.99 3g4t s ALA 63 CO 0.54 -0.20 1.71 0.93 0.00 0.00 0.00 175.76 178.74 3g4t h GLU 64 N 2.00 0.23 -6.55 0.00 5.08 -1.73 -3.40 114.58 110.21 3g4t h GLU 64 Ca -0.49 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.33 3g4t h GLU 64 Cb 1.21 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.44 3g4t h GLU 64 CO 0.61 0.15 0.88 0.50 -1.00 0.00 0.00 179.01 180.15 3g4t s ARG 65 N -6.13 4.23 0.18 2.33 3.52 -1.26 -4.94 118.95 116.88 3g4t s ARG 65 Ca -0.13 2.30 -0.30 0.00 -0.13 0.00 0.00 55.73 57.46 3g4t s ARG 65 Cb 0.16 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 30.19 3g4t s ARG 65 CO 0.73 -0.61 1.31 0.21 -0.81 0.00 0.00 175.30 176.13 3g4t s LYS 66 N 1.50 4.39 -1.29 5.12 2.20 -1.26 -3.01 119.74 127.39 3g4t s LYS 66 Ca 0.70 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 3g4t s LYS 66 Cb -0.41 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3g4t s LYS 66 CO 0.31 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 3g4t n GLY 67 N 2.52 1.29 3.35 5.54 0.00 -1.26 -5.01 105.19 111.63 3g4t n GLY 67 Ca 0.07 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 3g4t n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g4t s TYR 68 N -2.36 2.42 0.00 1.61 5.04 -1.16 -4.70 117.35 118.19 3g4t s TYR 68 Ca 0.00 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 3g4t s TYR 68 Cb 0.00 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.80 3g4t s TYR 68 CO 0.00 0.04 0.00 0.45 -1.34 0.00 0.00 175.55 174.70 3g4t n SER 69 N 2.31 0.00 0.00 4.32 2.88 -1.26 -3.90 113.62 117.97 3g4t n SER 69 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 3g4t n SER 69 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3g4t n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g4t n GLY 70 N 0.00 -0.60 3.33 0.46 0.00 -0.80 -0.21 105.19 107.37 3g4t n GLY 70 Ca 0.00 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 3g4t n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4t s VAL 71 N -1.05 1.73 0.03 1.61 -7.23 -0.66 0.17 120.40 115.00 3g4t s VAL 71 Ca 0.00 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.13 3g4t s VAL 71 Cb 0.00 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 3g4t s VAL 71 CO 0.00 -0.45 0.01 0.00 -0.31 0.00 0.00 175.10 174.35 3g4t s ALA 72 N -2.45 0.12 -0.04 1.32 0.00 -0.74 -0.81 121.76 119.17 3g4t s ALA 72 Ca 0.18 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.49 3g4t s ALA 72 Cb -0.04 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3g4t s ALA 72 CO 0.06 -0.23 -0.04 1.41 0.00 0.00 0.00 175.76 176.96 3g4t s MET 73 N -2.14 0.75 -0.17 0.00 1.75 0.46 -0.16 119.30 119.79 3g4t s MET 73 Ca -0.09 -0.08 -0.06 0.00 -1.25 0.00 0.00 55.69 54.21 3g4t s MET 73 Cb -0.05 -0.78 -0.04 0.00 2.84 0.00 0.00 34.83 36.81 3g4t s MET 73 CO -0.03 -0.09 0.02 0.71 -0.65 0.00 0.00 175.02 174.98 3g4t s TYR 74 N 0.92 3.16 -0.03 4.11 1.51 0.49 -0.31 117.35 127.19 3g4t s TYR 74 Ca -0.11 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3g4t s TYR 74 Cb -0.14 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 3g4t s TYR 74 CO -0.00 0.09 -0.01 -0.08 -1.11 0.00 0.00 175.55 174.44 3g4t s THR 75 N 0.32 0.24 0.37 -0.71 -1.32 0.09 -0.33 115.64 114.30 3g4t s THR 75 Ca 0.00 0.04 0.06 0.00 -1.21 0.00 0.00 61.69 60.59 3g4t s THR 75 Cb -0.13 -0.31 0.20 0.00 -1.51 0.00 0.00 72.50 70.74 3g4t s THR 75 CO 0.01 0.15 1.95 0.11 -2.21 0.00 0.00 174.62 174.63 3g4t h LYS 76 N 7.18 0.46 -4.94 7.08 1.57 -1.49 0.18 116.57 126.61 3g4t h LYS 76 Ca -0.42 -0.07 -0.65 0.00 -1.87 0.00 0.00 60.65 57.64 3g4t h LYS 76 Cb 1.14 -0.08 -0.35 0.00 0.08 0.00 0.00 32.23 33.02 3g4t h LYS 76 CO 0.48 0.44 -0.85 0.08 -0.57 0.00 0.00 179.45 179.03 3g4t s VAL 77 N -5.09 1.91 0.48 0.50 1.01 -1.26 -4.76 120.40 113.19 3g4t s VAL 77 Ca -0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 3g4t s VAL 77 Cb 0.16 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 3g4t s VAL 77 CO 0.75 0.52 0.83 -2.65 0.00 0.00 0.00 175.10 174.55 3g4t n PRO 78 N 4.66 0.97 -2.18 2.72 -0.02 -1.26 -5.03 135.00 134.86 3g4t n PRO 78 Ca -0.20 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.35 3g4t n PRO 78 Cb 0.50 -1.91 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 3g4t n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3g4t s PRO 79 N -2.10 3.57 0.21 0.52 0.04 -1.26 -4.92 135.00 131.05 3g4t s PRO 79 Ca 0.67 0.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 3g4t s PRO 79 Cb -0.52 -2.20 0.15 0.00 0.04 0.00 0.00 34.50 31.98 3g4t s PRO 79 CO 0.55 -0.43 1.83 0.77 0.04 0.00 0.00 177.00 179.76 3g4t h SER 80 N -0.10 0.95 -5.43 6.66 0.02 -0.34 -3.47 113.55 111.84 3g4t h SER 80 Ca -0.45 -0.09 -0.22 0.00 -0.84 0.00 0.00 61.79 60.19 3g4t h SER 80 Cb 1.20 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 3g4t h SER 80 CO 0.62 0.76 -0.12 -0.94 -1.14 0.00 0.00 176.83 176.01 3g4t s SER 81 N -6.06 0.69 -0.27 3.07 1.04 -1.26 -5.02 113.70 105.89 3g4t s SER 81 Ca -0.13 -1.39 -0.00 0.00 0.48 0.00 0.00 55.95 54.91 3g4t s SER 81 Cb 0.15 0.68 0.15 0.00 0.10 0.00 0.00 66.02 67.10 3g4t s SER 81 CO 0.80 -1.33 0.38 -0.22 0.98 0.00 0.00 173.24 173.85 3g4t s LEU 82 N -3.19 -0.66 -0.04 2.42 1.98 -1.26 -2.51 118.68 115.42 3g4t s LEU 82 Ca 0.28 -0.20 -0.19 0.00 -2.89 0.00 0.00 54.13 51.13 3g4t s LEU 82 Cb -0.01 1.04 -0.05 0.00 0.66 0.00 0.00 46.19 47.83 3g4t s LEU 82 CO 0.18 -0.34 0.52 -0.60 -1.89 0.00 0.00 176.35 174.22 3g4t s ARG 83 N 2.52 4.25 0.00 1.98 3.52 -0.16 -4.91 118.95 126.15 3g4t s ARG 83 Ca 0.11 0.58 0.14 0.00 -0.13 0.00 0.00 55.73 56.43 3g4t s ARG 83 Cb -0.14 -3.35 0.33 0.00 -1.56 0.00 0.00 34.95 30.23 3g4t s ARG 83 CO -0.25 0.37 1.24 0.39 -0.81 0.00 0.00 175.30 176.24 3g4t n GLU 84 N 2.84 2.36 -3.85 5.12 1.02 -1.26 -0.22 120.64 126.64 3g4t n GLU 84 Ca -0.08 -2.00 -0.08 0.00 -0.02 0.00 0.00 57.16 54.97 3g4t n GLU 84 Cb 0.51 -1.34 -0.01 0.00 -0.02 0.00 0.00 31.44 30.59 3g4t n GLU 84 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3g4t s GLY 85 N -1.06 0.12 0.00 0.62 0.00 -1.26 -4.43 107.32 101.31 3g4t s GLY 85 Ca 0.27 -0.51 0.26 0.00 0.00 0.00 0.00 44.72 44.74 3g4t s GLY 85 CO 0.20 -0.20 1.53 0.69 0.00 0.00 0.00 173.10 175.31 3g4t n PHE 86 N -0.49 0.00 -0.76 1.90 3.72 -1.26 -4.93 117.46 115.64 3g4t n PHE 86 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3g4t n PHE 86 Cb 0.59 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3g4t n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g4t n GLY 87 N 1.35 0.56 2.98 1.37 0.00 -1.26 -5.05 105.19 105.13 3g4t n GLY 87 Ca 0.12 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3g4t n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4t s VAL 88 N -2.00 1.50 0.17 1.61 0.11 -1.26 -5.06 120.40 115.47 3g4t s VAL 88 Ca 0.00 -0.79 -0.19 0.00 -2.93 0.00 0.00 61.98 58.06 3g4t s VAL 88 Cb 0.00 -1.54 0.11 0.00 -1.53 0.00 0.00 36.38 33.42 3g4t s VAL 88 CO 0.00 0.26 1.63 -0.08 -3.33 0.00 0.00 175.10 173.57 3g4t h GLU 89 N 8.03 -0.14 -0.77 1.54 4.22 -1.98 -1.35 114.58 124.14 3g4t h GLU 89 Ca -0.30 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.22 3g4t h GLU 89 Cb 1.11 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 3g4t h GLU 89 CO 0.48 -0.09 0.50 0.07 -2.18 0.00 0.00 179.01 177.79 3g4t h ARG 90 N -0.14 0.77 0.00 1.92 0.11 -2.02 -1.67 114.38 113.35 3g4t h ARG 90 Ca 0.20 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3g4t h ARG 90 Cb 0.46 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3g4t h ARG 90 CO -0.51 0.51 -0.40 0.74 0.10 0.00 0.00 179.97 180.41 3g4t h PHE 91 N 0.80 0.00 0.00 4.08 0.05 -1.68 -3.38 116.94 116.81 3g4t h PHE 91 Ca 0.34 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.11 3g4t h PHE 91 Cb 0.29 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.24 3g4t h PHE 91 CO -0.00 0.00 -1.23 -0.25 -0.18 0.00 0.00 178.31 176.65 3g4t n ASP 92 N -2.23 0.69 0.06 2.17 9.92 -0.65 -4.40 116.55 122.12 3g4t n ASP 92 Ca 0.04 0.27 0.11 0.00 -0.53 0.00 0.00 54.79 54.68 3g4t n ASP 92 Cb 0.44 0.72 -0.03 0.00 -0.64 0.00 0.00 41.12 41.61 3g4t n ASP 92 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3g4t n THR 93 N -2.62 0.39 -2.46 -3.53 -2.24 -1.10 -4.77 114.28 97.95 3g4t n THR 93 Ca -0.02 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 3g4t n THR 93 Cb 0.58 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3g4t n THR 93 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g4t s GLU 94 N -3.36 3.87 -1.44 -0.78 2.02 -1.26 -1.91 118.70 115.84 3g4t s GLU 94 Ca -0.01 1.11 -0.07 0.00 0.02 0.00 0.00 54.97 56.02 3g4t s GLU 94 Cb 0.12 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 32.27 3g4t s GLU 94 CO 0.82 -0.34 2.60 0.41 0.02 0.00 0.00 175.26 178.77 3g4t n GLY 95 N -1.01 4.85 0.00 -1.39 0.00 -1.26 -4.56 105.19 101.82 3g4t n GLY 95 Ca 0.08 -1.84 0.06 0.00 0.00 0.00 0.00 46.02 44.31 3g4t n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4t n ARG 96 N 2.45 0.98 -3.96 1.61 1.74 -1.26 -1.66 116.66 116.56 3g4t n ARG 96 Ca 0.69 -0.08 -0.29 0.00 -0.77 0.00 0.00 57.85 57.39 3g4t n ARG 96 Cb 0.24 -1.21 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 3g4t n ARG 96 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g4t s ILE 97 N -2.62 1.37 -0.16 0.55 1.01 -1.26 -1.04 121.20 119.04 3g4t s ILE 97 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3g4t s ILE 97 Cb 0.07 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 41.19 3g4t s ILE 97 CO 0.46 0.31 -0.09 -1.10 0.00 0.00 0.00 174.94 174.52 3g4t s GLN 98 N 1.55 1.84 -0.33 2.79 -0.21 -0.17 -4.32 119.66 120.80 3g4t s GLN 98 Ca 0.03 -0.55 -0.01 0.00 0.02 0.00 0.00 55.36 54.85 3g4t s GLN 98 Cb -0.14 -2.05 0.08 0.00 1.00 0.00 0.00 33.01 31.90 3g4t s GLN 98 CO -0.09 -0.34 0.06 0.42 -2.12 0.00 0.00 175.29 173.21 3g4t s ILE 99 N 1.55 2.90 -0.23 1.08 1.01 0.69 -0.13 121.20 128.07 3g4t s ILE 99 Ca 0.02 -1.76 -0.05 0.00 0.00 0.00 0.00 60.65 58.86 3g4t s ILE 99 Cb -0.14 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3g4t s ILE 99 CO -0.09 -0.35 0.01 0.00 0.00 0.00 0.00 174.94 174.51 3g4t s ALA 100 N 1.15 2.96 -0.49 9.38 0.00 -0.01 -0.99 121.76 133.77 3g4t s ALA 100 Ca 0.01 -1.16 -0.28 0.00 0.00 0.00 0.00 51.96 50.53 3g4t s ALA 100 Cb -0.21 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.08 3g4t s ALA 100 CO -0.03 -0.46 1.09 0.34 0.00 0.00 0.00 175.76 176.69 3g4t s ASP 101 N 1.54 6.57 -0.32 0.00 -1.08 -1.04 0.21 116.67 122.54 3g4t s ASP 101 Ca 0.06 0.32 0.09 0.00 -0.52 0.00 0.00 52.55 52.50 3g4t s ASP 101 Cb -0.15 -2.52 0.63 0.00 -1.46 0.00 0.00 42.92 39.43 3g4t s ASP 101 CO -0.00 -1.23 1.68 0.49 0.52 0.00 0.00 175.17 176.63 3g4t n PHE 102 N 7.75 1.99 0.00 -5.34 3.01 0.31 0.50 117.46 125.67 3g4t n PHE 102 Ca 0.10 -1.40 0.00 0.00 1.01 0.00 0.00 57.45 57.16 3g4t n PHE 102 Cb 0.49 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 3g4t n PHE 102 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3g4t n ASP 103 N -0.68 0.00 -0.26 4.37 9.92 -1.26 -4.04 116.55 124.60 3g4t n ASP 103 Ca 0.40 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.66 3g4t n ASP 103 Cb 1.28 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.82 3g4t n ASP 103 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3g4t h ASP 104 N 0.00 -0.93 -4.96 -2.24 5.19 -1.95 -3.43 116.42 108.11 3g4t h ASP 104 Ca 0.00 0.24 -0.19 0.00 -0.62 0.00 0.00 57.03 56.46 3g4t h ASP 104 Cb 0.00 0.54 -0.20 0.00 0.18 0.00 0.00 39.33 39.85 3g4t h ASP 104 CO 0.00 -0.28 -0.70 0.72 -3.12 0.00 0.00 179.24 175.86 3g4t s PHE 105 N -6.14 0.38 0.26 4.55 -0.71 -1.26 -4.13 117.98 110.93 3g4t s PHE 105 Ca -0.14 -0.59 -0.28 0.00 -1.04 0.00 0.00 56.93 54.88 3g4t s PHE 105 Cb 0.20 -0.26 -0.09 0.00 -1.21 0.00 0.00 43.02 41.66 3g4t s PHE 105 CO 0.73 -0.19 0.92 -0.51 -1.34 0.00 0.00 175.22 174.83 3g4t s LEU 106 N -1.66 4.52 -0.23 -1.99 1.43 -0.14 -0.53 118.68 120.08 3g4t s LEU 106 Ca -0.12 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 3g4t s LEU 106 Cb -0.08 -3.72 0.04 0.00 0.03 0.00 0.00 46.19 42.46 3g4t s LEU 106 CO -0.02 0.08 -0.13 -0.22 0.23 0.00 0.00 176.35 176.29 3g4t s LEU 107 N -1.51 2.89 -0.34 1.79 2.96 0.13 -0.66 118.68 123.94 3g4t s LEU 107 Ca 0.44 -0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 53.18 3g4t s LEU 107 Cb -0.23 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3g4t s LEU 107 CO 0.28 -0.10 0.53 -0.31 -1.32 0.00 0.00 176.35 175.43 3g4t s TYR 108 N 1.23 3.18 -0.39 5.38 1.51 0.21 -0.83 117.35 127.64 3g4t s TYR 108 Ca -0.01 0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 56.19 3g4t s TYR 108 Cb -0.16 -2.93 0.05 0.00 -0.11 0.00 0.00 41.96 38.80 3g4t s TYR 108 CO -0.08 -0.52 0.23 1.21 -1.11 0.00 0.00 175.55 175.28 3g4t s ASN 109 N 1.74 5.73 -0.04 2.29 3.84 0.82 0.78 114.94 130.10 3g4t s ASN 109 Ca 0.20 -1.17 0.04 0.00 0.21 0.00 0.00 52.86 52.14 3g4t s ASN 109 Cb -0.15 -2.02 -0.00 0.00 -0.55 0.00 0.00 41.25 38.52 3g4t s ASN 109 CO 0.13 -0.45 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.20 3g4t s ILE 110 N 1.52 1.35 -0.52 -5.21 -1.09 0.12 -1.00 121.20 116.38 3g4t s ILE 110 Ca 0.02 -0.67 -0.08 0.00 -2.23 0.00 0.00 60.65 57.70 3g4t s ILE 110 Cb -0.21 -1.17 0.13 0.00 -1.58 0.00 0.00 42.46 39.64 3g4t s ILE 110 CO 0.05 0.39 0.38 -0.47 -1.23 0.00 0.00 174.94 174.06 3g4t s TYR 111 N 0.11 3.47 0.34 3.97 5.04 -0.21 -1.95 117.35 128.13 3g4t s TYR 111 Ca -0.05 -2.07 -0.27 0.00 -2.44 0.00 0.00 57.07 52.24 3g4t s TYR 111 Cb -0.12 -3.45 -0.09 0.00 0.35 0.00 0.00 41.96 38.65 3g4t s TYR 111 CO 0.02 -0.97 1.11 -0.06 -1.34 0.00 0.00 175.55 174.31 3g4t s PHE 112 N 1.03 3.35 0.35 4.97 0.40 -0.06 -4.74 117.98 123.28 3g4t s PHE 112 Ca 0.09 1.64 -0.29 0.00 -0.60 0.00 0.00 56.93 57.77 3g4t s PHE 112 Cb -0.24 -3.28 -0.11 0.00 0.51 0.00 0.00 43.02 39.91 3g4t s PHE 112 CO -0.02 -0.79 1.45 -2.14 0.70 0.00 0.00 175.22 174.42 3g4t s PRO 113 N -1.96 4.18 0.30 0.24 0.02 -1.26 -4.66 135.00 131.86 3g4t s PRO 113 Ca 0.51 2.46 -0.28 0.00 0.02 0.00 0.00 61.00 63.71 3g4t s PRO 113 Cb -0.29 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.13 3g4t s PRO 113 CO 0.37 -0.45 1.09 1.21 -0.33 0.00 0.00 177.00 178.89 3g4t s ASN 114 N -0.14 7.19 0.00 2.53 3.84 -1.26 -4.84 114.94 122.25 3g4t s ASN 114 Ca 0.53 2.22 0.07 0.00 0.21 0.00 0.00 52.86 55.90 3g4t s ASN 114 Cb -0.45 -2.62 0.18 0.00 -0.55 0.00 0.00 41.25 37.82 3g4t s ASN 114 CO 0.58 -0.20 1.10 0.61 -2.79 0.00 0.00 177.10 176.40 3g4t n GLY 115 N 1.06 2.31 0.14 1.21 0.00 -1.26 -4.68 105.19 103.96 3g4t n GLY 115 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 3g4t n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4t h LYS 116 N 1.37 0.07 0.00 1.61 1.57 -1.93 -3.32 116.57 115.94 3g4t h LYS 116 Ca 0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3g4t h LYS 116 Cb 0.60 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3g4t h LYS 116 CO 0.00 0.72 -0.52 0.00 -0.57 0.00 0.00 179.45 179.08 3g4t h MET 117 N 0.05 0.00 -2.31 3.15 -0.00 -1.98 -3.47 114.93 110.36 3g4t h MET 117 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.63 3g4t h MET 117 Cb 1.20 0.00 -0.18 0.00 -0.00 0.00 0.00 31.60 32.62 3g4t h MET 117 CO 0.09 0.18 0.15 -1.54 -0.00 0.00 0.00 176.91 175.79 3g4t s SER 118 N -6.06 -0.59 0.21 -0.10 1.04 -1.26 -5.01 113.70 101.93 3g4t s SER 118 Ca 0.03 0.50 -0.10 0.00 0.48 0.00 0.00 55.95 56.87 3g4t s SER 118 Cb 0.07 0.53 0.31 0.00 0.10 0.00 0.00 66.02 67.03 3g4t s SER 118 CO 0.73 -0.67 1.69 -0.33 0.98 0.00 0.00 173.24 175.64 3g4t h GLU 119 N 2.87 0.20 -0.13 4.02 5.08 -1.91 -0.45 114.58 124.25 3g4t h GLU 119 Ca -0.29 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 3g4t h GLU 119 Cb 1.18 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3g4t h GLU 119 CO 0.39 0.13 -0.23 1.49 -1.00 0.00 0.00 179.01 179.79 3g4t h GLU 120 N 0.20 0.23 0.01 2.33 4.81 -1.95 -0.20 114.58 120.03 3g4t h GLU 120 Ca 0.33 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 59.23 3g4t h GLU 120 Cb 0.51 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.89 3g4t h GLU 120 CO -0.46 0.46 -0.99 0.00 -0.73 0.00 0.00 179.01 177.29 3g4t h ARG 121 N 0.21 0.65 -0.90 1.92 2.47 -1.77 -1.18 114.38 115.78 3g4t h ARG 121 Ca 0.04 -0.71 0.08 0.00 -1.26 0.00 0.00 59.98 58.13 3g4t h ARG 121 Cb 0.53 0.21 -0.07 0.00 -1.65 0.00 0.00 29.97 28.99 3g4t h ARG 121 CO 0.04 1.30 0.55 1.25 0.56 0.00 0.00 179.97 183.66 3g4t h LEU 122 N 0.29 0.84 -0.27 3.04 5.85 -0.76 0.11 115.31 124.40 3g4t h LEU 122 Ca -0.13 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3g4t h LEU 122 Cb 1.65 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 3g4t h LEU 122 CO 0.19 0.50 0.09 0.50 -0.34 0.00 0.00 178.44 179.39 3g4t h LYS 123 N 0.95 0.42 -1.00 1.25 3.64 -1.00 -2.37 116.57 118.46 3g4t h LYS 123 Ca 0.41 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.82 3g4t h LYS 123 Cb 0.28 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 3g4t h LYS 123 CO -0.21 0.48 0.63 -0.92 -2.27 0.00 0.00 179.45 177.16 3g4t h TYR 124 N 0.28 1.14 -0.06 1.91 3.20 -0.51 -1.47 116.97 121.46 3g4t h TYR 124 Ca 0.09 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3g4t h TYR 124 Cb 0.23 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 3g4t h TYR 124 CO 0.00 0.47 0.03 -0.22 -1.64 0.00 0.00 178.16 176.80 3g4t h LYS 125 N 1.00 0.08 -0.07 1.82 3.64 -0.46 -0.40 116.57 122.19 3g4t h LYS 125 Ca 0.49 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.75 3g4t h LYS 125 Cb 0.46 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3g4t h LYS 125 CO -0.25 0.16 -0.46 -0.07 -2.27 0.00 0.00 179.45 176.55 3g4t h LEU 126 N -0.01 0.17 -0.47 5.20 3.38 -1.12 0.42 115.31 122.88 3g4t h LEU 126 Ca 0.02 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3g4t h LEU 126 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3g4t h LEU 126 CO -0.00 0.61 -0.75 -0.33 0.09 0.00 0.00 178.44 178.06 3g4t h GLU 127 N 0.13 0.00 0.37 1.13 5.08 -1.15 -1.68 114.58 118.46 3g4t h GLU 127 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3g4t h GLU 127 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3g4t h GLU 127 CO 0.07 0.75 -0.18 0.35 -1.00 0.00 0.00 179.01 179.00 3g4t h PHE 128 N 0.00 -0.47 -0.92 4.33 3.57 -0.68 -1.39 116.94 121.39 3g4t h PHE 128 Ca -0.01 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.69 3g4t h PHE 128 Cb 1.35 0.15 -0.17 0.00 2.79 0.00 0.00 35.95 40.07 3g4t h PHE 128 CO 0.00 -0.17 -0.13 1.88 -2.23 0.00 0.00 178.31 177.66 3g4t h TYR 129 N -0.73 -0.31 0.53 0.41 0.99 -0.86 0.22 116.97 117.23 3g4t h TYR 129 Ca -0.05 0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 3g4t h TYR 129 Cb 0.50 0.28 0.01 0.00 1.00 0.00 0.00 36.73 38.52 3g4t h TYR 129 CO 0.00 -0.38 -0.26 -0.44 -0.00 0.00 0.00 178.16 177.08 3g4t h ASP 130 N 0.02 -0.61 -0.74 3.88 3.32 -1.11 -1.60 116.42 119.59 3g4t h ASP 130 Ca 0.48 -0.04 0.14 0.00 0.02 0.00 0.00 57.03 57.63 3g4t h ASP 130 Cb 0.83 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.44 3g4t h ASP 130 CO -0.90 -0.31 0.26 0.00 -1.72 0.00 0.00 179.24 176.56 3g4t h ALA 131 N -0.52 1.01 0.02 3.45 0.00 -0.35 -1.41 119.26 121.46 3g4t h ALA 131 Ca -0.07 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3g4t h ALA 131 Cb 0.61 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3g4t h ALA 131 CO 0.12 -0.25 -0.27 0.35 0.00 0.00 0.00 179.25 179.20 3g4t h PHE 132 N 0.38 -0.72 -0.22 0.00 3.57 -0.39 -2.10 116.94 117.46 3g4t h PHE 132 Ca 0.41 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.99 3g4t h PHE 132 Cb 0.64 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 3g4t h PHE 132 CO -0.19 -0.36 -0.21 1.25 -2.23 0.00 0.00 178.31 176.57 3g4t h LEU 133 N -0.42 -0.66 -0.36 0.59 6.46 -0.26 -0.15 115.31 120.50 3g4t h LEU 133 Ca 0.06 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 58.02 3g4t h LEU 133 Cb 0.50 0.32 -0.08 0.00 -0.73 0.00 0.00 40.66 40.66 3g4t h LEU 133 CO -0.22 -0.25 -0.20 -0.33 -0.62 0.00 0.00 178.44 176.82 3g4t h GLU 134 N -0.22 -0.13 0.22 1.25 5.08 -1.30 0.67 114.58 120.15 3g4t h GLU 134 Ca 0.13 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3g4t h GLU 134 Cb 0.42 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3g4t h GLU 134 CO -0.35 -0.09 -0.24 0.22 -1.00 0.00 0.00 179.01 177.55 3g4t h ASP 135 N -0.14 -0.66 0.07 1.42 3.58 -0.74 0.90 116.42 120.85 3g4t h ASP 135 Ca 0.18 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 3g4t h ASP 135 Cb 0.42 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 3g4t h ASP 135 CO -0.45 -0.35 -0.23 1.62 -2.88 0.00 0.00 179.24 176.95 3g4t h VAL 136 N -0.51 1.24 -0.06 2.25 3.04 -0.75 -2.64 116.25 118.83 3g4t h VAL 136 Ca 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.58 3g4t h VAL 136 Cb 0.48 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3g4t h VAL 136 CO -0.07 0.34 -0.04 0.78 -1.01 0.00 0.00 177.57 177.57 3g4t h ASN 137 N 0.26 0.13 -0.54 3.17 2.35 -0.53 -1.29 115.58 119.14 3g4t h ASN 137 Ca 0.04 -0.44 0.11 0.00 -0.55 0.00 0.00 56.30 55.46 3g4t h ASN 137 Cb 0.56 -0.04 -0.11 0.00 0.05 0.00 0.00 38.32 38.78 3g4t h ASN 137 CO 0.04 0.54 -0.24 -0.09 -1.65 0.00 0.00 177.43 176.03 3g4t h ARG 138 N -0.28 -0.10 -0.64 0.81 2.43 -0.63 0.23 114.38 116.20 3g4t h ARG 138 Ca 0.01 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3g4t h ARG 138 Cb 0.49 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3g4t h ARG 138 CO 0.01 -0.07 0.25 0.93 -1.51 0.00 0.00 179.97 179.58 3g4t h GLU 139 N -0.11 0.95 -0.37 0.20 4.39 -1.44 -0.62 114.58 117.58 3g4t h GLU 139 Ca 0.24 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 3g4t h GLU 139 Cb 0.49 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3g4t h GLU 139 CO -0.61 0.80 -0.25 -0.09 -1.16 0.00 0.00 179.01 177.71 3g4t h ARG 140 N 0.89 0.83 -0.12 2.33 1.12 -0.68 -2.11 114.38 116.64 3g4t h ARG 140 Ca 0.21 -0.39 -0.01 0.00 -1.11 0.00 0.00 59.98 58.68 3g4t h ARG 140 Cb 0.21 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 3g4t h ARG 140 CO -0.02 1.03 0.01 -0.44 -3.11 0.00 0.00 179.97 177.44 3g4t h ASP 141 N 0.63 0.15 0.82 -3.80 3.32 -0.38 -1.16 116.42 115.99 3g4t h ASP 141 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3g4t h ASP 141 Cb 0.81 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3g4t h ASP 141 CO 0.07 0.18 0.00 -1.54 -1.72 0.00 0.00 179.24 176.23 3g4t n SER 142 N -4.44 0.03 0.00 6.45 3.41 -0.26 -4.87 113.62 113.95 3g4t n SER 142 Ca -0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3g4t n SER 142 Cb 0.14 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3g4t n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g4t n GLY 143 N 0.90 1.67 3.77 5.00 0.00 -0.44 -5.09 105.19 111.00 3g4t n GLY 143 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3g4t n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4t s ARG 144 N -0.08 4.46 0.20 1.61 1.81 -0.82 -4.98 118.95 121.15 3g4t s ARG 144 Ca 0.00 2.03 -0.16 0.00 -1.72 0.00 0.00 55.73 55.88 3g4t s ARG 144 Cb 0.00 -3.10 -0.08 0.00 -0.45 0.00 0.00 34.95 31.32 3g4t s ARG 144 CO 0.00 -0.03 0.63 -0.80 -0.68 0.00 0.00 175.30 174.42 3g4t s ASN 145 N -0.68 6.90 -0.02 0.23 0.01 -1.26 -4.13 114.94 115.98 3g4t s ASN 145 Ca 0.47 1.22 0.00 0.00 -0.71 0.00 0.00 52.86 53.84 3g4t s ASN 145 Cb -0.36 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 38.98 3g4t s ASN 145 CO 0.47 0.04 0.01 0.68 -1.51 0.00 0.00 177.10 176.79 3g4t s VAL 146 N -1.56 0.06 -0.15 1.60 -7.23 -1.26 -0.97 120.40 110.89 3g4t s VAL 146 Ca 0.42 0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 60.68 3g4t s VAL 146 Cb -0.15 -0.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 3g4t s VAL 146 CO 0.20 0.10 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.42 3g4t s ILE 147 N 0.89 3.85 -0.23 -0.62 1.01 0.17 -3.05 121.20 123.22 3g4t s ILE 147 Ca -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3g4t s ILE 147 Cb -0.12 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.71 3g4t s ILE 147 CO -0.02 0.50 -0.12 -0.63 0.00 0.00 0.00 174.94 174.67 3g4t s ILE 148 N 0.34 2.41 0.20 2.92 1.09 0.12 0.64 121.20 128.91 3g4t s ILE 148 Ca -0.04 -1.20 0.08 0.00 -1.10 0.00 0.00 60.65 58.38 3g4t s ILE 148 Cb -0.14 -2.23 -0.05 0.00 -1.06 0.00 0.00 42.46 38.98 3g4t s ILE 148 CO 0.03 0.22 -0.15 0.00 -0.10 0.00 0.00 174.94 174.95 3g4t n GLY 150 N -0.33 0.59 3.37 0.00 0.00 -1.14 -0.70 105.19 106.99 3g4t n GLY 150 Ca -0.08 -1.79 -0.45 0.00 0.00 0.00 0.00 46.02 43.70 3g4t n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g4t s ASP 151 N -4.00 6.17 0.41 1.61 -1.08 -0.82 -2.07 116.67 116.89 3g4t s ASP 151 Ca 0.00 -1.41 0.25 0.00 -0.52 0.00 0.00 52.55 50.87 3g4t s ASP 151 Cb 0.00 -2.22 0.61 0.00 -1.46 0.00 0.00 42.92 39.85 3g4t s ASP 151 CO 0.00 -0.78 1.70 -0.26 0.52 0.00 0.00 175.17 176.35 3g4t h PHE 152 N 8.86 0.00 -1.46 -5.34 -1.00 -0.86 -0.12 116.94 117.02 3g4t h PHE 152 Ca -0.29 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.12 3g4t h PHE 152 Cb 1.10 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.56 3g4t h PHE 152 CO 0.70 0.00 -0.38 0.09 -1.61 0.00 0.00 178.31 177.10 3g4t n ASN 153 N -2.91 -5.24 -3.70 2.17 3.02 -1.20 -4.81 115.26 102.60 3g4t n ASN 153 Ca 0.04 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.77 3g4t n ASN 153 Cb 0.47 -4.33 -0.11 0.00 -0.61 0.00 0.00 39.78 35.19 3g4t n ASN 153 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g4t s THR 154 N -2.76 -0.09 0.25 3.41 2.01 -1.26 -4.29 115.64 112.92 3g4t s THR 154 Ca 0.00 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.88 3g4t s THR 154 Cb 0.00 -0.58 -0.09 0.00 0.01 0.00 0.00 72.50 71.85 3g4t s THR 154 CO 0.00 0.05 0.83 0.00 -0.69 0.00 0.00 174.62 174.80 3g4t s ALA 155 N 1.51 3.34 -0.12 7.40 0.00 -0.89 -4.61 121.76 128.39 3g4t s ALA 155 Ca -0.09 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 3g4t s ALA 155 Cb -0.09 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3g4t s ALA 155 CO -0.12 0.26 -0.06 1.25 0.00 0.00 0.00 175.76 177.09 3g4t h HIS 156 N 3.50 0.00 -1.59 0.00 2.76 -1.89 -3.44 115.15 114.49 3g4t h HIS 156 Ca -0.47 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.14 3g4t h HIS 156 Cb 1.19 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.08 3g4t h HIS 156 CO 0.63 0.08 -0.48 1.03 -1.30 0.00 0.00 177.93 177.88 3g4t s ARG 157 N -1.93 2.26 0.51 5.26 1.81 -1.26 -4.83 118.95 120.76 3g4t s ARG 157 Ca -0.09 -1.81 0.18 0.00 -1.72 0.00 0.00 55.73 52.29 3g4t s ARG 157 Cb 0.01 -2.02 1.27 0.00 -0.45 0.00 0.00 34.95 33.75 3g4t s ARG 157 CO 0.15 -0.12 2.09 0.93 -0.68 0.00 0.00 175.30 177.66 3g4t h GLU 158 N 1.39 0.06 0.00 3.54 5.08 -1.94 0.19 114.58 122.89 3g4t h GLU 158 Ca -0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3g4t h GLU 158 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3g4t h GLU 158 CO 0.69 0.04 0.00 1.51 -1.00 0.00 0.00 179.01 180.25 3g4t n ILE 159 N -4.48 0.47 0.41 3.13 3.06 -1.26 -3.54 119.36 117.14 3g4t n ILE 159 Ca 0.02 0.10 0.12 0.00 -2.50 0.00 0.00 62.75 60.50 3g4t n ILE 159 Cb 0.27 -0.73 0.26 0.00 0.54 0.00 0.00 39.64 39.98 3g4t n ILE 159 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3g4t h ASP 160 N 0.00 0.00 -4.54 9.51 3.32 -1.32 -3.37 116.42 120.03 3g4t h ASP 160 Ca 0.00 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.72 3g4t h ASP 160 Cb 0.40 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.75 3g4t h ASP 160 CO 0.00 0.00 -0.74 -1.48 -1.72 0.00 0.00 179.24 175.30 3g4t s LEU 161 N -5.37 2.34 0.12 1.55 2.34 -1.23 -0.99 118.68 117.43 3g4t s LEU 161 Ca 0.08 -0.70 -0.17 0.00 0.06 0.00 0.00 54.13 53.40 3g4t s LEU 161 Cb 0.09 -0.30 -0.03 0.00 -0.56 0.00 0.00 46.19 45.39 3g4t s LEU 161 CO 0.65 -0.21 1.68 0.00 -1.06 0.00 0.00 176.35 177.40 3g4t h ALA 162 N 3.98 0.44 -2.67 1.48 0.00 -1.58 -3.37 119.26 117.54 3g4t h ALA 162 Ca -0.38 -0.12 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 3g4t h ALA 162 Cb 1.19 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.46 3g4t h ALA 162 CO 0.47 0.03 -0.30 0.54 0.00 0.00 0.00 179.25 179.98 3g4t n ARG 163 N -4.72 2.51 0.12 0.00 1.74 -1.26 -4.94 116.66 110.11 3g4t n ARG 163 Ca -0.01 -4.55 -0.02 0.00 -0.77 0.00 0.00 57.85 52.50 3g4t n ARG 163 Cb 0.13 -2.34 0.18 0.00 -1.02 0.00 0.00 32.46 29.41 3g4t n ARG 163 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3g4t h PRO 164 N 5.26 0.12 0.02 5.56 0.13 -1.85 -3.25 132.00 138.00 3g4t h PRO 164 Ca 0.17 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 3g4t h PRO 164 Cb 0.73 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.88 3g4t h PRO 164 CO 0.85 0.65 -0.34 0.87 -0.23 0.00 0.00 178.00 179.80 3g4t h LYS 165 N 0.09 0.19 0.00 0.86 1.57 -1.96 -2.82 116.57 114.50 3g4t h LYS 165 Ca -0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3g4t h LYS 165 Cb 1.02 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3g4t h LYS 165 CO 0.08 1.01 -0.08 1.05 -0.57 0.00 0.00 179.45 180.94 3g4t h GLU 166 N -0.52 0.00 -0.45 3.15 9.09 -2.01 -2.87 114.58 120.98 3g4t h GLU 166 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 3g4t h GLU 166 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 3g4t h GLU 166 CO 0.07 0.08 0.00 0.09 0.05 0.00 0.00 179.01 179.29 3g4t n ASN 167 N -3.60 3.37 0.31 3.06 4.13 -1.22 -4.39 115.26 116.92 3g4t n ASN 167 Ca -0.02 -1.95 0.19 0.00 1.68 0.00 0.00 54.58 54.48 3g4t n ASN 167 Cb 0.19 -0.30 1.04 0.00 -1.54 0.00 0.00 39.78 39.18 3g4t n ASN 167 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3g4t h SER 168 N 3.67 0.00 -0.13 6.41 0.02 -1.26 0.16 113.55 122.42 3g4t h SER 168 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3g4t h SER 168 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3g4t h SER 168 CO 0.00 0.01 0.00 -3.20 -1.14 0.00 0.00 176.83 172.50 3g4t n ASN 169 N -3.39 2.68 -4.73 3.07 5.15 -1.26 -4.36 115.26 112.41 3g4t n ASN 169 Ca -0.03 -1.79 -0.38 0.00 -0.60 0.00 0.00 54.58 51.79 3g4t n ASN 169 Cb 0.11 -0.07 -0.06 0.00 -0.53 0.00 0.00 39.78 39.22 3g4t n ASN 169 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g4t s VAL 170 N -1.39 5.19 0.15 3.44 1.01 0.04 -4.95 120.40 123.90 3g4t s VAL 170 Ca 0.24 0.87 -0.33 0.00 0.00 0.00 0.00 61.98 62.76 3g4t s VAL 170 Cb 0.16 -3.78 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 3g4t s VAL 170 CO 0.23 0.36 1.66 -0.24 0.00 0.00 0.00 175.10 177.10 3g4t n SER 171 N 3.49 3.41 0.00 3.32 2.88 -1.26 -1.81 113.62 123.64 3g4t n SER 171 Ca -0.09 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 3g4t n SER 171 Cb 0.52 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 3g4t n SER 171 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g4t n GLY 172 N 3.68 1.99 0.36 0.46 0.00 -1.26 -4.75 105.19 105.67 3g4t n GLY 172 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3g4t n GLY 172 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g4t n PHE 173 N -0.33 0.00 -1.73 1.61 7.35 -0.75 -2.09 117.46 121.52 3g4t n PHE 173 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 3g4t n PHE 173 Cb 0.00 0.08 0.02 0.00 0.35 0.00 0.00 39.48 39.92 3g4t n PHE 173 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3g4t n LEU 174 N 0.00 4.57 -0.34 -2.13 4.77 -1.13 -4.63 117.00 118.12 3g4t n LEU 174 Ca 0.00 1.10 0.10 0.00 -0.03 0.00 0.00 56.01 57.17 3g4t n LEU 174 Cb 0.58 -1.54 0.29 0.00 -2.33 0.00 0.00 43.42 40.42 3g4t n LEU 174 CO 0.00 -0.48 1.22 1.55 -1.33 0.00 0.00 177.39 178.36 3g4t h PRO 175 N 2.08 0.84 -0.46 3.23 0.13 -1.94 -1.97 132.00 133.91 3g4t h PRO 175 Ca -0.49 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 3g4t h PRO 175 Cb 1.29 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3g4t h PRO 175 CO 0.60 0.56 0.24 0.28 -0.23 0.00 0.00 178.00 179.45 3g4t h VAL 176 N 0.87 1.15 0.04 1.56 2.07 -1.97 -0.78 116.25 119.18 3g4t h VAL 176 Ca 0.51 -0.39 -0.20 0.00 0.82 0.00 0.00 66.70 67.44 3g4t h VAL 176 Cb 0.66 0.54 0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3g4t h VAL 176 CO -0.28 0.17 -0.80 -0.33 0.02 0.00 0.00 177.57 176.34 3g4t h GLU 177 N 0.64 0.48 -0.22 1.57 5.08 -1.75 -2.93 114.58 117.45 3g4t h GLU 177 Ca 0.16 -0.56 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 3g4t h GLU 177 Cb 0.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3g4t h GLU 177 CO -0.03 1.20 -0.27 0.00 -1.00 0.00 0.00 179.01 178.91 3g4t h ARG 178 N 0.00 0.42 -0.86 2.33 3.08 -1.20 -2.56 114.38 115.60 3g4t h ARG 178 Ca -0.11 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.79 3g4t h ARG 178 Cb 1.51 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.49 3g4t h ARG 178 CO 0.16 0.66 0.57 0.00 -1.07 0.00 0.00 179.97 180.29 3g4t h ALA 179 N 1.34 1.10 -0.67 0.04 0.00 -1.18 -1.46 119.26 118.43 3g4t h ALA 179 Ca 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3g4t h ALA 179 Cb 0.68 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3g4t h ALA 179 CO 0.05 0.48 0.15 2.35 0.00 0.00 0.00 179.25 182.28 3g4t h TRP 180 N 1.15 1.14 -0.22 0.00 7.01 -1.26 0.32 115.95 124.09 3g4t h TRP 180 Ca 0.32 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 3g4t h TRP 180 Cb -0.11 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.62 3g4t h TRP 180 CO -0.01 0.95 0.13 0.82 -2.79 0.00 0.00 178.44 177.54 3g4t h ILE 181 N 1.01 1.08 -0.49 2.65 2.04 -1.29 0.47 117.51 122.99 3g4t h ILE 181 Ca 0.21 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.93 3g4t h ILE 181 Cb 0.39 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.20 3g4t h ILE 181 CO 0.01 0.08 -0.55 0.44 0.00 0.00 0.00 178.15 178.13 3g4t h ASP 182 N 0.27 -1.86 -0.47 1.72 3.32 -0.83 0.16 116.42 118.73 3g4t h ASP 182 Ca 0.08 0.25 0.07 0.00 0.02 0.00 0.00 57.03 57.45 3g4t h ASP 182 Cb 0.02 0.78 -0.06 0.00 0.22 0.00 0.00 39.33 40.28 3g4t h ASP 182 CO -0.02 -0.38 0.14 0.50 -1.72 0.00 0.00 179.24 177.76 3g4t h LYS 183 N -0.34 0.28 -0.23 3.56 3.64 -0.59 -0.74 116.57 122.15 3g4t h LYS 183 Ca 0.09 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3g4t h LYS 183 Cb 0.57 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 3g4t h LYS 183 CO -0.64 0.19 -0.32 0.35 -2.27 0.00 0.00 179.45 176.76 3g4t h PHE 184 N 0.29 -0.88 -0.72 1.91 3.57 0.98 -1.66 116.94 120.44 3g4t h PHE 184 Ca 0.23 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3g4t h PHE 184 Cb 0.26 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 3g4t h PHE 184 CO -0.18 -0.39 0.46 0.82 -2.23 0.00 0.00 178.31 176.79 3g4t h ILE 185 N -0.34 1.14 -0.17 1.41 2.04 -0.11 -2.05 117.51 119.43 3g4t h ILE 185 Ca 0.12 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3g4t h ILE 185 Cb 0.54 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3g4t h ILE 185 CO -0.42 0.17 0.15 -0.33 0.00 0.00 0.00 178.15 177.72 3g4t h GLU 186 N 0.93 0.00 0.00 2.37 5.08 -0.51 0.57 114.58 123.02 3g4t h GLU 186 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3g4t h GLU 186 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3g4t h GLU 186 CO -0.08 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.02 3g4t n ASN 187 N -4.20 0.00 0.00 1.42 5.03 -0.69 -4.84 115.26 111.99 3g4t n ASN 187 Ca 0.01 -1.28 0.00 0.00 0.87 0.00 0.00 54.58 54.18 3g4t n ASN 187 Cb 0.27 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 3g4t n ASN 187 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g4t n GLY 188 N 0.40 0.86 3.11 7.41 0.00 0.14 -5.03 105.19 112.08 3g4t n GLY 188 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3g4t n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g4t s TYR 189 N -1.69 0.85 -0.02 1.61 1.51 -0.87 -1.50 117.35 117.24 3g4t s TYR 189 Ca 0.00 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.55 3g4t s TYR 189 Cb 0.00 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.35 3g4t s TYR 189 CO 0.00 -0.05 -0.16 0.08 -1.11 0.00 0.00 175.55 174.31 3g4t s VAL 190 N -1.72 1.31 -1.11 0.71 1.01 0.76 -4.49 120.40 116.87 3g4t s VAL 190 Ca -0.04 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 3g4t s VAL 190 Cb -0.08 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.28 3g4t s VAL 190 CO 0.00 0.38 1.50 -0.62 0.00 0.00 0.00 175.10 176.35 3g4t s ASP 191 N -0.20 6.68 0.50 3.32 -1.08 -1.26 -2.27 116.67 122.35 3g4t s ASP 191 Ca 0.02 -1.99 0.34 0.00 -0.52 0.00 0.00 52.55 50.40 3g4t s ASP 191 Cb -0.08 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.31 3g4t s ASP 191 CO 0.00 -1.27 1.73 0.71 0.52 0.00 0.00 175.17 176.86 3g4t h THR 192 N 6.08 0.31 -0.69 1.71 1.35 -1.55 0.42 112.91 120.55 3g4t h THR 192 Ca 0.28 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 66.07 3g4t h THR 192 Cb 0.96 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 3g4t h THR 192 CO 1.38 0.02 0.29 0.15 -0.25 0.00 0.00 175.52 177.11 3g4t h PHE 193 N 0.10 1.02 0.00 4.73 3.57 -1.81 -2.87 116.94 121.69 3g4t h PHE 193 Ca 0.68 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 62.11 3g4t h PHE 193 Cb 2.41 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.84 3g4t h PHE 193 CO -0.00 0.79 0.00 0.00 -2.23 0.00 0.00 178.31 176.86 3g4t h ARG 194 N 0.97 0.00 -0.55 1.11 2.47 -0.34 -1.43 114.38 116.60 3g4t h ARG 194 Ca 0.23 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.97 3g4t h ARG 194 Cb 0.18 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 3g4t h ARG 194 CO -0.02 0.00 0.37 0.52 0.56 0.00 0.00 179.97 181.39 3g4t h MET 195 N 0.00 0.69 0.00 0.04 2.86 -1.49 -3.32 114.93 113.71 3g4t h MET 195 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3g4t h MET 195 Cb 0.46 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3g4t h MET 195 CO 0.00 0.46 -0.88 1.19 1.06 0.00 0.00 176.91 178.73 3g4t n PHE 196 N -4.46 0.00 -3.67 -0.22 3.72 -0.76 -5.00 117.46 107.07 3g4t n PHE 196 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.34 3g4t n PHE 196 Cb 0.08 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.40 3g4t n PHE 196 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g4t s ASN 197 N -2.41 0.07 0.00 4.37 3.84 -0.61 -5.01 114.94 115.19 3g4t s ASN 197 Ca 0.00 0.73 0.04 0.00 0.21 0.00 0.00 52.86 53.84 3g4t s ASN 197 Cb 0.06 0.88 0.10 0.00 -0.55 0.00 0.00 41.25 41.75 3g4t s ASN 197 CO 0.37 -0.23 1.03 -1.54 -2.79 0.00 0.00 177.10 173.94 3g4t n SER 198 N 5.21 2.21 -4.75 -4.21 3.41 -1.26 -4.28 113.62 109.94 3g4t n SER 198 Ca -0.09 -1.88 -0.37 0.00 -0.26 0.00 0.00 58.87 56.27 3g4t n SER 198 Cb 0.50 -0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.41 3g4t n SER 198 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3g4t s ASP 199 N -0.91 5.30 1.01 4.04 -0.00 -1.26 -5.06 116.67 119.79 3g4t s ASP 199 Ca 0.08 2.50 -0.13 0.00 -0.00 0.00 0.00 52.55 55.00 3g4t s ASP 199 Cb 0.04 -2.61 0.18 0.00 -0.00 0.00 0.00 42.92 40.54 3g4t s ASP 199 CO 0.06 -1.53 1.04 -0.81 -0.00 0.00 0.00 175.17 173.93 3g4t n PRO 200 N -1.31 -1.15 -1.76 8.23 -0.04 -1.26 -4.46 135.00 133.25 3g4t n PRO 200 Ca 0.12 -1.60 -0.20 0.00 -0.04 0.00 0.00 63.50 61.78 3g4t n PRO 200 Cb 0.48 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 3g4t n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g4t n GLY 201 N -1.96 1.34 3.30 0.55 0.00 -1.26 -4.95 105.19 102.21 3g4t n GLY 201 Ca 0.13 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3g4t n GLY 201 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g4t s GLN 202 N -3.98 2.77 0.28 1.61 -1.52 -1.26 -5.06 119.66 112.50 3g4t s GLN 202 Ca 0.00 -1.54 0.09 0.00 -1.95 0.00 0.00 55.36 51.96 3g4t s GLN 202 Cb 0.00 -4.03 -0.06 0.00 -0.22 0.00 0.00 33.01 28.71 3g4t s GLN 202 CO 0.00 -1.11 -0.13 0.71 -0.25 0.00 0.00 175.29 174.52 3g4t s TYR 203 N 1.51 2.11 0.00 0.91 4.12 -1.26 -4.49 117.35 120.26 3g4t s TYR 203 Ca 0.04 -0.52 0.00 0.00 0.02 0.00 0.00 57.07 56.61 3g4t s TYR 203 Cb -0.26 -1.08 0.00 0.00 -1.52 0.00 0.00 41.96 39.10 3g4t s TYR 203 CO 0.03 0.50 0.00 0.25 0.02 0.00 0.00 175.55 176.35 3g4t n THR 204 N -0.61 0.00 -4.46 -0.71 -2.24 0.15 -4.89 114.28 101.53 3g4t n THR 204 Ca -0.06 -0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 3g4t n THR 204 Cb 0.62 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 69.23 3g4t n THR 204 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3g4t s TRP 205 N -1.51 0.95 -0.02 4.78 -0.00 -0.40 -0.44 118.94 122.31 3g4t s TRP 205 Ca 0.00 -0.18 0.01 0.00 -0.00 0.00 0.00 56.10 55.93 3g4t s TRP 205 Cb 0.00 -0.61 0.01 0.00 -0.00 0.00 0.00 33.47 32.87 3g4t s TRP 205 CO 0.00 -0.02 -0.02 -1.58 -0.00 0.00 0.00 176.95 175.33 3g4t s TRP 206 N -0.25 0.37 0.37 5.86 0.51 -0.83 -1.12 118.94 123.84 3g4t s TRP 206 Ca 0.04 -0.05 -0.27 0.00 -2.12 0.00 0.00 56.10 53.70 3g4t s TRP 206 Cb -0.04 -0.35 -0.12 0.00 -0.81 0.00 0.00 33.47 32.15 3g4t s TRP 206 CO -0.00 -0.08 1.27 0.45 -0.51 0.00 0.00 176.95 178.07 3g4t n SER 207 N 3.65 2.62 -0.05 2.95 2.88 -1.26 -4.79 113.62 119.61 3g4t n SER 207 Ca -0.21 1.17 -0.15 0.00 -1.33 0.00 0.00 58.87 58.35 3g4t n SER 207 Cb 0.54 -1.48 -0.06 0.00 -0.75 0.00 0.00 64.21 62.45 3g4t n SER 207 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3g4t h TYR 208 N 2.37 0.87 -0.89 0.66 0.99 -1.99 -3.19 116.97 115.80 3g4t h TYR 208 Ca -0.46 -0.34 0.17 0.00 2.00 0.00 0.00 58.73 60.10 3g4t h TYR 208 Cb 1.29 -0.15 -0.10 0.00 1.00 0.00 0.00 36.73 38.76 3g4t h TYR 208 CO 0.50 1.12 0.47 0.00 -0.00 0.00 0.00 178.16 180.25 3g4t h ARG 209 N 0.37 0.60 -0.01 4.88 3.08 -2.05 -2.01 114.38 119.24 3g4t h ARG 209 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3g4t h ARG 209 Cb 1.12 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3g4t h ARG 209 CO 0.11 0.39 -0.38 0.25 -1.07 0.00 0.00 179.97 179.27 3g4t n THR 210 N -4.88 0.00 -3.83 2.04 -2.24 -1.26 -4.90 114.28 99.20 3g4t n THR 210 Ca 0.19 -0.08 -0.28 0.00 -2.27 0.00 0.00 64.05 61.60 3g4t n THR 210 Cb 0.50 0.41 0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3g4t n THR 210 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g4t n ARG 211 N -0.95 -6.05 0.29 -0.78 3.00 -0.76 -4.89 116.66 106.53 3g4t n ARG 211 Ca 0.09 0.65 0.15 0.00 -0.01 0.00 0.00 57.85 58.74 3g4t n ARG 211 Cb 0.35 -5.56 0.90 0.00 0.00 0.00 0.00 32.46 28.14 3g4t n ARG 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3g4t h ALA 212 N 0.97 1.38 -0.49 7.54 0.00 -1.80 -3.20 119.26 123.66 3g4t h ALA 212 Ca -0.58 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 3g4t h ALA 212 Cb 1.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3g4t h ALA 212 CO 0.64 0.04 -0.07 -0.09 0.00 0.00 0.00 179.25 179.78 3g4t h ARG 213 N 0.00 0.88 -0.02 0.00 2.43 -1.88 0.35 114.38 116.13 3g4t h ARG 213 Ca -0.00 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 3g4t h ARG 213 Cb 0.11 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3g4t h ARG 213 CO 0.00 0.92 -0.68 1.05 -1.51 0.00 0.00 179.97 179.75 3g4t h GLU 214 N 0.80 0.10 0.00 0.20 4.11 -1.96 -2.43 114.58 115.39 3g4t h GLU 214 Ca 0.14 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3g4t h GLU 214 Cb 0.57 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3g4t h GLU 214 CO 0.03 0.74 0.00 0.54 0.07 0.00 0.00 179.01 180.39 3g4t n ARG 215 N -3.77 0.09 -2.76 1.06 1.74 -0.92 -4.94 116.66 107.16 3g4t n ARG 215 Ca -0.02 0.14 -0.20 0.00 -0.77 0.00 0.00 57.85 57.00 3g4t n ARG 215 Cb 0.67 -1.62 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 3g4t n ARG 215 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3g4t n ASN 216 N -1.77 -5.70 -4.24 0.55 5.15 0.11 -4.95 115.26 104.41 3g4t n ASN 216 Ca 0.06 -0.18 -0.44 0.00 -0.60 0.00 0.00 54.58 53.42 3g4t n ASN 216 Cb 0.32 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 3g4t n ASN 216 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3g4t n VAL 217 N -4.29 4.39 -4.00 3.44 0.31 -0.52 -4.89 118.33 112.77 3g4t n VAL 217 Ca -0.15 -4.78 -0.11 0.00 -0.01 0.00 0.00 64.34 59.30 3g4t n VAL 217 Cb 0.63 -2.42 -0.01 0.00 -0.91 0.00 0.00 33.84 31.13 3g4t n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g4t n GLY 218 N 3.36 3.53 3.18 2.92 0.00 -1.26 -4.59 105.19 112.35 3g4t n GLY 218 Ca 0.36 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 3g4t n GLY 218 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g4t s TRP 219 N -1.37 1.01 -0.40 1.61 0.52 -0.27 -1.53 118.94 118.51 3g4t s TRP 219 Ca 0.05 -0.78 -0.11 0.00 0.02 0.00 0.00 56.10 55.27 3g4t s TRP 219 Cb -0.00 -0.56 0.04 0.00 -1.15 0.00 0.00 33.47 31.80 3g4t s TRP 219 CO 0.03 -0.05 0.25 0.50 0.02 0.00 0.00 176.95 177.70 3g4t s ARG 220 N -3.40 2.80 -0.00 4.98 3.52 -0.16 0.32 118.95 127.00 3g4t s ARG 220 Ca 0.10 -1.19 0.04 0.00 -0.13 0.00 0.00 55.73 54.55 3g4t s ARG 220 Cb 0.02 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 3g4t s ARG 220 CO -0.02 -0.80 0.17 1.28 -0.81 0.00 0.00 175.30 175.12 3g4t n LEU 221 N 5.02 0.18 -4.32 -0.88 4.77 -1.26 -3.68 117.00 116.82 3g4t n LEU 221 Ca -0.11 -0.47 -0.33 0.00 -0.03 0.00 0.00 56.01 55.07 3g4t n LEU 221 Cb 0.45 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 3g4t n LEU 221 CO 0.39 0.05 -0.47 -1.81 -1.33 0.00 0.00 177.39 174.22 3g4t s ASP 222 N -1.45 3.82 0.04 -1.43 1.01 -1.26 -0.18 116.67 117.23 3g4t s ASP 222 Ca 0.01 -0.39 0.01 0.00 0.71 0.00 0.00 52.55 52.89 3g4t s ASP 222 Cb 0.03 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 3g4t s ASP 222 CO 0.17 0.14 -0.06 -0.31 0.21 0.00 0.00 175.17 175.32 3g4t s TYR 223 N 0.52 0.59 -0.26 4.23 1.51 -0.88 -4.97 117.35 118.09 3g4t s TYR 223 Ca -0.10 -0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 55.30 3g4t s TYR 223 Cb -0.16 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 3g4t s TYR 223 CO 0.04 -0.14 0.06 -0.06 -1.11 0.00 0.00 175.55 174.35 3g4t s PHE 224 N -1.82 3.08 0.02 2.71 0.40 -1.26 -2.89 117.98 118.23 3g4t s PHE 224 Ca -0.08 -0.58 0.04 0.00 -0.60 0.00 0.00 56.93 55.71 3g4t s PHE 224 Cb -0.07 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 3g4t s PHE 224 CO -0.01 -0.42 -0.08 -0.06 0.70 0.00 0.00 175.22 175.35 3g4t s PHE 225 N 1.58 2.85 0.16 0.36 0.40 0.53 -1.25 117.98 122.61 3g4t s PHE 225 Ca 0.06 -0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 3g4t s PHE 225 Cb -0.15 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 3g4t s PHE 225 CO 0.03 0.37 -0.16 0.14 0.70 0.00 0.00 175.22 176.30 3g4t s VAL 226 N -1.02 1.65 0.53 -0.44 -7.23 -0.96 0.12 120.40 113.05 3g4t s VAL 226 Ca 0.18 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.23 3g4t s VAL 226 Cb -0.11 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 3g4t s VAL 226 CO 0.08 -0.40 1.23 0.54 -0.31 0.00 0.00 175.10 176.24 3g4t s ASN 227 N -2.72 5.58 0.35 4.85 6.03 -1.17 -0.17 114.94 127.69 3g4t s ASN 227 Ca 0.15 2.45 0.04 0.00 -1.03 0.00 0.00 52.86 54.46 3g4t s ASN 227 Cb -0.04 -2.61 0.64 0.00 -3.03 0.00 0.00 41.25 36.21 3g4t s ASN 227 CO 0.05 -1.33 1.94 1.05 -2.03 0.00 0.00 177.10 176.78 3g4t h GLU 228 N 1.46 0.64 -0.35 3.55 4.11 -1.61 -1.83 114.58 120.56 3g4t h GLU 228 Ca -0.50 -0.09 0.10 0.00 0.07 0.00 0.00 59.36 58.94 3g4t h GLU 228 Cb 1.28 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3g4t h GLU 228 CO 0.57 0.53 0.36 0.93 0.07 0.00 0.00 179.01 181.47 3g4t h GLU 229 N 0.64 0.00 0.00 1.06 3.07 -1.92 0.79 114.58 118.22 3g4t h GLU 229 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3g4t h GLU 229 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3g4t h GLU 229 CO -0.02 0.00 -1.06 0.34 -1.40 0.00 0.00 179.01 176.87 3g4t n PHE 230 N -3.82 0.04 -0.38 4.33 7.35 -0.70 -4.38 117.46 119.89 3g4t n PHE 230 Ca 0.06 0.01 0.30 0.00 -0.76 0.00 0.00 57.45 57.06 3g4t n PHE 230 Cb 0.52 -0.17 0.58 0.00 0.35 0.00 0.00 39.48 40.76 3g4t n PHE 230 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3g4t h LYS 231 N 0.00 0.21 -0.97 -4.13 3.64 -0.67 0.20 116.57 114.86 3g4t h LYS 231 Ca 0.00 -0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.58 3g4t h LYS 231 Cb 0.60 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 3g4t h LYS 231 CO 0.00 0.14 0.62 0.78 -2.27 0.00 0.00 179.45 178.72 3g4t h GLY 232 N 0.22 1.25 2.00 5.01 0.00 -1.76 -2.57 103.07 107.21 3g4t h GLY 232 Ca 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3g4t h GLY 232 CO -0.41 -0.04 0.00 0.50 0.00 0.00 0.00 176.54 176.59 3g4t h LYS 233 N 0.54 0.00 -6.37 4.80 1.79 -0.93 -3.44 116.57 112.95 3g4t h LYS 233 Ca 0.53 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.42 3g4t h LYS 233 Cb 1.13 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.69 3g4t h LYS 233 CO -0.27 0.00 0.74 0.54 -1.08 0.00 0.00 179.45 179.39 3g4t s VAL 234 N -3.18 4.32 -0.17 0.50 0.11 -0.97 -4.41 120.40 116.60 3g4t s VAL 234 Ca 0.09 0.89 0.19 0.00 -2.93 0.00 0.00 61.98 60.21 3g4t s VAL 234 Cb 0.10 -4.54 -0.08 0.00 -1.53 0.00 0.00 36.38 30.33 3g4t s VAL 234 CO 0.60 -0.98 0.92 0.11 -3.33 0.00 0.00 175.10 172.43 3g4t h LYS 235 N 9.20 0.00 -2.42 1.54 6.56 -1.44 -3.48 116.57 126.54 3g4t h LYS 235 Ca -0.24 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.27 3g4t h LYS 235 Cb 1.07 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.53 3g4t h LYS 235 CO 1.08 0.18 -0.01 0.50 -2.06 0.00 0.00 179.45 179.14 3g4t s ARG 236 N -3.10 0.86 -0.29 3.15 3.52 -1.02 -4.98 118.95 117.11 3g4t s ARG 236 Ca -0.02 0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 3g4t s ARG 236 Cb 0.09 0.40 0.16 0.00 -1.56 0.00 0.00 34.95 34.04 3g4t s ARG 236 CO 0.80 -0.24 0.41 0.45 -0.81 0.00 0.00 175.30 175.91 3g4t s SER 237 N -1.02 0.35 0.32 -2.12 0.15 -1.26 -1.42 113.70 108.69 3g4t s SER 237 Ca -0.10 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3g4t s SER 237 Cb -0.02 1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 65.36 3g4t s SER 237 CO 0.07 -0.35 0.09 -1.66 1.20 0.00 0.00 173.24 172.58 3g4t s TRP 238 N 2.55 1.80 -0.25 3.44 -2.14 -0.62 -4.58 118.94 119.14 3g4t s TRP 238 Ca 0.10 -1.09 -0.05 0.00 2.66 0.00 0.00 56.10 57.72 3g4t s TRP 238 Cb -0.13 -1.13 -0.00 0.00 -3.10 0.00 0.00 33.47 29.11 3g4t s TRP 238 CO -0.29 -0.16 0.01 0.42 -2.66 0.00 0.00 176.95 174.26 3g4t s ILE 239 N -3.43 3.62 -1.48 0.66 1.01 -1.26 -0.50 121.20 119.81 3g4t s ILE 239 Ca 0.35 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 3g4t s ILE 239 Cb 0.07 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.81 3g4t s ILE 239 CO 0.15 0.28 2.38 0.18 0.00 0.00 0.00 174.94 177.93 3g4t n LEU 240 N 4.82 7.23 0.23 2.97 4.32 -0.35 -4.74 117.00 131.47 3g4t n LEU 240 Ca -0.17 -4.17 0.16 0.00 -0.02 0.00 0.00 56.01 51.81 3g4t n LEU 240 Cb 0.50 -1.63 0.79 0.00 -1.62 0.00 0.00 43.42 41.45 3g4t n LEU 240 CO 0.30 1.29 0.97 0.28 -1.22 0.00 0.00 177.39 179.00 3g4t h SER 241 N 5.82 0.00 0.42 -1.43 0.02 -1.93 -2.88 113.55 113.57 3g4t h SER 241 Ca 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.57 3g4t h SER 241 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3g4t h SER 241 CO 1.87 0.00 -0.07 -0.78 -1.14 0.00 0.00 176.83 176.71 3g4t h ASP 242 N 0.00 0.00 -3.43 3.07 3.58 -1.95 -3.44 116.42 114.25 3g4t h ASP 242 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 3g4t h ASP 242 Cb 0.11 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.04 3g4t h ASP 242 CO 0.00 0.07 -0.43 -0.69 -2.88 0.00 0.00 179.24 175.31 3g4t s VAL 243 N -4.08 5.35 0.49 2.25 1.01 -1.08 -5.08 120.40 119.25 3g4t s VAL 243 Ca -0.02 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.34 3g4t s VAL 243 Cb 0.12 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 33.00 3g4t s VAL 243 CO 0.54 0.37 0.59 -0.04 0.00 0.00 0.00 175.10 176.55 3g4t s MET 244 N 0.78 2.52 0.00 2.72 -1.94 -1.26 -4.76 119.30 117.37 3g4t s MET 244 Ca 0.10 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.55 3g4t s MET 244 Cb -0.13 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.15 3g4t s MET 244 CO 0.03 -0.50 0.00 0.41 -0.01 0.00 0.00 175.02 174.95 3g4t n GLY 245 N -1.91 1.20 3.42 -0.03 0.00 -1.26 -5.04 105.19 101.58 3g4t n GLY 245 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3g4t n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g4t s SER 246 N -1.14 -0.10 0.37 1.61 0.15 -1.26 -4.60 113.70 108.73 3g4t s SER 246 Ca 0.00 -0.68 0.27 0.00 0.70 0.00 0.00 55.95 56.24 3g4t s SER 246 Cb 0.00 0.50 0.87 0.00 -1.71 0.00 0.00 66.02 65.68 3g4t s SER 246 CO 0.00 -0.97 1.77 -2.24 1.20 0.00 0.00 173.24 173.00 3g4t h ASP 247 N 2.38 0.00 -2.46 5.45 2.03 -1.87 -3.43 116.42 118.53 3g4t h ASP 247 Ca -0.30 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.48 3g4t h ASP 247 Cb 1.24 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.72 3g4t h ASP 247 CO 0.43 0.00 -0.46 -1.00 -1.03 0.00 0.00 179.24 177.18 3g4t s HIS 248 N -3.33 3.47 0.28 4.15 3.76 -1.26 -1.97 115.29 120.39 3g4t s HIS 248 Ca 0.06 0.08 0.07 0.00 -0.15 0.00 0.00 55.06 55.12 3g4t s HIS 248 Cb 0.09 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 3g4t s HIS 248 CO 0.56 0.50 0.23 0.00 -0.85 0.00 0.00 174.74 175.17 3g4t s PRO 250 N -3.89 3.54 0.23 0.00 0.04 -1.26 -4.61 135.00 129.06 3g4t s PRO 250 Ca 0.35 1.19 0.10 0.00 0.04 0.00 0.00 61.00 62.68 3g4t s PRO 250 Cb -0.07 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3g4t s PRO 250 CO 0.25 -0.62 -0.10 0.96 0.04 0.00 0.00 177.00 177.53 3g4t s ILE 251 N -2.38 3.04 0.08 0.56 -4.36 0.88 -1.21 121.20 117.80 3g4t s ILE 251 Ca 0.63 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 3g4t s ILE 251 Cb -0.15 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 3g4t s ILE 251 CO 0.32 -0.26 -0.18 -0.83 0.24 0.00 0.00 174.94 174.22 3g4t s GLY 252 N -3.25 1.07 -0.01 6.27 0.00 0.34 -0.57 107.32 111.17 3g4t s GLY 252 Ca 0.28 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3g4t s GLY 252 CO 0.16 -1.09 0.02 -2.27 0.00 0.00 0.00 173.10 169.91 3g4t s LEU 253 N -1.65 1.38 -0.13 0.66 2.96 0.78 -1.58 118.68 121.09 3g4t s LEU 253 Ca 0.04 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3g4t s LEU 253 Cb -0.10 -0.07 0.01 0.00 0.50 0.00 0.00 46.19 46.53 3g4t s LEU 253 CO 0.03 -0.08 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.14 3g4t s GLU 254 N 0.72 3.00 0.00 1.98 2.02 -0.51 -0.39 118.70 125.52 3g4t s GLU 254 Ca -0.06 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3g4t s GLU 254 Cb -0.09 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3g4t s GLU 254 CO -0.02 0.04 0.45 0.44 0.02 0.00 0.00 175.26 176.19