#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4t s LEU 4 N 0.00 3.98 -0.26 7.52 2.96 -0.54 -4.91 118.68 127.43 3g4t s LEU 4 Ca 0.00 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 3g4t s LEU 4 Cb 0.00 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3g4t s LEU 4 CO 0.00 0.12 0.09 -0.75 -1.32 0.00 0.00 176.35 174.49 3g4t s LYS 5 N 0.70 3.65 -0.10 1.98 2.20 -1.26 -1.38 119.74 125.54 3g4t s LYS 5 Ca 0.06 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3g4t s LYS 5 Cb -0.13 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3g4t s LYS 5 CO 0.01 -0.21 -0.14 0.42 -0.36 0.00 0.00 175.35 175.07 3g4t s ILE 6 N 1.63 3.00 -0.04 5.43 1.01 -0.19 0.24 121.20 132.28 3g4t s ILE 6 Ca 0.06 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.08 3g4t s ILE 6 Cb -0.15 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3g4t s ILE 6 CO 0.05 0.55 -0.26 -0.63 0.00 0.00 0.00 174.94 174.65 3g4t s ILE 7 N -0.05 2.05 -0.06 2.92 -1.09 -0.75 -0.88 121.20 123.35 3g4t s ILE 7 Ca -0.03 -1.09 0.05 0.00 -2.23 0.00 0.00 60.65 57.35 3g4t s ILE 7 Cb -0.14 -1.71 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 3g4t s ILE 7 CO 0.04 0.57 -0.20 -0.55 -1.23 0.00 0.00 174.94 173.57 3g4t s SER 8 N -0.40 3.50 -0.19 3.58 0.15 -0.19 0.44 113.70 120.59 3g4t s SER 8 Ca 0.04 -0.39 -0.08 0.00 0.70 0.00 0.00 55.95 56.22 3g4t s SER 8 Cb -0.12 -0.92 0.08 0.00 -1.71 0.00 0.00 66.02 63.35 3g4t s SER 8 CO 0.01 0.27 0.43 0.86 1.20 0.00 0.00 173.24 176.01 3g4t s TRP 9 N -0.29 -0.74 -0.43 3.44 -0.00 -0.22 -0.41 118.94 120.28 3g4t s TRP 9 Ca 0.01 1.47 -0.23 0.00 -0.00 0.00 0.00 56.10 57.35 3g4t s TRP 9 Cb -0.13 0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.68 3g4t s TRP 9 CO 0.03 -0.43 0.78 1.21 -0.00 0.00 0.00 176.95 178.54 3g4t s ASN 10 N 2.07 6.44 0.01 5.86 3.84 -1.26 -0.92 114.94 130.97 3g4t s ASN 10 Ca -0.05 -0.02 0.22 0.00 0.21 0.00 0.00 52.86 53.21 3g4t s ASN 10 Cb -0.10 -2.39 -0.15 0.00 -0.55 0.00 0.00 41.25 38.06 3g4t s ASN 10 CO -0.13 -0.88 0.85 0.55 -2.79 0.00 0.00 177.10 174.70 3g4t n VAL 11 N 6.07 0.05 -3.46 -5.21 3.14 0.09 -4.15 118.33 114.86 3g4t n VAL 11 Ca 0.02 -0.19 -0.19 0.00 -2.96 0.00 0.00 64.34 61.03 3g4t n VAL 11 Cb 0.48 0.51 0.07 0.00 -1.06 0.00 0.00 33.84 33.84 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 -1.81 -3.58 -0.24 6.55 5.15 -1.21 -4.61 115.26 115.50 3g4t n ASN 12 Ca 0.02 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.27 3g4t n ASN 12 Cb 0.42 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 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 -1.31 -0.14 0.34 8.20 0.00 0.11 -4.77 105.19 107.62 3g4t n GLY 13 Ca -0.21 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 1.10 -0.96 0.99 5.85 -1.03 -1.91 115.31 119.35 3g4t h LEU 14 Ca 0.00 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3g4t h LEU 14 Cb 0.00 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3g4t h LEU 14 CO 0.00 0.96 0.25 0.03 -0.34 0.00 0.00 178.44 179.33 3g4t h ARG 15 N 1.18 1.00 0.19 1.25 3.08 -1.92 -1.46 114.38 117.69 3g4t h ARG 15 Ca 0.28 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3g4t h ARG 15 Cb 0.17 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3g4t h ARG 15 CO -0.03 0.83 -0.11 0.00 -1.07 0.00 0.00 179.97 179.59 3g4t h ALA 16 N 1.29 -0.27 -0.46 0.04 0.00 -1.73 -2.41 119.26 115.72 3g4t h ALA 16 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3g4t h ALA 16 Cb 0.22 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g4t h ALA 16 CO -0.02 -0.66 0.00 -0.39 0.00 0.00 0.00 179.25 178.19 3g4t h VAL 17 N -0.28 1.24 -0.44 0.00 -1.51 -1.16 -2.44 116.25 111.66 3g4t h VAL 17 Ca -0.02 -0.96 0.09 0.00 -1.23 0.00 0.00 66.70 64.58 3g4t h VAL 17 Cb 0.23 0.88 -0.09 0.00 -2.13 0.00 0.00 31.29 30.18 3g4t h VAL 17 CO 0.03 0.34 -0.20 -0.74 -1.23 0.00 0.00 177.57 175.77 3g4t h HIS 18 N 0.70 -0.50 0.00 5.19 6.17 -1.21 0.11 115.15 125.61 3g4t h HIS 18 Ca 0.14 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.27 3g4t h HIS 18 Cb 0.43 0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.64 3g4t h HIS 18 CO 0.02 -0.28 0.00 0.00 0.71 0.00 0.00 177.93 178.38 3g4t h ARG 19 N -0.11 0.00 -0.46 5.26 3.08 -0.94 -1.44 114.38 119.77 3g4t h ARG 19 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3g4t h ARG 19 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3g4t h ARG 19 CO -0.51 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.02 3g4t n LYS 20 N -2.55 4.07 -2.17 0.04 5.02 0.28 -4.97 118.16 117.89 3g4t n LYS 20 Ca -0.02 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.26 3g4t n LYS 20 Cb 0.07 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 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 0.24 0.62 0.17 0.72 0.00 -0.54 -4.98 105.19 101.42 3g4t n GLY 21 Ca 0.25 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 0.05 -0.80 1.61 3.57 -1.41 -2.30 116.94 117.66 3g4t h PHE 22 Ca 0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3g4t h PHE 22 Cb 0.99 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 3g4t h PHE 22 CO 0.00 -0.04 0.52 -0.07 -2.23 0.00 0.00 178.31 176.49 3g4t h LEU 23 N 0.15 0.81 0.19 0.59 3.38 -1.86 0.14 115.31 118.71 3g4t h LEU 23 Ca 0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3g4t h LEU 23 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3g4t h LEU 23 CO -0.30 0.54 -0.09 0.50 0.09 0.00 0.00 178.44 179.17 3g4t h LYS 24 N 0.93 -0.25 -0.71 1.13 3.64 -1.83 0.32 116.57 119.80 3g4t h LYS 24 Ca 0.33 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.83 3g4t h LYS 24 Cb 0.14 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 3g4t h LYS 24 CO -0.11 -0.06 0.34 2.35 -2.27 0.00 0.00 179.45 179.70 3g4t h TRP 25 N -0.39 0.61 -0.13 1.91 7.01 -1.05 -0.73 115.95 123.19 3g4t h TRP 25 Ca -0.03 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 3g4t h TRP 25 Cb 0.30 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3g4t h TRP 25 CO -0.03 0.21 -0.13 0.35 -2.79 0.00 0.00 178.44 176.05 3g4t h PHE 26 N 0.58 0.21 -0.04 2.65 -0.00 -0.53 0.11 116.94 119.91 3g4t h PHE 26 Ca 0.35 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 58.29 3g4t h PHE 26 Cb 0.39 -0.06 -0.00 0.00 -0.00 0.00 0.00 35.95 36.28 3g4t h PHE 26 CO -0.11 0.33 -0.01 0.00 -0.00 0.00 0.00 178.31 178.52 3g4t h MET 27 N 0.19 0.07 0.56 1.11 -0.00 0.72 -3.37 114.93 114.21 3g4t h MET 27 Ca 0.04 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 59.69 3g4t h MET 27 Cb 0.35 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.96 3g4t h MET 27 CO 0.02 0.42 -0.27 0.93 -0.00 0.00 0.00 176.91 178.01 3g4t h GLU 28 N -0.28 -0.72 -6.28 -0.10 5.08 -0.73 -3.38 114.58 108.17 3g4t h GLU 28 Ca 0.01 0.05 -0.55 0.00 -1.00 0.00 0.00 59.36 57.87 3g4t h GLU 28 Cb 0.39 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3g4t h GLU 28 CO 0.00 -0.48 0.98 -2.00 -1.00 0.00 0.00 179.01 176.51 3g4t s GLU 29 N -4.26 4.22 -0.73 2.33 2.56 0.33 -4.95 118.70 118.19 3g4t s GLU 29 Ca -0.11 2.03 -0.07 0.00 0.00 0.00 0.00 54.97 56.81 3g4t s GLU 29 Cb 0.01 -3.81 0.19 0.00 2.00 0.00 0.00 34.13 32.52 3g4t s GLU 29 CO 0.33 -0.74 0.60 0.15 -0.56 0.00 0.00 175.26 175.04 3g4t s LYS 30 N 3.41 3.06 0.49 4.30 3.01 -1.26 -4.50 119.74 128.25 3g4t s LYS 30 Ca 0.67 -2.56 -0.09 0.00 -1.01 0.00 0.00 55.97 52.98 3g4t s LYS 30 Cb -0.31 -4.04 -0.05 0.00 -1.01 0.00 0.00 37.83 32.42 3g4t s LYS 30 CO 0.26 -1.23 0.85 -1.25 0.51 0.00 0.00 175.35 174.49 3g4t s PRO 31 N -0.07 3.65 0.07 -1.68 0.04 -1.26 -4.93 135.00 130.82 3g4t s PRO 31 Ca 0.18 0.44 0.09 0.00 0.04 0.00 0.00 61.00 61.76 3g4t s PRO 31 Cb -0.15 -2.30 -0.20 0.00 0.04 0.00 0.00 34.50 31.88 3g4t s PRO 31 CO -0.06 -0.24 1.09 -0.44 0.04 0.00 0.00 177.00 177.38 3g4t h ASP 32 N 0.44 0.00 -4.07 6.66 3.32 -0.59 -3.45 116.42 118.73 3g4t h ASP 32 Ca -0.46 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.26 3g4t h ASP 32 Cb 1.20 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 3g4t h ASP 32 CO 0.62 0.97 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.73 3g4t s ILE 33 N -2.69 0.48 -0.14 0.35 1.01 -0.90 -1.77 121.20 117.54 3g4t s ILE 33 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3g4t s ILE 33 Cb 0.09 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 42.15 3g4t s ILE 33 CO 0.82 0.05 -0.14 -0.22 0.00 0.00 0.00 174.94 175.44 3g4t s LEU 34 N -0.38 1.69 -0.14 2.97 0.20 0.16 -1.80 118.68 121.37 3g4t s LEU 34 Ca 0.00 -0.47 -0.03 0.00 0.69 0.00 0.00 54.13 54.33 3g4t s LEU 34 Cb -0.04 -1.15 -0.03 0.00 -0.43 0.00 0.00 46.19 44.55 3g4t s LEU 34 CO -0.00 -0.03 -0.05 0.00 -0.29 0.00 0.00 176.35 175.98 3g4t s LEU 36 N 0.18 2.10 0.17 0.00 1.43 0.19 -1.06 118.68 121.69 3g4t s LEU 36 Ca -0.02 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.76 3g4t s LEU 36 Cb -0.14 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 3g4t s LEU 36 CO 0.03 0.16 -0.18 -1.10 0.23 0.00 0.00 176.35 175.49 3g4t s GLN 37 N -0.79 1.29 -1.17 1.70 1.11 -0.10 -1.83 119.66 119.87 3g4t s GLN 37 Ca 0.06 -1.43 -0.00 0.00 0.01 0.00 0.00 55.36 54.00 3g4t s GLN 37 Cb -0.08 -1.34 -0.00 0.00 -1.01 0.00 0.00 33.01 30.58 3g4t s GLN 37 CO 0.00 0.27 0.98 0.39 0.01 0.00 0.00 175.29 176.94 3g4t n GLU 38 N 0.24 -6.26 0.14 2.91 1.02 -0.15 -0.73 120.64 117.80 3g4t n GLU 38 Ca -0.13 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 3g4t n GLU 38 Cb 0.57 -5.80 0.28 0.00 -0.02 0.00 0.00 31.44 26.46 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 -1.82 1.31 -5.85 -3.67 3.07 -1.22 0.32 117.51 109.66 3g4t h ILE 39 Ca -0.58 -1.50 -0.37 0.00 1.55 0.00 0.00 64.86 63.95 3g4t h ILE 39 Cb 1.33 1.76 0.12 0.00 -0.27 0.00 0.00 36.82 39.76 3g4t h ILE 39 CO 0.49 0.44 -0.77 0.29 -1.05 0.00 0.00 178.15 177.54 3g4t n LYS 40 N -4.02 -6.26 -3.59 0.16 5.02 0.26 -0.65 118.16 109.08 3g4t n LYS 40 Ca -0.02 0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 56.94 3g4t n LYS 40 Cb 0.47 -5.65 -0.05 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.44 -1.95 0.26 7.82 0.00 -1.26 -4.46 121.76 118.74 3g4t s ALA 41 Ca 0.13 1.63 -0.16 0.00 0.00 0.00 0.00 51.96 53.56 3g4t s ALA 41 Cb -0.06 -0.84 -0.08 0.00 0.00 0.00 0.00 23.12 22.14 3g4t s ALA 41 CO 0.76 -0.29 0.70 0.00 0.00 0.00 0.00 175.76 176.93 3g4t s ALA 42 N -0.94 3.40 0.27 0.00 0.00 -1.26 -4.67 121.76 118.55 3g4t s ALA 42 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 3g4t s ALA 42 Cb -0.01 -2.74 0.59 0.00 0.00 0.00 0.00 23.12 20.96 3g4t s ALA 42 CO 0.00 0.35 1.65 -1.35 0.00 0.00 0.00 175.76 176.41 3g4t h PRO 43 N 2.83 0.19 -0.11 0.00 0.11 -1.96 -0.04 132.00 133.02 3g4t h PRO 43 Ca -0.48 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3g4t h PRO 43 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3g4t h PRO 43 CO 0.66 0.12 0.11 1.05 -0.21 0.00 0.00 178.00 179.73 3g4t h GLU 44 N 0.19 0.00 0.00 1.05 9.09 -2.01 0.30 114.58 123.20 3g4t h GLU 44 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3g4t h GLU 44 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 3g4t h GLU 44 CO -0.64 0.00 0.00 1.04 0.05 0.00 0.00 179.01 179.46 3g4t n GLN 45 N -3.96 0.27 -3.44 1.06 6.02 -0.03 -4.87 117.38 112.43 3g4t n GLN 45 Ca -0.00 0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.62 3g4t n GLN 45 Cb 0.22 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.72 4.45 0.59 1.08 1.43 0.11 -5.00 118.68 118.61 3g4t s LEU 46 Ca 0.23 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 54.12 3g4t s LEU 46 Cb 0.19 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 3g4t s LEU 46 CO 0.47 0.27 1.08 -2.65 0.23 0.00 0.00 176.35 175.75 3g4t n PRO 47 N 2.10 1.09 -0.12 1.29 -0.02 -1.26 -4.75 135.00 133.33 3g4t n PRO 47 Ca -0.12 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 3g4t n PRO 47 Cb 0.52 -2.28 0.33 0.00 -0.02 0.00 0.00 33.50 32.05 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 0.71 0.77 0.00 -0.52 3.08 -1.96 -0.67 114.38 115.80 3g4t h ARG 48 Ca -0.49 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.49 3g4t h ARG 48 Cb 1.35 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3g4t h ARG 48 CO 0.53 0.51 -0.11 0.87 -1.07 0.00 0.00 179.97 180.69 3g4t h LYS 49 N 0.80 0.00 0.12 0.04 1.79 -1.91 -2.01 116.57 115.39 3g4t h LYS 49 Ca 0.22 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.38 3g4t h LYS 49 Cb -0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3g4t h LYS 49 CO -0.05 0.11 -1.61 -0.07 -1.08 0.00 0.00 179.45 176.75 3g4t h LEU 50 N 0.00 0.38 -0.25 2.94 3.38 -1.51 -3.39 115.31 116.87 3g4t h LEU 50 Ca -0.00 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3g4t h LEU 50 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3g4t h LEU 50 CO 0.01 1.49 0.07 0.03 0.09 0.00 0.00 178.44 180.13 3g4t h ARG 51 N 0.07 0.39 -5.57 1.13 2.47 -1.04 -3.42 114.38 108.42 3g4t h ARG 51 Ca -0.27 -0.09 -0.66 0.00 -1.26 0.00 0.00 59.98 57.70 3g4t h ARG 51 Cb 2.02 -0.05 -0.32 0.00 -1.65 0.00 0.00 29.97 29.97 3g4t h ARG 51 CO 0.15 0.48 -0.87 -1.58 0.56 0.00 0.00 179.97 178.70 3g4t s HIS 52 N -5.35 2.34 -0.09 3.04 2.46 -0.78 -4.70 115.29 112.21 3g4t s HIS 52 Ca -0.14 -0.82 0.01 0.00 0.47 0.00 0.00 55.06 54.59 3g4t s HIS 52 Cb 0.08 -1.56 0.02 0.00 -0.13 0.00 0.00 32.58 30.99 3g4t s HIS 52 CO 0.73 -0.30 -0.12 0.08 -2.47 0.00 0.00 174.74 172.66 3g4t s VAL 53 N 0.11 1.22 -0.18 0.89 1.01 -1.26 -4.52 120.40 117.66 3g4t s VAL 53 Ca -0.10 -0.48 -0.41 0.00 0.00 0.00 0.00 61.98 60.98 3g4t s VAL 53 Cb -0.15 -1.14 -0.18 0.00 0.00 0.00 0.00 36.38 34.91 3g4t s VAL 53 CO 0.06 0.38 1.45 -0.62 0.00 0.00 0.00 175.10 176.37 3g4t n GLU 54 N 4.18 0.59 -0.26 2.72 -0.58 -1.26 -1.44 120.64 124.58 3g4t n GLU 54 Ca -0.19 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3g4t n GLU 54 Cb 0.51 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 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 3.11 1.06 3.28 0.62 0.00 -1.26 -5.04 105.19 106.97 3g4t n GLY 55 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.74 1.84 -0.20 1.61 2.02 -0.52 -4.22 117.35 115.14 3g4t s TYR 56 Ca 0.00 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.19 3g4t s TYR 56 Cb 0.00 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 3g4t s TYR 56 CO 0.00 0.17 0.19 1.03 -1.57 0.00 0.00 175.55 175.37 3g4t s ARG 57 N -1.65 4.17 -0.14 -0.62 0.52 0.25 -4.56 118.95 116.93 3g4t s ARG 57 Ca 0.07 -0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 55.10 3g4t s ARG 57 Cb -0.10 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 3g4t s ARG 57 CO 0.03 0.20 0.02 -1.54 0.02 0.00 0.00 175.30 174.04 3g4t s SER 58 N 0.61 5.31 -0.09 0.23 1.04 -1.26 -1.15 113.70 118.38 3g4t s SER 58 Ca 0.10 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.62 3g4t s SER 58 Cb -0.12 -1.75 0.01 0.00 0.10 0.00 0.00 66.02 64.26 3g4t s SER 58 CO 0.01 0.26 -0.15 -0.36 0.98 0.00 0.00 173.24 173.98 3g4t s PHE 59 N -0.14 1.88 -0.09 5.02 0.40 0.17 -5.00 117.98 120.22 3g4t s PHE 59 Ca 0.05 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 3g4t s PHE 59 Cb -0.12 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 3g4t s PHE 59 CO 0.02 -0.40 -0.21 -0.06 0.70 0.00 0.00 175.22 175.26 3g4t s PHE 60 N 0.81 2.59 -0.53 0.36 0.40 -1.26 -0.84 117.98 119.51 3g4t s PHE 60 Ca -0.11 -0.80 0.04 0.00 -0.60 0.00 0.00 56.93 55.46 3g4t s PHE 60 Cb -0.16 -1.70 0.15 0.00 0.51 0.00 0.00 43.02 41.82 3g4t s PHE 60 CO 0.02 -0.27 0.34 0.99 0.70 0.00 0.00 175.22 176.99 3g4t s THR 61 N 0.12 1.87 0.68 0.64 2.01 -0.11 -5.02 115.64 115.83 3g4t s THR 61 Ca -0.11 -3.23 -0.11 0.00 0.31 0.00 0.00 61.69 58.56 3g4t s THR 61 Cb -0.16 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.07 3g4t s THR 61 CO 0.06 -0.97 1.05 -2.16 -0.69 0.00 0.00 174.62 171.92 3g4t s PRO 62 N -0.36 3.10 0.43 4.92 0.04 -1.26 -1.77 135.00 140.10 3g4t s PRO 62 Ca 0.22 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.86 3g4t s PRO 62 Cb -0.14 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3g4t s PRO 62 CO -0.08 -0.95 1.04 0.00 0.04 0.00 0.00 177.00 177.05 3g4t s ALA 63 N -3.12 3.01 0.22 8.56 0.00 -1.25 -4.27 121.76 124.90 3g4t s ALA 63 Ca 0.57 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 3g4t s ALA 63 Cb -0.13 -3.25 0.34 0.00 0.00 0.00 0.00 23.12 20.07 3g4t s ALA 63 CO 0.54 -0.22 1.70 0.93 0.00 0.00 0.00 175.76 178.72 3g4t h GLU 64 N 2.13 0.26 -6.56 0.00 5.08 -1.75 -3.40 114.58 110.35 3g4t h GLU 64 Ca -0.49 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.33 3g4t h GLU 64 Cb 1.21 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.44 3g4t h GLU 64 CO 0.61 0.17 0.84 0.50 -1.00 0.00 0.00 179.01 180.13 3g4t s ARG 65 N -6.09 4.25 0.15 2.33 3.52 -1.26 -4.94 118.95 116.91 3g4t s ARG 65 Ca -0.13 2.24 -0.30 0.00 -0.13 0.00 0.00 55.73 57.41 3g4t s ARG 65 Cb 0.19 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 30.24 3g4t s ARG 65 CO 0.74 -0.56 1.28 0.21 -0.81 0.00 0.00 175.30 176.16 3g4t s LYS 66 N 1.37 4.40 -0.52 5.12 2.20 -1.26 -3.09 119.74 127.96 3g4t s LYS 66 Ca 0.68 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 3g4t s LYS 66 Cb -0.40 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3g4t s LYS 66 CO 0.31 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 3g4t n GLY 67 N 2.71 0.72 3.35 5.54 0.00 -1.26 -5.01 105.19 111.24 3g4t n GLY 67 Ca 0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.01 2.41 0.00 1.61 5.04 -1.18 -4.66 117.35 118.56 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 2.27 0.00 0.00 4.32 2.88 -1.26 -3.94 113.62 117.89 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 0.14 3.28 0.46 0.00 -0.85 -0.57 105.19 107.63 3g4t n GLY 70 Ca 0.00 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.29 1.46 0.01 1.61 -7.23 -0.73 -0.98 120.40 113.25 3g4t s VAL 71 Ca 0.00 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 3g4t s VAL 71 Cb 0.00 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 3g4t s VAL 71 CO 0.00 -0.50 0.05 0.00 -0.31 0.00 0.00 175.10 174.34 3g4t s ALA 72 N -2.50 -0.08 -0.05 1.32 0.00 -0.76 -0.94 121.76 118.75 3g4t s ALA 72 Ca 0.14 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3g4t s ALA 72 Cb -0.03 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3g4t s ALA 72 CO 0.04 -0.18 -0.06 1.41 0.00 0.00 0.00 175.76 176.96 3g4t s MET 73 N -1.45 1.01 -0.17 0.00 1.75 -0.02 -0.64 119.30 119.77 3g4t s MET 73 Ca -0.15 -0.19 -0.05 0.00 -1.25 0.00 0.00 55.69 54.05 3g4t s MET 73 Cb -0.09 -0.94 -0.03 0.00 2.84 0.00 0.00 34.83 36.61 3g4t s MET 73 CO 0.00 -0.04 -0.01 0.71 -0.65 0.00 0.00 175.02 175.04 3g4t s TYR 74 N 0.77 3.06 -0.04 4.11 1.51 0.11 -0.65 117.35 126.21 3g4t s TYR 74 Ca -0.12 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3g4t s TYR 74 Cb -0.14 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 3g4t s TYR 74 CO 0.01 -0.08 -0.01 -0.08 -1.11 0.00 0.00 175.55 174.28 3g4t s THR 75 N 0.59 0.30 0.46 -0.71 -1.32 -0.30 -0.67 115.64 113.99 3g4t s THR 75 Ca -0.01 0.06 0.13 0.00 -1.21 0.00 0.00 61.69 60.66 3g4t s THR 75 Cb -0.14 -0.40 0.29 0.00 -1.51 0.00 0.00 72.50 70.74 3g4t s THR 75 CO 0.02 0.19 2.06 0.11 -2.21 0.00 0.00 174.62 174.80 3g4t h LYS 76 N 7.54 0.29 -4.81 7.08 1.57 -1.52 0.74 116.57 127.46 3g4t h LYS 76 Ca -0.34 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 57.79 3g4t h LYS 76 Cb 1.14 -0.07 -0.36 0.00 0.08 0.00 0.00 32.23 33.02 3g4t h LYS 76 CO 0.41 0.19 -0.84 0.08 -0.57 0.00 0.00 179.45 178.72 3g4t s VAL 77 N -5.30 1.75 0.51 0.50 1.01 -1.26 -4.79 120.40 112.82 3g4t s VAL 77 Ca -0.07 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 3g4t s VAL 77 Cb 0.18 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 3g4t s VAL 77 CO 0.72 0.49 1.07 -2.65 0.00 0.00 0.00 175.10 174.73 3g4t n PRO 78 N 4.70 1.31 -1.94 2.72 -0.02 -1.26 -5.02 135.00 135.49 3g4t n PRO 78 Ca -0.18 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 3g4t n PRO 78 Cb 0.50 -2.21 0.02 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.43 3.42 0.23 0.52 0.04 -1.26 -4.95 135.00 130.57 3g4t s PRO 79 Ca 0.69 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 3g4t s PRO 79 Cb -0.48 -2.09 0.22 0.00 0.04 0.00 0.00 34.50 32.19 3g4t s PRO 79 CO 0.52 -0.65 1.75 0.77 0.04 0.00 0.00 177.00 179.43 3g4t h SER 80 N -0.35 0.95 -5.25 6.66 0.02 -0.55 -3.47 113.55 111.56 3g4t h SER 80 Ca -0.44 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.18 3g4t h SER 80 Cb 1.21 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 3g4t h SER 80 CO 0.62 0.94 0.03 -0.94 -1.14 0.00 0.00 176.83 176.34 3g4t s SER 81 N -6.53 0.35 -0.27 3.07 1.04 -1.26 -5.01 113.70 105.09 3g4t s SER 81 Ca -0.11 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3g4t s SER 81 Cb 0.15 0.73 0.15 0.00 0.10 0.00 0.00 66.02 67.15 3g4t s SER 81 CO 0.83 -1.44 0.38 -0.22 0.98 0.00 0.00 173.24 173.77 3g4t s LEU 82 N -3.12 -0.64 0.03 2.42 0.20 -1.26 -2.40 118.68 113.91 3g4t s LEU 82 Ca 0.22 -0.26 -0.21 0.00 0.69 0.00 0.00 54.13 54.57 3g4t s LEU 82 Cb -0.03 1.00 -0.06 0.00 -0.43 0.00 0.00 46.19 46.67 3g4t s LEU 82 CO 0.14 -0.34 0.61 -0.60 -0.29 0.00 0.00 176.35 175.87 3g4t s ARG 83 N 2.51 4.31 0.00 1.98 3.52 -0.42 -4.90 118.95 125.95 3g4t s ARG 83 Ca 0.10 0.78 0.12 0.00 -0.13 0.00 0.00 55.73 56.60 3g4t s ARG 83 Cb -0.14 -3.31 0.30 0.00 -1.56 0.00 0.00 34.95 30.24 3g4t s ARG 83 CO -0.26 0.44 1.22 0.39 -0.81 0.00 0.00 175.30 176.28 3g4t n GLU 84 N 2.44 2.55 -3.84 5.12 1.02 -1.26 -0.45 120.64 126.22 3g4t n GLU 84 Ca -0.07 -1.97 -0.08 0.00 -0.02 0.00 0.00 57.16 55.02 3g4t n GLU 84 Cb 0.51 -1.28 -0.01 0.00 -0.02 0.00 0.00 31.44 30.64 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 -1.00 0.06 0.00 0.62 0.00 -1.26 -4.45 107.32 101.28 3g4t s GLY 85 Ca 0.24 -0.45 0.25 0.00 0.00 0.00 0.00 44.72 44.76 3g4t s GLY 85 CO 0.17 -0.15 1.39 0.69 0.00 0.00 0.00 173.10 175.20 3g4t n PHE 86 N -0.48 0.00 -0.51 1.90 3.72 -1.26 -4.93 117.46 115.89 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 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.46 0.69 2.98 1.37 0.00 -1.26 -5.05 105.19 105.39 3g4t n GLY 87 Ca 0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 1.47 0.15 1.61 0.11 -1.26 -5.06 120.40 115.43 3g4t s VAL 88 Ca 0.00 -0.70 -0.21 0.00 -2.93 0.00 0.00 61.98 58.14 3g4t s VAL 88 Cb 0.00 -1.47 0.05 0.00 -1.53 0.00 0.00 36.38 33.43 3g4t s VAL 88 CO 0.00 0.33 1.64 -0.08 -3.33 0.00 0.00 175.10 173.66 3g4t h GLU 89 N 8.05 -0.18 -0.39 1.54 4.22 -1.98 -1.43 114.58 124.42 3g4t h GLU 89 Ca -0.33 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.16 3g4t h GLU 89 Cb 1.12 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3g4t h GLU 89 CO 0.48 -0.12 0.26 0.07 -2.18 0.00 0.00 179.01 177.53 3g4t h ARG 90 N -0.18 0.40 0.00 1.92 0.11 -2.02 -1.56 114.38 113.04 3g4t h ARG 90 Ca 0.15 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.21 3g4t h ARG 90 Cb 0.41 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.40 3g4t h ARG 90 CO -0.39 0.26 -0.55 0.74 0.10 0.00 0.00 179.97 180.13 3g4t h PHE 91 N 0.41 0.00 0.00 4.08 0.05 -1.69 -3.38 116.94 116.41 3g4t h PHE 91 Ca 0.16 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.95 3g4t h PHE 91 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.07 3g4t h PHE 91 CO -0.00 0.00 -1.36 -0.25 -0.18 0.00 0.00 178.31 176.52 3g4t n ASP 92 N -2.17 0.51 0.05 2.17 9.92 -0.61 -4.35 116.55 122.08 3g4t n ASP 92 Ca 0.03 0.13 0.11 0.00 -0.53 0.00 0.00 54.79 54.54 3g4t n ASP 92 Cb 0.44 1.05 -0.03 0.00 -0.64 0.00 0.00 41.12 41.94 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 -2.42 0.31 -2.86 -3.53 -2.24 -1.11 -4.78 114.28 97.65 3g4t n THR 93 Ca -0.01 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 61.00 3g4t n THR 93 Cb 0.54 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 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 -3.34 4.33 -1.25 -0.78 2.02 -1.26 -1.97 118.70 116.46 3g4t s GLU 94 Ca -0.01 1.13 -0.09 0.00 0.02 0.00 0.00 54.97 56.03 3g4t s GLU 94 Cb 0.12 -2.47 -0.10 0.00 0.10 0.00 0.00 34.13 31.78 3g4t s GLU 94 CO 0.82 0.13 3.04 0.41 0.02 0.00 0.00 175.26 179.68 3g4t n GLY 95 N -0.09 4.11 0.00 -1.39 0.00 -1.26 -4.54 105.19 102.02 3g4t n GLY 95 Ca 0.04 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 3.11 1.80 -3.94 1.61 1.74 -1.26 -1.87 116.66 117.84 3g4t n ARG 96 Ca 0.69 -0.04 -0.26 0.00 -0.77 0.00 0.00 57.85 57.48 3g4t n ARG 96 Cb 0.38 -1.22 -0.17 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.53 0.95 -0.13 0.55 1.01 -1.26 -0.95 121.20 118.85 3g4t s ILE 97 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 3g4t s ILE 97 Cb 0.10 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.62 3g4t s ILE 97 CO 0.59 0.35 -0.05 -1.10 0.00 0.00 0.00 174.94 174.73 3g4t s GLN 98 N 1.66 1.33 -0.34 2.79 -0.21 -0.40 -4.36 119.66 120.12 3g4t s GLN 98 Ca 0.04 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 3g4t s GLN 98 Cb -0.13 -1.66 0.08 0.00 1.00 0.00 0.00 33.01 32.31 3g4t s GLN 98 CO -0.07 -0.34 0.08 0.42 -2.12 0.00 0.00 175.29 173.25 3g4t s ILE 99 N 1.73 2.92 -0.26 1.08 1.01 0.41 -0.11 121.20 127.97 3g4t s ILE 99 Ca 0.03 -1.82 -0.07 0.00 0.00 0.00 0.00 60.65 58.79 3g4t s ILE 99 Cb -0.14 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 3g4t s ILE 99 CO -0.08 -0.41 0.08 0.00 0.00 0.00 0.00 174.94 174.54 3g4t s ALA 100 N 1.14 3.15 -0.42 9.38 0.00 0.24 -1.29 121.76 133.95 3g4t s ALA 100 Ca 0.02 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 3g4t s ALA 100 Cb -0.21 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.82 3g4t s ALA 100 CO -0.04 -0.62 1.04 0.34 0.00 0.00 0.00 175.76 176.48 3g4t s ASP 101 N 1.59 6.66 -0.24 0.00 -1.08 -1.01 -0.09 116.67 122.50 3g4t s ASP 101 Ca 0.05 0.51 0.13 0.00 -0.52 0.00 0.00 52.55 52.73 3g4t s ASP 101 Cb -0.16 -2.51 0.59 0.00 -1.46 0.00 0.00 42.92 39.38 3g4t s ASP 101 CO 0.04 -1.06 1.54 0.49 0.52 0.00 0.00 175.17 176.69 3g4t n PHE 102 N 7.30 1.38 0.00 -5.34 3.01 -0.18 0.28 117.46 123.92 3g4t n PHE 102 Ca 0.10 -1.13 0.00 0.00 1.01 0.00 0.00 57.45 57.43 3g4t n PHE 102 Cb 0.48 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 -0.55 0.00 -0.34 4.37 9.92 -1.26 -4.15 116.55 124.54 3g4t n ASP 103 Ca 0.29 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.54 3g4t n ASP 103 Cb 1.06 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.58 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 -1.31 -4.81 -2.24 5.19 -1.95 -3.42 116.42 107.88 3g4t h ASP 104 Ca 0.00 0.29 -0.21 0.00 -0.62 0.00 0.00 57.03 56.49 3g4t h ASP 104 Cb 0.00 0.70 -0.22 0.00 0.18 0.00 0.00 39.33 39.99 3g4t h ASP 104 CO 0.00 -0.29 -0.71 0.72 -3.12 0.00 0.00 179.24 175.83 3g4t s PHE 105 N -6.00 0.39 0.35 4.55 -0.71 -1.26 -4.02 117.98 111.29 3g4t s PHE 105 Ca -0.14 -0.48 -0.26 0.00 -1.04 0.00 0.00 56.93 55.01 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 0.72 -0.14 1.06 -0.51 -1.34 0.00 0.00 175.22 175.01 3g4t s LEU 106 N -1.39 4.29 -0.21 -1.99 1.43 -0.32 -1.01 118.68 119.48 3g4t s LEU 106 Ca -0.13 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.09 3g4t s LEU 106 Cb -0.09 -3.99 0.03 0.00 0.03 0.00 0.00 46.19 42.17 3g4t s LEU 106 CO -0.00 -0.35 -0.16 -0.22 0.23 0.00 0.00 176.35 175.85 3g4t s LEU 107 N -2.21 2.69 -0.27 1.79 2.96 0.87 -0.87 118.68 123.65 3g4t s LEU 107 Ca 0.53 -0.93 -0.17 0.00 -0.22 0.00 0.00 54.13 53.34 3g4t s LEU 107 Cb -0.25 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3g4t s LEU 107 CO 0.32 -0.08 0.46 -0.31 -1.32 0.00 0.00 176.35 175.42 3g4t s TYR 108 N 1.23 3.25 -0.33 5.38 1.51 0.22 -0.59 117.35 128.01 3g4t s TYR 108 Ca -0.00 0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 56.54 3g4t s TYR 108 Cb -0.16 -2.67 0.05 0.00 -0.11 0.00 0.00 41.96 39.07 3g4t s TYR 108 CO -0.09 -0.27 0.09 1.21 -1.11 0.00 0.00 175.55 175.37 3g4t s ASN 109 N 1.59 5.21 -0.03 2.29 3.84 0.84 -0.62 114.94 128.05 3g4t s ASN 109 Ca 0.19 -1.24 0.04 0.00 0.21 0.00 0.00 52.86 52.06 3g4t s ASN 109 Cb -0.16 -1.83 -0.00 0.00 -0.55 0.00 0.00 41.25 38.71 3g4t s ASN 109 CO 0.10 -0.33 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.29 3g4t s ILE 110 N 1.35 1.27 -0.46 -5.21 -1.09 -0.83 -1.27 121.20 114.95 3g4t s ILE 110 Ca -0.02 -0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 3g4t s ILE 110 Cb -0.20 -1.09 0.12 0.00 -1.58 0.00 0.00 42.46 39.71 3g4t s ILE 110 CO 0.01 0.37 0.30 -0.47 -1.23 0.00 0.00 174.94 173.93 3g4t s TYR 111 N -0.02 3.48 0.32 3.97 5.04 -0.13 -2.10 117.35 127.91 3g4t s TYR 111 Ca -0.02 -2.06 -0.28 0.00 -2.44 0.00 0.00 57.07 52.28 3g4t s TYR 111 Cb -0.10 -3.42 -0.09 0.00 0.35 0.00 0.00 41.96 38.70 3g4t s TYR 111 CO 0.01 -0.99 1.07 -0.06 -1.34 0.00 0.00 175.55 174.25 3g4t s PHE 112 N 1.27 3.51 0.32 4.97 0.40 -0.18 -4.73 117.98 123.54 3g4t s PHE 112 Ca 0.07 1.70 -0.29 0.00 -0.60 0.00 0.00 56.93 57.80 3g4t s PHE 112 Cb -0.25 -3.21 -0.11 0.00 0.51 0.00 0.00 43.02 39.96 3g4t s PHE 112 CO -0.02 -0.50 1.52 -2.14 0.70 0.00 0.00 175.22 174.78 3g4t s PRO 113 N -1.77 4.15 0.27 0.24 0.02 -1.26 -4.65 135.00 132.00 3g4t s PRO 113 Ca 0.49 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.73 3g4t s PRO 113 Cb -0.28 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.13 3g4t s PRO 113 CO 0.36 -0.54 1.11 1.21 -0.33 0.00 0.00 177.00 178.81 3g4t s ASN 114 N 0.18 7.24 0.00 2.53 3.84 -1.26 -4.85 114.94 122.62 3g4t s ASN 114 Ca 0.58 2.28 0.12 0.00 0.21 0.00 0.00 52.86 56.04 3g4t s ASN 114 Cb -0.46 -2.63 0.26 0.00 -0.55 0.00 0.00 41.25 37.87 3g4t s ASN 114 CO 0.53 -0.17 1.15 0.61 -2.79 0.00 0.00 177.10 176.43 3g4t n GLY 115 N 1.27 1.80 0.14 1.21 0.00 -1.26 -4.73 105.19 103.62 3g4t n GLY 115 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 2.26 0.00 0.00 1.61 1.57 -1.93 -3.33 116.57 116.74 3g4t h LYS 116 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3g4t h LYS 116 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3g4t h LYS 116 CO 0.00 0.59 -0.71 0.00 -0.57 0.00 0.00 179.45 178.76 3g4t h MET 117 N 0.00 0.00 -2.60 3.15 -0.00 -1.99 -3.48 114.93 110.01 3g4t h MET 117 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.64 3g4t h MET 117 Cb 1.05 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.49 3g4t h MET 117 CO 0.08 0.18 0.12 -1.54 -0.00 0.00 0.00 176.91 175.75 3g4t s SER 118 N -5.94 -0.53 0.22 -0.10 1.04 -1.25 -5.02 113.70 102.11 3g4t s SER 118 Ca 0.02 0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.66 3g4t s SER 118 Cb 0.08 0.53 0.28 0.00 0.10 0.00 0.00 66.02 67.01 3g4t s SER 118 CO 0.75 -0.75 1.80 -0.08 0.98 0.00 0.00 173.24 175.95 3g4t h GLU 119 N 2.66 0.67 0.00 4.02 4.81 -1.92 -1.47 114.58 123.35 3g4t h GLU 119 Ca -0.30 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 3g4t h GLU 119 Cb 1.21 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3g4t h GLU 119 CO 0.40 0.44 -0.27 1.05 -0.73 0.00 0.00 179.01 179.90 3g4t h GLU 120 N 0.69 0.00 0.20 1.92 9.09 -1.95 -1.49 114.58 123.04 3g4t h GLU 120 Ca 0.32 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.42 3g4t h GLU 120 Cb 0.24 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.37 3g4t h GLU 120 CO -0.21 0.27 -1.34 0.00 0.05 0.00 0.00 179.01 177.79 3g4t h ARG 121 N 0.00 0.56 -0.81 1.06 2.47 -1.77 -1.95 114.38 113.94 3g4t h ARG 121 Ca -0.00 -0.87 0.07 0.00 -1.26 0.00 0.00 59.98 57.91 3g4t h ARG 121 Cb 0.71 0.31 -0.05 0.00 -1.65 0.00 0.00 29.97 29.29 3g4t h ARG 121 CO 0.04 1.41 0.53 1.25 0.56 0.00 0.00 179.97 183.75 3g4t h LEU 122 N 0.16 0.78 -0.28 3.04 5.85 -1.04 0.92 115.31 124.72 3g4t h LEU 122 Ca -0.22 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3g4t h LEU 122 Cb 2.04 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 3g4t h LEU 122 CO 0.25 0.50 -0.11 0.50 -0.34 0.00 0.00 178.44 179.25 3g4t h LYS 123 N 0.88 0.57 -0.98 1.25 3.64 -1.28 -2.63 116.57 118.03 3g4t h LYS 123 Ca 0.35 -0.24 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3g4t h LYS 123 Cb 0.24 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 3g4t h LYS 123 CO -0.12 0.80 0.63 -0.92 -2.27 0.00 0.00 179.45 177.56 3g4t h TYR 124 N 0.32 1.15 -0.14 1.91 3.20 -0.52 -0.98 116.97 121.92 3g4t h TYR 124 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3g4t h TYR 124 Cb 0.61 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3g4t h TYR 124 CO 0.06 0.56 0.08 -0.22 -1.64 0.00 0.00 178.16 177.00 3g4t h LYS 125 N 1.10 0.18 -0.10 1.82 3.64 -0.69 0.18 116.57 122.70 3g4t h LYS 125 Ca 0.44 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.67 3g4t h LYS 125 Cb 0.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3g4t h LYS 125 CO -0.19 0.17 -0.51 -0.07 -2.27 0.00 0.00 179.45 176.58 3g4t h LEU 126 N 0.15 0.29 -0.41 5.20 3.38 -1.08 0.97 115.31 123.81 3g4t h LEU 126 Ca 0.05 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 3g4t h LEU 126 Cb 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3g4t h LEU 126 CO -0.01 0.75 -0.76 -0.33 0.09 0.00 0.00 178.44 178.18 3g4t h GLU 127 N 0.21 0.29 0.48 1.13 5.08 -1.02 -1.14 114.58 119.61 3g4t h GLU 127 Ca 0.01 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3g4t h GLU 127 Cb 0.97 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3g4t h GLU 127 CO 0.08 0.92 -0.24 0.35 -1.00 0.00 0.00 179.01 179.12 3g4t h PHE 128 N 0.19 -0.61 -0.91 4.33 3.57 -0.65 -0.70 116.94 122.17 3g4t h PHE 128 Ca -0.03 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.62 3g4t h PHE 128 Cb 1.34 0.20 -0.16 0.00 2.79 0.00 0.00 35.95 40.12 3g4t h PHE 128 CO 0.03 -0.38 -0.30 1.88 -2.23 0.00 0.00 178.31 177.31 3g4t h TYR 129 N -0.66 -0.76 0.74 0.41 0.99 -0.68 0.28 116.97 117.29 3g4t h TYR 129 Ca -0.07 0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 3g4t h TYR 129 Cb 0.50 0.47 0.00 0.00 1.00 0.00 0.00 36.73 38.71 3g4t h TYR 129 CO -0.04 -0.40 -0.39 -0.44 -0.00 0.00 0.00 178.16 176.89 3g4t h ASP 130 N -0.02 -0.96 -0.80 3.88 3.32 -0.97 -1.55 116.42 119.33 3g4t h ASP 130 Ca 0.38 0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.64 3g4t h ASP 130 Cb 0.63 0.26 -0.11 0.00 0.22 0.00 0.00 39.33 40.33 3g4t h ASP 130 CO -0.93 -0.64 0.29 0.00 -1.72 0.00 0.00 179.24 176.24 3g4t h ALA 131 N -0.81 1.14 -0.18 3.45 0.00 -0.33 -0.59 119.26 121.95 3g4t h ALA 131 Ca -0.10 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3g4t h ALA 131 Cb 0.82 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3g4t h ALA 131 CO 0.14 -0.28 -0.10 0.35 0.00 0.00 0.00 179.25 179.36 3g4t h PHE 132 N 0.39 -0.23 -0.16 0.00 3.57 -0.22 -2.29 116.94 117.99 3g4t h PHE 132 Ca 0.46 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.99 3g4t h PHE 132 Cb 0.78 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3g4t h PHE 132 CO -0.19 -0.15 0.06 1.25 -2.23 0.00 0.00 178.31 177.06 3g4t h LEU 133 N -0.08 0.08 -0.40 0.59 6.46 -0.08 -0.01 115.31 121.87 3g4t h LEU 133 Ca 0.10 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 3g4t h LEU 133 Cb 0.23 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.08 3g4t h LEU 133 CO -0.23 0.07 -0.18 -0.33 -0.62 0.00 0.00 178.44 177.15 3g4t h GLU 134 N 0.15 -0.10 0.56 1.25 5.08 -1.37 0.16 114.58 120.30 3g4t h GLU 134 Ca 0.07 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3g4t h GLU 134 Cb 0.03 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3g4t h GLU 134 CO -0.06 -0.07 -0.31 0.22 -1.00 0.00 0.00 179.01 177.79 3g4t h ASP 135 N -0.11 -0.76 -0.37 1.42 3.58 -0.87 0.97 116.42 120.28 3g4t h ASP 135 Ca 0.20 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 3g4t h ASP 135 Cb 0.41 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 3g4t h ASP 135 CO -0.47 -0.50 0.15 1.62 -2.88 0.00 0.00 179.24 177.15 3g4t h VAL 136 N -0.81 1.18 -0.09 2.25 3.04 -0.85 -2.52 116.25 118.44 3g4t h VAL 136 Ca -0.07 -0.58 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 3g4t h VAL 136 Cb 0.64 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 30.61 3g4t h VAL 136 CO 0.09 0.22 -0.02 0.78 -1.01 0.00 0.00 177.57 177.63 3g4t h ASN 137 N 0.61 0.17 -0.89 3.17 2.35 -0.77 -1.25 115.58 118.98 3g4t h ASN 137 Ca 0.15 -0.37 0.22 0.00 -0.55 0.00 0.00 56.30 55.75 3g4t h ASN 137 Cb 0.17 -0.05 -0.12 0.00 0.05 0.00 0.00 38.32 38.37 3g4t h ASN 137 CO -0.01 0.50 0.38 -0.09 -1.65 0.00 0.00 177.43 176.56 3g4t h ARG 138 N -0.15 0.37 -0.01 0.81 2.43 -0.57 0.38 114.38 117.64 3g4t h ARG 138 Ca 0.02 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 3g4t h ARG 138 Cb 0.42 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3g4t h ARG 138 CO 0.01 0.25 -0.79 0.93 -1.51 0.00 0.00 179.97 178.86 3g4t h GLU 139 N 0.39 0.55 -0.36 0.20 4.39 -1.28 -1.96 114.58 116.51 3g4t h GLU 139 Ca 0.56 -0.58 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 3g4t h GLU 139 Cb 1.06 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3g4t h GLU 139 CO -0.53 1.20 -0.33 -0.09 -1.16 0.00 0.00 179.01 178.10 3g4t h ARG 140 N 0.14 0.86 -0.14 2.33 1.12 -0.82 -2.04 114.38 115.83 3g4t h ARG 140 Ca -0.10 -0.44 -0.01 0.00 -1.11 0.00 0.00 59.98 58.32 3g4t h ARG 140 Cb 1.47 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.43 3g4t h ARG 140 CO 0.16 1.09 0.03 -0.44 -3.11 0.00 0.00 179.97 177.69 3g4t h ASP 141 N 0.66 0.17 0.78 -3.80 3.32 -0.33 -1.26 116.42 115.96 3g4t h ASP 141 Ca 0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3g4t h ASP 141 Cb 0.91 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3g4t h ASP 141 CO 0.08 0.19 0.00 -1.54 -1.72 0.00 0.00 179.24 176.25 3g4t n SER 142 N -4.45 0.00 0.00 6.45 3.41 -0.74 -4.88 113.62 113.42 3g4t n SER 142 Ca -0.01 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3g4t n SER 142 Cb 0.13 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 0.87 1.09 3.82 5.00 0.00 -0.48 -5.09 105.19 110.41 3g4t n GLY 143 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 4.09 0.18 1.61 1.81 -0.78 -4.99 118.95 120.86 3g4t s ARG 144 Ca 0.00 0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 54.32 3g4t s ARG 144 Cb 0.00 -3.22 -0.08 0.00 -0.45 0.00 0.00 34.95 31.20 3g4t s ARG 144 CO 0.00 0.65 1.09 -0.80 -0.68 0.00 0.00 175.30 175.56 3g4t s ASN 145 N -1.12 7.29 -0.05 0.23 0.02 -1.26 -3.99 114.94 116.06 3g4t s ASN 145 Ca 0.27 2.08 0.05 0.00 -1.02 0.00 0.00 52.86 54.25 3g4t s ASN 145 Cb -0.18 -2.61 -0.01 0.00 0.02 0.00 0.00 41.25 38.48 3g4t s ASN 145 CO 0.17 -0.19 -0.21 0.68 0.02 0.00 0.00 177.10 177.57 3g4t s VAL 146 N -0.34 1.72 -0.10 1.60 -7.23 -1.26 -1.17 120.40 113.62 3g4t s VAL 146 Ca 0.48 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.79 3g4t s VAL 146 Cb -0.29 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3g4t s VAL 146 CO 0.35 0.49 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.84 3g4t s ILE 147 N -0.04 2.87 -0.20 -0.62 1.01 -0.05 -2.90 121.20 121.28 3g4t s ILE 147 Ca -0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3g4t s ILE 147 Cb -0.13 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.23 3g4t s ILE 147 CO 0.03 0.55 -0.04 -0.63 0.00 0.00 0.00 174.94 174.85 3g4t s ILE 148 N 0.01 1.24 0.43 2.92 1.09 0.16 0.70 121.20 127.74 3g4t s ILE 148 Ca -0.05 -0.88 0.06 0.00 -1.10 0.00 0.00 60.65 58.68 3g4t s ILE 148 Cb -0.14 -1.49 -0.07 0.00 -1.06 0.00 0.00 42.46 39.70 3g4t s ILE 148 CO 0.04 -0.00 0.02 0.00 -0.10 0.00 0.00 174.94 174.90 3g4t n GLY 150 N -1.03 0.79 3.48 0.00 0.00 -1.17 -1.97 105.19 105.28 3g4t n GLY 150 Ca -0.07 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.49 6.27 0.38 1.61 2.15 -0.89 -2.55 116.67 122.14 3g4t s ASP 151 Ca 0.00 -0.69 0.24 0.00 0.43 0.00 0.00 52.55 52.54 3g4t s ASP 151 Cb 0.00 -2.33 0.51 0.00 -0.30 0.00 0.00 42.92 40.80 3g4t s ASP 151 CO 0.00 -0.96 1.67 -0.26 -0.17 0.00 0.00 175.17 175.45 3g4t h PHE 152 N 9.05 0.00 -1.76 -5.34 -1.00 -0.70 -0.46 116.94 116.74 3g4t h PHE 152 Ca -0.27 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.17 3g4t h PHE 152 Cb 1.09 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.59 3g4t h PHE 152 CO 0.79 0.00 -0.38 0.09 -1.61 0.00 0.00 178.31 177.19 3g4t n ASN 153 N -2.87 -4.99 -3.69 2.17 3.02 -1.19 -4.78 115.26 102.93 3g4t n ASN 153 Ca 0.04 0.16 -0.11 0.00 -0.03 0.00 0.00 54.58 54.64 3g4t n ASN 153 Cb 0.49 -4.04 -0.10 0.00 -0.61 0.00 0.00 39.78 35.52 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 -2.75 -0.02 -0.06 3.41 2.01 -1.26 -4.30 115.64 112.67 3g4t s THR 154 Ca 0.00 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.87 3g4t s THR 154 Cb 0.00 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 3g4t s THR 154 CO 0.00 0.02 0.51 0.00 -0.69 0.00 0.00 174.62 174.47 3g4t s ALA 155 N 1.12 3.50 -0.13 7.40 0.00 -0.25 -4.48 121.76 128.92 3g4t s ALA 155 Ca -0.07 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 3g4t s ALA 155 Cb -0.07 -2.65 -0.20 0.00 0.00 0.00 0.00 23.12 20.20 3g4t s ALA 155 CO -0.10 0.12 0.61 1.25 0.00 0.00 0.00 175.76 177.64 3g4t h HIS 156 N 6.10 -0.00 -2.29 0.00 2.76 -1.87 -3.43 115.15 116.41 3g4t h HIS 156 Ca -0.44 -0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.18 3g4t h HIS 156 Cb 1.19 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 30.02 3g4t h HIS 156 CO 0.65 0.76 -0.66 1.03 -1.30 0.00 0.00 177.93 178.41 3g4t s ARG 157 N -2.12 1.71 0.40 5.26 0.52 -1.26 -4.82 118.95 118.64 3g4t s ARG 157 Ca -0.15 -1.90 0.06 0.00 -0.52 0.00 0.00 55.73 53.23 3g4t s ARG 157 Cb -0.02 -1.38 0.82 0.00 0.52 0.00 0.00 34.95 34.89 3g4t s ARG 157 CO 0.53 0.03 2.04 0.93 0.02 0.00 0.00 175.30 178.86 3g4t h GLU 158 N 2.10 0.60 0.00 3.54 5.08 -1.92 0.52 114.58 124.51 3g4t h GLU 158 Ca -0.41 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3g4t h GLU 158 Cb 1.24 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 3g4t h GLU 158 CO 0.71 0.40 -0.02 0.97 -1.00 0.00 0.00 179.01 180.06 3g4t h ILE 159 N 0.62 0.60 0.00 3.13 2.10 -1.99 -2.85 117.51 119.13 3g4t h ILE 159 Ca 0.18 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.02 3g4t h ILE 159 Cb -0.03 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 3g4t h ILE 159 CO -0.04 0.02 0.00 0.47 -1.08 0.00 0.00 178.15 177.52 3g4t n ASP 160 N -3.91 0.00 -3.96 2.19 8.00 0.18 -4.14 116.55 114.91 3g4t n ASP 160 Ca -0.03 0.46 -0.09 0.00 0.71 0.00 0.00 54.79 55.84 3g4t n ASP 160 Cb 0.11 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.62 3g4t n ASP 160 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3g4t s LEU 161 N -2.97 2.10 0.14 0.64 2.34 -1.07 -0.23 118.68 119.61 3g4t s LEU 161 Ca 0.13 -0.47 -0.14 0.00 0.06 0.00 0.00 54.13 53.71 3g4t s LEU 161 Cb 0.17 0.25 0.00 0.00 -0.56 0.00 0.00 46.19 46.05 3g4t s LEU 161 CO 0.46 -0.34 1.63 0.00 -1.06 0.00 0.00 176.35 177.04 3g4t h ALA 162 N 4.44 0.59 -2.10 1.48 0.00 -1.46 -3.36 119.26 118.84 3g4t h ALA 162 Ca -0.32 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 53.71 3g4t h ALA 162 Cb 1.20 -0.17 -0.38 0.00 0.00 0.00 0.00 17.79 18.45 3g4t h ALA 162 CO 0.43 0.30 -0.17 0.54 0.00 0.00 0.00 179.25 180.35 3g4t n ARG 163 N -4.49 3.14 0.09 0.00 5.12 -1.26 -4.93 116.66 114.34 3g4t n ARG 163 Ca 0.00 -4.64 -0.00 0.00 -1.93 0.00 0.00 57.85 51.28 3g4t n ARG 163 Cb 0.23 -2.34 0.29 0.00 -1.16 0.00 0.00 32.46 29.49 3g4t n ARG 163 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g4t h PRO 164 N 4.54 0.27 -0.00 5.56 0.13 -1.84 -3.12 132.00 137.54 3g4t h PRO 164 Ca 0.20 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 3g4t h PRO 164 Cb 0.64 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.76 3g4t h PRO 164 CO 0.99 0.52 -0.39 0.87 -0.23 0.00 0.00 178.00 179.77 3g4t h LYS 165 N 0.24 0.27 0.00 0.86 1.57 -1.96 -2.90 116.57 114.65 3g4t h LYS 165 Ca 0.04 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3g4t h LYS 165 Cb 0.61 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3g4t h LYS 165 CO 0.04 0.99 -0.03 0.93 -0.57 0.00 0.00 179.45 180.81 3g4t h GLU 166 N -0.33 0.00 -0.57 3.15 3.07 -2.00 -2.89 114.58 115.00 3g4t h GLU 166 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3g4t h GLU 166 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3g4t h GLU 166 CO 0.08 0.03 0.00 0.09 -1.40 0.00 0.00 179.01 177.81 3g4t n ASN 167 N -4.34 3.53 0.29 1.42 3.02 -1.18 -4.39 115.26 113.62 3g4t n ASN 167 Ca -0.03 -2.00 0.16 0.00 -0.03 0.00 0.00 54.58 52.69 3g4t n ASN 167 Cb 0.12 -0.38 0.90 0.00 -0.61 0.00 0.00 39.78 39.81 3g4t n ASN 167 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3g4t h SER 168 N 3.36 0.00 -0.05 6.41 0.02 -1.29 -0.41 113.55 121.59 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 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3g4t h SER 168 CO 0.00 0.04 0.00 -3.20 -1.14 0.00 0.00 176.83 172.53 3g4t n ASN 169 N -3.52 2.81 -4.77 3.07 5.15 -1.26 -4.37 115.26 112.38 3g4t n ASN 169 Ca -0.02 -1.89 -0.38 0.00 -0.60 0.00 0.00 54.58 51.69 3g4t n ASN 169 Cb 0.16 -0.02 -0.06 0.00 -0.53 0.00 0.00 39.78 39.33 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 -1.73 5.13 0.15 3.44 1.01 -0.16 -4.95 120.40 123.28 3g4t s VAL 170 Ca 0.26 0.88 -0.32 0.00 0.00 0.00 0.00 61.98 62.79 3g4t s VAL 170 Cb 0.18 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 3g4t s VAL 170 CO 0.27 0.43 1.76 -0.24 0.00 0.00 0.00 175.10 177.32 3g4t n SER 171 N 2.93 3.85 0.00 3.32 2.88 -1.26 -1.90 113.62 123.44 3g4t n SER 171 Ca -0.10 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 3g4t n SER 171 Cb 0.52 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 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 4.02 2.15 0.49 0.46 0.00 -1.26 -4.76 105.19 106.29 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 -0.04 0.00 -1.81 1.61 7.35 -0.80 -1.09 117.46 122.68 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 0.04 0.02 0.00 0.35 0.00 0.00 39.48 39.88 3g4t n PHE 173 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3g4t s LEU 174 N 0.00 4.10 0.30 -2.13 1.43 -1.10 -4.61 118.68 116.66 3g4t s LEU 174 Ca 0.00 2.90 0.04 0.00 -1.03 0.00 0.00 54.13 56.04 3g4t s LEU 174 Cb 0.00 -3.96 0.67 0.00 0.03 0.00 0.00 46.19 42.93 3g4t s LEU 174 CO 0.00 -1.19 1.80 1.55 0.23 0.00 0.00 176.35 178.74 3g4t h PRO 175 N 2.27 0.83 -0.66 1.29 0.13 -1.94 -1.65 132.00 132.27 3g4t h PRO 175 Ca -0.51 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 3g4t h PRO 175 Cb 1.27 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3g4t h PRO 175 CO 0.61 0.55 0.44 0.28 -0.23 0.00 0.00 178.00 179.64 3g4t h VAL 176 N 0.85 1.16 0.02 1.56 2.07 -1.97 -1.17 116.25 118.76 3g4t h VAL 176 Ca 0.55 -0.30 -0.25 0.00 0.82 0.00 0.00 66.70 67.52 3g4t h VAL 176 Cb 0.75 0.20 0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3g4t h VAL 176 CO -0.34 0.16 -0.99 -0.33 0.02 0.00 0.00 177.57 176.09 3g4t h GLU 177 N 0.88 0.64 -0.08 1.57 5.08 -1.70 -3.01 114.58 117.96 3g4t h GLU 177 Ca 0.24 -0.71 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 3g4t h GLU 177 Cb -0.08 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3g4t h GLU 177 CO -0.06 1.30 -0.50 0.00 -1.00 0.00 0.00 179.01 178.75 3g4t h ARG 178 N 0.29 0.22 -0.80 2.33 3.08 -1.15 -2.74 114.38 115.60 3g4t h ARG 178 Ca -0.13 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.81 3g4t h ARG 178 Cb 1.66 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.67 3g4t h ARG 178 CO 0.19 0.67 0.53 0.00 -1.07 0.00 0.00 179.97 180.30 3g4t h ALA 179 N 1.31 1.02 -0.60 0.04 0.00 -1.26 -1.71 119.26 118.06 3g4t h ALA 179 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3g4t h ALA 179 Cb 0.94 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3g4t h ALA 179 CO 0.08 0.43 0.12 2.35 0.00 0.00 0.00 179.25 182.22 3g4t h TRP 180 N 1.09 1.03 -0.65 0.00 7.01 -1.35 0.91 115.95 123.99 3g4t h TRP 180 Ca 0.29 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 3g4t h TRP 180 Cb -0.12 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.62 3g4t h TRP 180 CO -0.02 0.88 0.35 0.82 -2.79 0.00 0.00 178.44 177.69 3g4t h ILE 181 N 0.88 1.20 -0.07 2.65 2.04 -1.34 0.24 117.51 123.11 3g4t h ILE 181 Ca 0.18 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3g4t h ILE 181 Cb 0.39 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3g4t h ILE 181 CO 0.01 0.22 -0.32 0.44 0.00 0.00 0.00 178.15 178.50 3g4t h ASP 182 N 0.88 -0.97 -0.47 1.72 3.32 -0.62 -0.04 116.42 120.26 3g4t h ASP 182 Ca 0.23 0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.46 3g4t h ASP 182 Cb 0.04 0.40 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 3g4t h ASP 182 CO -0.04 -0.37 0.20 0.50 -1.72 0.00 0.00 179.24 177.82 3g4t h LYS 183 N -0.43 0.39 -0.07 3.56 3.64 -0.58 -0.87 116.57 122.21 3g4t h LYS 183 Ca 0.08 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3g4t h LYS 183 Cb 0.55 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 3g4t h LYS 183 CO -0.31 0.26 -0.32 0.35 -2.27 0.00 0.00 179.45 177.15 3g4t h PHE 184 N 0.40 -0.88 -0.73 1.91 3.57 0.12 -1.74 116.94 119.59 3g4t h PHE 184 Ca 0.21 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.81 3g4t h PHE 184 Cb 0.17 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 3g4t h PHE 184 CO -0.13 -0.40 0.43 0.82 -2.23 0.00 0.00 178.31 176.79 3g4t h ILE 185 N -0.43 0.99 -0.13 1.41 2.04 -0.74 -1.76 117.51 118.89 3g4t h ILE 185 Ca 0.08 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3g4t h ILE 185 Cb 0.55 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3g4t h ILE 185 CO -0.31 0.14 0.11 -0.33 0.00 0.00 0.00 178.15 177.76 3g4t h GLU 186 N 0.78 0.00 0.00 2.37 5.08 -0.56 -0.95 114.58 121.31 3g4t h GLU 186 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3g4t h GLU 186 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3g4t h GLU 186 CO -0.18 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.92 3g4t n ASN 187 N -4.23 0.00 0.00 1.42 3.02 -0.66 -4.82 115.26 109.99 3g4t n ASN 187 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3g4t n ASN 187 Cb 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3g4t n ASN 187 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g4t n GLY 188 N 0.41 1.00 3.09 7.41 0.00 -0.40 -5.03 105.19 111.67 3g4t n GLY 188 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 0.87 -0.04 1.61 1.51 -0.95 -1.47 117.35 116.88 3g4t s TYR 189 Ca 0.00 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.71 3g4t s TYR 189 Cb 0.00 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.33 3g4t s TYR 189 CO 0.00 -0.02 -0.22 0.08 -1.11 0.00 0.00 175.55 174.28 3g4t s VAL 190 N -1.07 1.78 -0.99 0.71 1.01 0.19 -4.40 120.40 117.62 3g4t s VAL 190 Ca -0.04 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 3g4t s VAL 190 Cb -0.08 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3g4t s VAL 190 CO 0.01 0.50 1.61 -0.62 0.00 0.00 0.00 175.10 176.61 3g4t s ASP 191 N -0.22 6.08 0.53 3.32 2.15 -1.26 -2.42 116.67 124.85 3g4t s ASP 191 Ca 0.00 -1.24 0.32 0.00 0.43 0.00 0.00 52.55 52.06 3g4t s ASP 191 Cb -0.12 -2.57 1.48 0.00 -0.30 0.00 0.00 42.92 41.42 3g4t s ASP 191 CO 0.02 -1.90 1.87 0.71 -0.17 0.00 0.00 175.17 175.71 3g4t h THR 192 N 6.90 0.53 -0.67 1.71 1.35 -1.62 0.24 112.91 121.35 3g4t h THR 192 Ca 0.18 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.96 3g4t h THR 192 Cb 1.00 0.51 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 3g4t h THR 192 CO 1.36 0.00 0.16 0.15 -0.25 0.00 0.00 175.52 176.95 3g4t h PHE 193 N 0.02 1.11 0.00 4.73 3.57 -1.80 -2.87 116.94 121.70 3g4t h PHE 193 Ca 0.45 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3g4t h PHE 193 Cb 1.78 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 3g4t h PHE 193 CO -0.00 0.91 -0.02 0.00 -2.23 0.00 0.00 178.31 176.97 3g4t h ARG 194 N 1.01 0.00 -0.39 1.11 2.47 -0.68 -1.93 114.38 115.98 3g4t h ARG 194 Ca 0.21 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.97 3g4t h ARG 194 Cb 0.36 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 3g4t h ARG 194 CO 0.00 0.02 0.26 0.52 0.56 0.00 0.00 179.97 181.33 3g4t h MET 195 N 0.00 0.35 0.00 0.04 2.86 -1.46 -3.33 114.93 113.39 3g4t h MET 195 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3g4t h MET 195 Cb 0.57 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3g4t h MET 195 CO 0.00 0.23 -0.98 1.19 1.06 0.00 0.00 176.91 178.41 3g4t n PHE 196 N -4.48 0.00 -3.70 -0.22 3.72 -0.89 -5.00 117.46 106.89 3g4t n PHE 196 Ca 0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 3g4t n PHE 196 Cb 0.19 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.38 0.11 0.00 4.37 3.84 -0.78 -5.01 114.94 115.09 3g4t s ASN 197 Ca -0.01 0.51 0.01 0.00 0.21 0.00 0.00 52.86 53.58 3g4t s ASN 197 Cb 0.04 0.48 0.02 0.00 -0.55 0.00 0.00 41.25 41.25 3g4t s ASN 197 CO 0.27 -0.20 0.90 -1.54 -2.79 0.00 0.00 177.10 173.73 3g4t n SER 198 N 4.78 1.83 -4.74 -4.21 3.41 -1.26 -4.23 113.62 109.21 3g4t n SER 198 Ca -0.16 -1.75 -0.35 0.00 -0.26 0.00 0.00 58.87 56.35 3g4t n SER 198 Cb 0.51 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.76 4.60 0.94 4.04 -0.00 -1.26 -5.07 116.67 119.16 3g4t s ASP 199 Ca 0.02 2.33 -0.14 0.00 -0.00 0.00 0.00 52.55 54.76 3g4t s ASP 199 Cb 0.01 -2.59 0.21 0.00 -0.00 0.00 0.00 42.92 40.55 3g4t s ASP 199 CO 0.01 -1.99 1.29 -2.16 -0.00 0.00 0.00 175.17 172.32 3g4t s PRO 200 N -3.76 0.63 -1.76 8.23 0.04 -1.26 -4.54 135.00 132.58 3g4t s PRO 200 Ca 0.75 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.17 3g4t s PRO 200 Cb -0.29 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3g4t s PRO 200 CO 0.41 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.49 3g4t n GLY 201 N -3.68 0.86 3.26 0.56 0.00 -1.26 -4.96 105.19 99.97 3g4t n GLY 201 Ca 0.16 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.11 2.61 0.28 1.61 -1.52 -1.26 -5.07 119.66 112.21 3g4t s GLN 202 Ca 0.00 -1.56 0.08 0.00 -1.95 0.00 0.00 55.36 51.93 3g4t s GLN 202 Cb 0.00 -3.88 -0.06 0.00 -0.22 0.00 0.00 33.01 28.85 3g4t s GLN 202 CO 0.00 -1.06 -0.09 0.71 -0.25 0.00 0.00 175.29 174.60 3g4t s TYR 203 N 1.43 2.05 0.00 0.91 4.12 -1.26 -4.50 117.35 120.10 3g4t s TYR 203 Ca 0.04 -0.61 0.00 0.00 0.02 0.00 0.00 57.07 56.52 3g4t s TYR 203 Cb -0.24 -1.12 0.00 0.00 -1.52 0.00 0.00 41.96 39.08 3g4t s TYR 203 CO 0.02 0.39 0.00 0.25 0.02 0.00 0.00 175.55 176.23 3g4t n THR 204 N -0.60 0.00 -4.65 -0.71 -2.24 0.77 -4.90 114.28 101.95 3g4t n THR 204 Ca -0.06 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 3g4t n THR 204 Cb 0.63 0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.45 1.29 -0.01 4.78 -0.00 -0.47 0.21 118.94 123.29 3g4t s TRP 205 Ca 0.00 -0.25 0.01 0.00 -0.00 0.00 0.00 56.10 55.86 3g4t s TRP 205 Cb 0.00 -0.82 0.01 0.00 -0.00 0.00 0.00 33.47 32.65 3g4t s TRP 205 CO 0.00 -0.02 -0.01 -1.58 -0.00 0.00 0.00 176.95 175.34 3g4t s TRP 206 N -0.37 0.23 0.42 5.86 0.51 -0.72 -1.31 118.94 123.56 3g4t s TRP 206 Ca 0.05 -0.02 -0.26 0.00 -2.12 0.00 0.00 56.10 53.76 3g4t s TRP 206 Cb -0.06 -0.22 -0.10 0.00 -0.81 0.00 0.00 33.47 32.28 3g4t s TRP 206 CO -0.00 -0.05 1.31 0.45 -0.51 0.00 0.00 176.95 178.15 3g4t n SER 207 N 3.42 2.75 -0.03 2.95 2.88 -1.26 -4.79 113.62 119.54 3g4t n SER 207 Ca -0.18 1.12 -0.17 0.00 -1.33 0.00 0.00 58.87 58.31 3g4t n SER 207 Cb 0.56 -1.53 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 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 2.16 1.04 -0.93 0.66 0.99 -1.99 -3.19 116.97 115.71 3g4t h TYR 208 Ca -0.48 -0.45 0.15 0.00 2.00 0.00 0.00 58.73 59.94 3g4t h TYR 208 Cb 1.29 -0.16 -0.09 0.00 1.00 0.00 0.00 36.73 38.76 3g4t h TYR 208 CO 0.48 1.28 0.55 0.00 -0.00 0.00 0.00 178.16 180.47 3g4t h ARG 209 N 0.51 0.77 -0.01 4.88 3.08 -2.05 -2.31 114.38 119.24 3g4t h ARG 209 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3g4t h ARG 209 Cb 1.35 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3g4t h ARG 209 CO 0.15 0.51 -0.33 0.25 -1.07 0.00 0.00 179.97 179.48 3g4t n THR 210 N -4.76 0.00 -3.82 2.04 -2.24 -1.26 -4.91 114.28 99.33 3g4t n THR 210 Ca 0.19 -0.16 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 3g4t n THR 210 Cb 0.43 0.63 0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.50 -5.23 0.24 -0.78 3.00 -0.87 -4.90 116.66 107.62 3g4t n ARG 211 Ca 0.11 0.60 0.11 0.00 -0.01 0.00 0.00 57.85 58.67 3g4t n ARG 211 Cb 0.38 -5.33 0.57 0.00 0.00 0.00 0.00 32.46 28.08 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 0.92 1.11 -0.56 7.54 0.00 -1.80 -3.24 119.26 123.23 3g4t h ALA 212 Ca -0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 3g4t h ALA 212 Cb 1.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3g4t h ALA 212 CO 0.62 0.23 0.18 -0.09 0.00 0.00 0.00 179.25 180.19 3g4t h ARG 213 N 0.00 0.84 -0.01 0.00 2.43 -1.87 0.37 114.38 116.15 3g4t h ARG 213 Ca -0.00 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 58.86 3g4t h ARG 213 Cb 0.58 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3g4t h ARG 213 CO 0.02 0.73 -0.73 1.05 -1.51 0.00 0.00 179.97 179.53 3g4t h GLU 214 N 0.82 0.06 0.00 0.20 4.11 -1.96 -2.36 114.58 115.45 3g4t h GLU 214 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3g4t h GLU 214 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3g4t h GLU 214 CO -0.01 0.76 0.00 0.54 0.07 0.00 0.00 179.01 180.38 3g4t n ARG 215 N -3.70 0.12 -2.96 1.06 1.74 -0.92 -4.95 116.66 107.05 3g4t n ARG 215 Ca -0.01 0.16 -0.19 0.00 -0.77 0.00 0.00 57.85 57.03 3g4t n ARG 215 Cb 0.71 -1.66 0.03 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.87 -5.47 -4.31 0.55 5.15 0.12 -4.95 115.26 104.47 3g4t n ASN 216 Ca 0.05 -0.27 -0.44 0.00 -0.60 0.00 0.00 54.58 53.33 3g4t n ASN 216 Cb 0.34 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 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 -4.36 4.50 -4.16 3.44 0.31 -0.48 -4.90 118.33 112.68 3g4t n VAL 217 Ca -0.09 -5.08 -0.10 0.00 -0.01 0.00 0.00 64.34 59.07 3g4t n VAL 217 Cb 0.60 -2.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.04 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 3.12 3.90 3.13 2.92 0.00 -1.26 -4.54 105.19 112.46 3g4t n GLY 218 Ca 0.31 -2.25 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.47 0.80 -0.40 1.61 0.52 -0.43 -1.30 118.94 118.27 3g4t s TRP 219 Ca 0.01 -0.76 -0.14 0.00 0.02 0.00 0.00 56.10 55.23 3g4t s TRP 219 Cb -0.00 -0.47 0.02 0.00 -1.15 0.00 0.00 33.47 31.87 3g4t s TRP 219 CO 0.01 -0.13 0.27 0.50 0.02 0.00 0.00 176.95 177.62 3g4t s ARG 220 N -2.96 2.96 -0.00 4.98 3.52 0.68 -0.16 118.95 127.96 3g4t s ARG 220 Ca 0.03 -1.02 0.03 0.00 -0.13 0.00 0.00 55.73 54.65 3g4t s ARG 220 Cb -0.01 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 3g4t s ARG 220 CO -0.03 -0.72 0.14 1.28 -0.81 0.00 0.00 175.30 175.16 3g4t n LEU 221 N 5.12 0.15 -4.28 -0.88 4.77 -1.26 -3.76 117.00 116.86 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 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 3g4t n LEU 221 CO 0.40 0.04 -0.47 -1.81 -1.33 0.00 0.00 177.39 174.21 3g4t s ASP 222 N -1.40 3.72 0.06 -1.43 1.01 -1.26 0.02 116.67 117.38 3g4t s ASP 222 Ca 0.01 -0.45 0.03 0.00 0.71 0.00 0.00 52.55 52.85 3g4t s ASP 222 Cb 0.03 -1.57 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 3g4t s ASP 222 CO 0.14 0.09 -0.10 -0.31 0.21 0.00 0.00 175.17 175.21 3g4t s TYR 223 N 0.76 0.85 -0.24 4.23 1.51 -1.06 -4.97 117.35 118.44 3g4t s TYR 223 Ca -0.06 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.41 3g4t s TYR 223 Cb -0.15 -0.49 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 3g4t s TYR 223 CO 0.01 -0.04 0.06 -0.06 -1.11 0.00 0.00 175.55 174.41 3g4t s PHE 224 N -1.53 3.10 0.02 2.71 0.40 -1.26 -3.02 117.98 118.40 3g4t s PHE 224 Ca -0.06 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 3g4t s PHE 224 Cb -0.09 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 3g4t s PHE 224 CO 0.01 -0.30 -0.12 -0.06 0.70 0.00 0.00 175.22 175.45 3g4t s PHE 225 N 1.44 2.73 0.13 0.36 0.40 0.10 -1.43 117.98 121.72 3g4t s PHE 225 Ca 0.05 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 3g4t s PHE 225 Cb -0.15 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 3g4t s PHE 225 CO 0.03 0.32 -0.13 0.14 0.70 0.00 0.00 175.22 176.28 3g4t s VAL 226 N -0.97 1.30 0.52 -0.44 -7.23 -1.02 -0.66 120.40 111.90 3g4t s VAL 226 Ca 0.16 -1.78 -0.22 0.00 -1.81 0.00 0.00 61.98 58.34 3g4t s VAL 226 Cb -0.11 -1.58 -0.06 0.00 0.56 0.00 0.00 36.38 35.19 3g4t s VAL 226 CO 0.07 -0.48 1.23 0.54 -0.31 0.00 0.00 175.10 176.15 3g4t s ASN 227 N -2.59 5.69 0.34 4.85 6.03 -1.14 -0.64 114.94 127.48 3g4t s ASN 227 Ca 0.10 2.45 0.03 0.00 -1.03 0.00 0.00 52.86 54.41 3g4t s ASN 227 Cb -0.04 -2.61 0.60 0.00 -3.03 0.00 0.00 41.25 36.17 3g4t s ASN 227 CO 0.03 -1.26 1.91 1.05 -2.03 0.00 0.00 177.10 176.80 3g4t h GLU 228 N 1.60 0.64 -0.80 3.55 4.11 -1.61 -1.55 114.58 120.53 3g4t h GLU 228 Ca -0.50 -0.10 0.23 0.00 0.07 0.00 0.00 59.36 59.06 3g4t h GLU 228 Cb 1.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 3g4t h GLU 228 CO 0.58 0.57 0.61 0.93 0.07 0.00 0.00 179.01 181.77 3g4t h GLU 229 N 0.63 0.00 0.00 1.06 3.07 -1.93 -0.29 114.58 117.12 3g4t h GLU 229 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3g4t h GLU 229 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3g4t h GLU 229 CO -0.01 0.00 -0.99 0.34 -1.40 0.00 0.00 179.01 176.96 3g4t n PHE 230 N -4.17 0.10 -0.37 4.33 7.35 -0.60 -4.37 117.46 119.73 3g4t n PHE 230 Ca 0.16 0.03 0.32 0.00 -0.76 0.00 0.00 57.45 57.20 3g4t n PHE 230 Cb 0.90 -0.24 0.65 0.00 0.35 0.00 0.00 39.48 41.13 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 0.16 -0.99 -4.13 3.64 -0.85 0.19 116.57 114.59 3g4t h LYS 231 Ca 0.00 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 3g4t h LYS 231 Cb 0.62 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 3g4t h LYS 231 CO 0.00 0.11 0.62 0.78 -2.27 0.00 0.00 179.45 178.68 3g4t h GLY 232 N 0.16 1.62 2.00 5.01 0.00 -1.76 -2.79 103.07 107.31 3g4t h GLY 232 Ca 0.64 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3g4t h GLY 232 CO -0.19 0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.64 3g4t n LYS 233 N -4.69 0.22 -2.70 4.80 4.76 0.67 -4.76 118.16 116.46 3g4t n LYS 233 Ca 0.22 0.19 -0.43 0.00 -2.87 0.00 0.00 58.31 55.41 3g4t n LYS 233 Cb 0.53 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 3g4t n LYS 233 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3g4t s VAL 234 N -3.09 4.42 -0.12 -0.18 0.11 -1.06 -0.01 120.40 120.47 3g4t s VAL 234 Ca 0.11 1.24 0.17 0.00 -2.93 0.00 0.00 61.98 60.58 3g4t s VAL 234 Cb 0.13 -4.46 -0.19 0.00 -1.53 0.00 0.00 36.38 30.34 3g4t s VAL 234 CO 0.58 -0.74 0.63 0.29 -3.33 0.00 0.00 175.10 172.54 3g4t n LYS 235 N 7.22 0.64 -3.70 1.54 4.01 -0.34 -4.98 118.16 122.55 3g4t n LYS 235 Ca 0.10 0.13 -0.14 0.00 -0.51 0.00 0.00 58.31 57.88 3g4t n LYS 235 Cb 0.48 -1.72 -0.08 0.00 -0.51 0.00 0.00 35.03 33.20 3g4t n LYS 235 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3g4t s ARG 236 N -2.90 0.75 -0.29 1.97 3.52 -1.13 -4.98 118.95 115.89 3g4t s ARG 236 Ca -0.05 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3g4t s ARG 236 Cb 0.09 0.34 0.17 0.00 -1.56 0.00 0.00 34.95 33.98 3g4t s ARG 236 CO 0.83 -0.21 0.45 0.45 -0.81 0.00 0.00 175.30 176.01 3g4t s SER 237 N -1.17 -0.05 0.27 -2.12 0.15 -1.26 -1.30 113.70 108.21 3g4t s SER 237 Ca -0.12 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.38 3g4t s SER 237 Cb -0.04 1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 65.53 3g4t s SER 237 CO 0.05 -0.34 0.07 -1.66 1.20 0.00 0.00 173.24 172.57 3g4t s TRP 238 N 2.61 1.63 -0.27 3.44 -2.14 -0.47 -4.56 118.94 119.18 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 -0.12 -0.99 0.01 0.00 -3.10 0.00 0.00 33.47 29.27 3g4t s TRP 238 CO -0.28 -0.21 0.03 0.42 -2.66 0.00 0.00 176.95 174.26 3g4t s ILE 239 N -3.60 3.67 -1.52 0.66 1.01 -1.26 -0.53 121.20 119.63 3g4t s ILE 239 Ca 0.36 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 3g4t s ILE 239 Cb 0.08 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 3g4t s ILE 239 CO 0.13 0.17 2.57 0.18 0.00 0.00 0.00 174.94 177.99 3g4t n LEU 240 N 4.82 7.87 0.00 2.97 4.32 -0.50 -4.72 117.00 131.75 3g4t n LEU 240 Ca -0.16 -4.35 0.14 0.00 -0.02 0.00 0.00 56.01 51.62 3g4t n LEU 240 Cb 0.48 -1.57 0.81 0.00 -1.62 0.00 0.00 43.42 41.52 3g4t n LEU 240 CO 0.30 1.68 0.99 -1.54 -1.22 0.00 0.00 177.39 177.60 3g4t n SER 241 N 4.34 0.00 0.08 -1.43 3.41 -1.26 -2.72 113.62 116.04 3g4t n SER 241 Ca 0.65 -0.76 0.12 0.00 -0.26 0.00 0.00 58.87 58.62 3g4t n SER 241 Cb 0.30 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.26 3g4t n SER 241 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3g4t n ASP 242 N -1.04 0.75 -4.64 4.04 3.85 -1.26 -4.86 116.55 113.39 3g4t n ASP 242 Ca 0.20 0.18 -0.41 0.00 -0.71 0.00 0.00 54.79 54.05 3g4t n ASP 242 Cb 0.11 0.44 -0.06 0.00 -1.35 0.00 0.00 41.12 40.27 3g4t n ASP 242 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3g4t s VAL 243 N -3.28 4.97 0.70 2.12 -7.23 -1.10 -5.06 120.40 111.52 3g4t s VAL 243 Ca 0.02 1.23 0.02 0.00 -1.81 0.00 0.00 61.98 61.44 3g4t s VAL 243 Cb 0.12 -3.97 0.13 0.00 0.56 0.00 0.00 36.38 33.21 3g4t s VAL 243 CO 0.77 0.03 0.96 -0.04 -0.31 0.00 0.00 175.10 176.52 3g4t s MET 244 N 2.40 1.75 0.00 4.82 -1.94 -1.26 -4.69 119.30 120.38 3g4t s MET 244 Ca 0.28 -1.31 0.00 0.00 -1.71 0.00 0.00 55.69 52.95 3g4t s MET 244 Cb -0.16 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.28 3g4t s MET 244 CO 0.09 -1.37 0.00 0.41 -0.01 0.00 0.00 175.02 174.14 3g4t n GLY 245 N -2.72 1.10 3.43 -0.03 0.00 -1.26 -5.06 105.19 100.65 3g4t n GLY 245 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.04 -0.17 0.44 1.61 0.15 -1.26 -4.60 113.70 108.82 3g4t s SER 246 Ca 0.00 -0.54 0.28 0.00 0.70 0.00 0.00 55.95 56.39 3g4t s SER 246 Cb 0.00 0.52 0.94 0.00 -1.71 0.00 0.00 66.02 65.76 3g4t s SER 246 CO 0.00 -0.97 1.81 -2.24 1.20 0.00 0.00 173.24 173.04 3g4t h ASP 247 N 2.33 0.00 -2.34 5.45 2.03 -1.86 -3.43 116.42 118.59 3g4t h ASP 247 Ca -0.31 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.50 3g4t h ASP 247 Cb 1.25 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.73 3g4t h ASP 247 CO 0.42 0.00 -0.45 -1.00 -1.03 0.00 0.00 179.24 177.18 3g4t s HIS 248 N -3.41 3.45 0.30 4.15 3.76 -1.26 -1.76 115.29 120.51 3g4t s HIS 248 Ca 0.04 0.03 0.07 0.00 -0.15 0.00 0.00 55.06 55.06 3g4t s HIS 248 Cb 0.08 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 3g4t s HIS 248 CO 0.57 0.47 0.24 0.00 -0.85 0.00 0.00 174.74 175.17 3g4t s PRO 250 N -3.92 3.74 0.25 0.00 0.04 -1.26 -4.60 135.00 129.26 3g4t s PRO 250 Ca 0.37 1.18 0.11 0.00 0.04 0.00 0.00 61.00 62.70 3g4t s PRO 250 Cb -0.07 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3g4t s PRO 250 CO 0.26 -0.46 -0.13 0.96 0.04 0.00 0.00 177.00 177.66 3g4t s ILE 251 N -2.32 2.84 0.03 0.56 -4.36 0.45 -1.42 121.20 116.98 3g4t s ILE 251 Ca 0.63 -2.13 0.04 0.00 -0.26 0.00 0.00 60.65 58.93 3g4t s ILE 251 Cb -0.14 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 3g4t s ILE 251 CO 0.27 -0.33 -0.11 -0.83 0.24 0.00 0.00 174.94 174.19 3g4t s GLY 252 N -3.39 0.61 -0.02 6.27 0.00 0.31 -1.02 107.32 110.08 3g4t s GLY 252 Ca 0.29 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.34 3g4t s GLY 252 CO 0.16 -0.66 -0.03 -2.27 0.00 0.00 0.00 173.10 170.30 3g4t s LEU 253 N -0.97 1.56 -0.10 0.66 2.96 -0.05 -1.36 118.68 121.36 3g4t s LEU 253 Ca -0.01 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3g4t s LEU 253 Cb -0.07 -0.28 -0.00 0.00 0.50 0.00 0.00 46.19 46.33 3g4t s LEU 253 CO 0.01 -0.02 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.19 3g4t s GLU 254 N 0.52 3.10 0.22 1.98 2.02 -0.42 -1.02 118.70 125.09 3g4t s GLU 254 Ca -0.06 -0.83 0.10 0.00 0.02 0.00 0.00 54.97 54.20 3g4t s GLU 254 Cb -0.09 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 3g4t s GLU 254 CO -0.01 0.20 -0.20 0.96 0.02 0.00 0.00 175.26 176.24 3g4t s ILE 255 N 0.31 2.15 0.00 -1.63 -4.36 -0.48 -1.19 121.20 116.00 3g4t s ILE 255 Ca -0.16 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.07 3g4t s ILE 255 Cb -0.17 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.44 3g4t s ILE 255 CO 0.08 -0.34 0.00 -0.62 0.24 0.00 0.00 174.94 174.30