#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s LYS 2 N 0.00 3.08 -0.01 4.33 -0.14 -1.26 -4.99 119.74 120.76 3g6e s LYS 2 Ca 0.00 1.41 0.04 0.00 -1.36 0.00 0.00 55.97 56.06 3g6e s LYS 2 Cb 0.00 -1.99 -0.06 0.00 -1.68 0.00 0.00 37.83 34.10 3g6e s LYS 2 CO 0.00 -1.03 0.08 -2.37 -0.76 0.00 0.00 175.35 171.27 3g6e n THR 3 N -2.00 0.02 -2.54 2.17 5.66 -1.26 -4.99 114.28 111.34 3g6e n THR 3 Ca 0.10 -0.10 -0.43 0.00 -3.05 0.00 0.00 64.05 60.58 3g6e n THR 3 Cb 0.52 0.28 -0.02 0.00 -1.55 0.00 0.00 70.33 69.56 3g6e n THR 3 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3g6e s ASN 4 N -2.55 7.10 0.30 1.09 3.84 -1.26 -4.95 114.94 118.52 3g6e s ASN 4 Ca -0.01 1.67 0.14 0.00 0.21 0.00 0.00 52.86 54.86 3g6e s ASN 4 Cb 0.02 -2.55 0.42 0.00 -0.55 0.00 0.00 41.25 38.59 3g6e s ASN 4 CO 0.16 -0.58 1.62 -0.65 -2.79 0.00 0.00 177.10 174.87 3g6e h PRO 5 N 7.44 0.00 -0.10 0.43 0.11 -1.99 -2.88 132.00 135.02 3g6e h PRO 5 Ca -0.31 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.61 3g6e h PRO 5 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3g6e h PRO 5 CO 0.90 0.54 -0.75 0.00 -0.21 0.00 0.00 178.00 178.47 3g6e h ARG 6 N 0.00 0.51 -0.10 1.05 3.08 -1.99 -2.06 114.38 114.87 3g6e h ARG 6 Ca -0.01 -0.42 -0.16 0.00 0.07 0.00 0.00 59.98 59.46 3g6e h ARG 6 Cb 1.10 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3g6e h ARG 6 CO 0.07 1.05 -0.62 1.25 -1.07 0.00 0.00 179.97 180.66 3g6e h LEU 7 N 0.35 0.41 -0.97 3.04 5.85 -1.98 -1.17 115.31 120.84 3g6e h LEU 7 Ca -0.04 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 3g6e h LEU 7 Cb 1.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3g6e h LEU 7 CO 0.14 0.93 -0.25 0.28 -0.34 0.00 0.00 178.44 179.19 3g6e h SER 8 N 0.27 0.44 -0.04 1.25 0.02 -1.42 -1.91 113.55 112.16 3g6e h SER 8 Ca -0.01 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.63 3g6e h SER 8 Cb 1.15 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.58 3g6e h SER 8 CO 0.10 0.69 -0.62 0.28 -1.14 0.00 0.00 176.83 176.15 3g6e h SER 9 N 0.39 0.62 -0.70 3.07 0.02 -1.18 -2.68 113.55 113.09 3g6e h SER 9 Ca 0.06 -0.71 0.03 0.00 -0.84 0.00 0.00 61.79 60.33 3g6e h SER 9 Cb 0.66 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3g6e h SER 9 CO 0.05 1.24 0.44 0.25 -1.14 0.00 0.00 176.83 177.67 3g6e h LEU 10 N 0.06 0.74 -0.76 5.07 5.85 -1.05 0.11 115.31 125.32 3g6e h LEU 10 Ca -0.06 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3g6e h LEU 10 Cb 1.30 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3g6e h LEU 10 CO 0.12 0.51 0.14 0.40 -0.34 0.00 0.00 178.44 179.27 3g6e h ILE 11 N 0.87 1.26 -0.17 4.05 2.04 -1.40 0.56 117.51 124.72 3g6e h ILE 11 Ca 0.28 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 3g6e h ILE 11 Cb 0.00 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3g6e h ILE 11 CO -0.10 0.37 -0.44 0.00 0.00 0.00 0.00 178.15 177.98 3g6e h ALA 12 N 1.13 0.93 -0.01 1.87 0.00 -1.00 -2.00 119.26 120.19 3g6e h ALA 12 Ca 0.21 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3g6e h ALA 12 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3g6e h ALA 12 CO 0.01 0.64 -0.83 -0.44 0.00 0.00 0.00 179.25 178.63 3g6e h ASP 13 N 0.33 0.22 0.25 0.00 3.32 -0.33 -1.73 116.42 118.49 3g6e h ASP 13 Ca 0.02 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 3g6e h ASP 13 Cb 0.91 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3g6e h ASP 13 CO 0.08 0.95 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.94 3g6e h LEU 14 N 0.10 0.35 -0.09 1.55 3.38 -0.74 -2.73 115.31 117.13 3g6e h LEU 14 Ca -0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3g6e h LEU 14 Cb 1.43 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3g6e h LEU 14 CO 0.12 0.82 -0.27 0.11 0.09 0.00 0.00 178.44 179.31 3g6e h LYS 15 N 0.24 0.34 -0.33 1.13 1.57 -1.26 -2.70 116.57 115.57 3g6e h LYS 15 Ca 0.00 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3g6e h LYS 15 Cb 1.03 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 3g6e h LYS 15 CO 0.09 0.87 0.22 1.03 -0.57 0.00 0.00 179.45 181.09 3g6e h SER 16 N -0.12 0.26 0.69 0.86 0.87 -1.30 -1.78 113.55 113.04 3g6e h SER 16 Ca -0.01 -0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 3g6e h SER 16 Cb 0.89 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 3g6e h SER 16 CO 0.06 0.18 -1.15 0.00 -0.53 0.00 0.00 176.83 175.39 3g6e h ALA 17 N 1.81 0.20 0.00 6.23 0.00 -1.49 -2.53 119.26 123.48 3g6e h ALA 17 Ca 0.14 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 3g6e h ALA 17 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3g6e h ALA 17 CO -0.03 1.02 -0.47 0.00 0.00 0.00 0.00 179.25 179.77 3g6e h ALA 18 N 0.71 0.76 0.12 0.00 0.00 -1.04 -2.07 119.26 117.74 3g6e h ALA 18 Ca -0.10 -0.43 -0.34 0.00 0.00 0.00 0.00 54.91 54.04 3g6e h ALA 18 Cb 1.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3g6e h ALA 18 CO 0.18 0.59 -1.79 0.00 0.00 0.00 0.00 179.25 178.24 3g6e h ARG 19 N 0.00 0.25 0.00 0.00 3.08 -1.43 -3.39 114.38 112.89 3g6e h ARG 19 Ca -0.00 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 3g6e h ARG 19 Cb 1.24 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 3g6e h ARG 19 CO 0.06 1.10 -0.04 0.77 -1.07 0.00 0.00 179.97 180.79 3g6e h SER 20 N 0.07 0.00 -3.74 7.04 0.02 -1.53 -3.48 113.55 111.92 3g6e h SER 20 Ca -0.34 -0.10 -0.46 0.00 -0.84 0.00 0.00 61.79 60.06 3g6e h SER 20 Cb 2.04 0.00 0.08 0.00 0.14 0.00 0.00 62.40 64.66 3g6e h SER 20 CO 0.12 0.57 0.22 -0.44 -1.14 0.00 0.00 176.83 176.17 3g6e s SER 21 N -5.63 4.88 -0.79 3.07 0.01 -0.78 -4.96 113.70 109.49 3g6e s SER 21 Ca -0.03 0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.63 3g6e s SER 21 Cb -0.00 -1.15 -0.15 0.00 0.21 0.00 0.00 66.02 64.93 3g6e s SER 21 CO 0.08 -1.56 2.99 0.61 0.41 0.00 0.00 173.24 175.78 3g6e n GLY 22 N -2.89 3.43 3.31 3.44 0.00 -1.26 -4.63 105.19 106.58 3g6e n GLY 22 Ca 0.08 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 3g6e n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6e s GLY 23 N 2.32 1.30 0.00 -0.02 0.00 -1.23 -4.76 107.32 104.93 3g6e s GLY 23 Ca 0.61 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3g6e s GLY 23 CO -0.03 -1.45 0.00 0.00 0.00 0.00 0.00 173.10 171.62 3g6e n ALA 24 N 0.47 1.50 -0.04 3.20 0.00 -1.26 -4.65 120.51 119.73 3g6e n ALA 24 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3g6e n ALA 24 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 3g6e n ALA 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g6e h VAL 25 N 0.00 1.36 0.00 0.00 2.07 -1.91 -2.57 116.25 115.21 3g6e h VAL 25 Ca 0.00 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3g6e h VAL 25 Cb 0.00 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3g6e h VAL 25 CO 0.00 0.36 -0.10 -0.50 0.02 0.00 0.00 177.57 177.36 3g6e h TRP 26 N -0.17 0.00 0.00 1.57 -0.00 -1.87 0.23 115.95 115.72 3g6e h TRP 26 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.77 3g6e h TRP 26 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.77 3g6e h TRP 26 CO 0.09 0.10 -1.03 0.78 -0.00 0.00 0.00 178.44 178.37 3g6e h GLY 27 N 1.36 0.00 1.62 1.49 0.00 -1.70 -2.59 103.07 103.25 3g6e h GLY 27 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3g6e h GLY 27 CO 0.01 0.00 -1.09 -1.80 0.00 0.00 0.00 176.54 173.66 3g6e h ASP 28 N 0.00 0.44 0.36 0.19 3.58 -0.97 -2.51 116.42 117.50 3g6e h ASP 28 Ca -0.09 -0.42 -0.21 0.00 0.42 0.00 0.00 57.03 56.73 3g6e h ASP 28 Cb 1.46 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 3g6e h ASP 28 CO 0.05 1.27 -0.88 0.58 -2.88 0.00 0.00 179.24 177.38 3g6e h VAL 29 N 0.13 1.41 -0.41 2.25 2.07 -1.04 -3.02 116.25 117.64 3g6e h VAL 29 Ca -0.10 -2.40 -0.08 0.00 0.82 0.00 0.00 66.70 64.93 3g6e h VAL 29 Cb 1.78 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.89 3g6e h VAL 29 CO 0.18 0.72 -0.07 0.00 0.02 0.00 0.00 177.57 178.41 3g6e h ALA 30 N 0.82 1.11 0.00 1.67 0.00 -1.44 -1.35 119.26 120.06 3g6e h ALA 30 Ca -0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3g6e h ALA 30 Cb 1.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3g6e h ALA 30 CO 0.15 0.56 -0.48 0.93 0.00 0.00 0.00 179.25 180.41 3g6e h GLU 31 N 0.64 0.00 0.00 0.00 5.08 -1.43 -1.75 114.58 117.13 3g6e h GLU 31 Ca 0.12 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 3g6e h GLU 31 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3g6e h GLU 31 CO 0.03 0.48 -1.06 -0.09 -1.00 0.00 0.00 179.01 177.37 3g6e h ARG 32 N 0.00 0.00 0.00 2.33 9.65 -1.34 -3.19 114.38 121.84 3g6e h ARG 32 Ca -0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 3g6e h ARG 32 Cb 0.90 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 3g6e h ARG 32 CO 0.06 0.72 -0.33 -0.07 2.80 0.00 0.00 179.97 183.15 3g6e h LEU 33 N 0.00 0.00 -0.20 3.80 3.38 -1.00 -3.03 115.31 118.25 3g6e h LEU 33 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3g6e h LEU 33 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3g6e h LEU 33 CO 0.10 0.33 0.00 -0.33 0.09 0.00 0.00 178.44 178.63 3g6e h GLU 34 N 0.00 0.00 -7.40 1.13 5.08 -1.37 -3.45 114.58 108.56 3g6e h GLU 34 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.86 3g6e h GLU 34 Cb 1.19 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.54 3g6e h GLU 34 CO 0.04 0.00 0.36 0.15 -1.00 0.00 0.00 179.01 178.56 3g6e s LYS 35 N -3.26 2.48 0.71 2.33 1.02 -1.15 -5.00 119.74 116.87 3g6e s LYS 35 Ca 0.07 0.68 -0.16 0.00 0.02 0.00 0.00 55.97 56.58 3g6e s LYS 35 Cb 0.06 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 3g6e s LYS 35 CO 0.64 -1.36 0.87 -2.30 -0.92 0.00 0.00 175.35 172.28 3g6e n PRO 36 N -3.26 0.50 -0.05 -1.68 -0.02 -1.26 -4.88 135.00 124.34 3g6e n PRO 36 Ca 0.07 0.22 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 3g6e n PRO 36 Cb 0.56 -2.12 0.50 0.00 -0.02 0.00 0.00 33.50 32.41 3g6e n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6e h ARG 37 N -0.20 0.40 0.00 -0.52 3.08 -1.93 -1.67 114.38 113.54 3g6e h ARG 37 Ca -0.47 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.51 3g6e h ARG 37 Cb 1.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3g6e h ARG 37 CO 0.46 0.26 -0.20 0.07 -1.07 0.00 0.00 179.97 179.49 3g6e h ARG 38 N 0.41 0.00 0.00 0.04 0.11 -2.00 -2.35 114.38 110.59 3g6e h ARG 38 Ca 0.24 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.25 3g6e h ARG 38 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 3g6e h ARG 38 CO -0.06 0.20 -0.40 1.79 0.10 0.00 0.00 179.97 181.60 3g6e h THR 39 N 0.00 0.60 -4.15 0.08 1.35 -1.66 -3.47 112.91 105.67 3g6e h THR 39 Ca -0.00 -1.85 -0.54 0.00 -0.55 0.00 0.00 66.41 63.47 3g6e h THR 39 Cb 0.48 2.28 0.19 0.00 -1.73 0.00 0.00 68.15 69.37 3g6e h THR 39 CO 0.03 0.34 0.27 1.41 -0.25 0.00 0.00 175.52 177.32 3g6e n HIS 40 N -3.17 1.10 -2.67 4.73 8.25 -0.88 -4.96 115.22 117.61 3g6e n HIS 40 Ca 0.02 0.40 -0.41 0.00 -0.26 0.00 0.00 57.72 57.47 3g6e n HIS 40 Cb 0.68 -2.08 -0.05 0.00 1.12 0.00 0.00 29.99 29.66 3g6e n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g6e s ALA 41 N -2.17 3.30 -0.50 -1.41 0.00 -1.26 -4.95 121.76 114.77 3g6e s ALA 41 Ca 0.72 0.66 0.03 0.00 0.00 0.00 0.00 51.96 53.37 3g6e s ALA 41 Cb -0.29 -3.28 0.15 0.00 0.00 0.00 0.00 23.12 19.70 3g6e s ALA 41 CO 0.52 -0.02 0.32 -1.21 0.00 0.00 0.00 175.76 175.37 3g6e s GLU 42 N -0.40 1.56 -0.19 0.00 2.02 -1.26 0.11 118.70 120.55 3g6e s GLU 42 Ca 0.46 -2.39 -0.08 0.00 0.02 0.00 0.00 54.97 52.98 3g6e s GLU 42 Cb -0.26 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 3g6e s GLU 42 CO 0.32 -1.22 0.08 0.08 0.02 0.00 0.00 175.26 174.53 3g6e s VAL 43 N -0.18 4.96 0.58 2.63 1.01 -0.58 -4.95 120.40 123.87 3g6e s VAL 43 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 3g6e s VAL 43 Cb -0.15 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.02 3g6e s VAL 43 CO -0.07 0.46 0.83 0.20 0.00 0.00 0.00 175.10 176.51 3g6e s ASN 44 N 0.36 5.28 0.27 3.32 0.01 -1.26 0.36 114.94 123.27 3g6e s ASN 44 Ca 0.04 0.21 0.03 0.00 -0.71 0.00 0.00 52.86 52.43 3g6e s ASN 44 Cb -0.12 -1.10 0.39 0.00 0.41 0.00 0.00 41.25 40.83 3g6e s ASN 44 CO -0.01 -1.18 1.70 -0.07 -1.51 0.00 0.00 177.10 176.03 3g6e h LEU 45 N -0.06 0.46 -1.72 0.60 3.38 -1.06 -3.04 115.31 113.85 3g6e h LEU 45 Ca -0.44 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3g6e h LEU 45 Cb 1.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3g6e h LEU 45 CO 0.56 0.74 0.00 1.23 0.09 0.00 0.00 178.44 181.06 3g6e h GLY 46 N 1.06 0.00 0.80 0.83 0.00 -1.71 -1.10 103.07 102.94 3g6e h GLY 46 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.06 3g6e h GLY 46 CO 0.06 0.00 -1.85 -2.13 0.00 0.00 0.00 176.54 172.62 3g6e n ARG 47 N -2.42 0.68 0.11 4.80 0.63 -1.15 -3.33 116.66 115.98 3g6e n ARG 47 Ca -0.02 0.28 -0.03 0.00 -0.92 0.00 0.00 57.85 57.16 3g6e n ARG 47 Cb 0.05 -1.75 0.14 0.00 0.45 0.00 0.00 32.46 31.35 3g6e n ARG 47 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3g6e h ILE 48 N 0.03 1.42 -0.20 5.15 2.04 -1.32 -2.59 117.51 122.03 3g6e h ILE 48 Ca -0.35 -2.06 -0.14 0.00 1.00 0.00 0.00 64.86 63.32 3g6e h ILE 48 Cb 2.03 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 40.18 3g6e h ILE 48 CO 0.08 0.60 -0.44 -0.08 0.00 0.00 0.00 178.15 178.30 3g6e h GLU 49 N 0.09 0.50 0.03 2.37 4.57 -1.45 -1.81 114.58 118.88 3g6e h GLU 49 Ca -0.01 -0.27 -0.22 0.00 -1.18 0.00 0.00 59.36 57.69 3g6e h GLU 49 Cb 1.11 0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.73 3g6e h GLU 49 CO 0.09 0.85 -0.87 -0.09 -1.18 0.00 0.00 179.01 177.81 3g6e h ARG 50 N 0.40 0.54 -0.00 1.92 2.43 -1.52 -3.39 114.38 114.77 3g6e h ARG 50 Ca 0.03 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3g6e h ARG 50 Cb 0.94 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3g6e h ARG 50 CO 0.08 1.24 -0.61 0.66 -1.51 0.00 0.00 179.97 179.83 3g6e n TYR 51 N -4.02 0.00 -3.35 2.20 4.02 -0.99 -5.01 117.16 110.01 3g6e n TYR 51 Ca -0.11 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.52 3g6e n TYR 51 Cb 0.80 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.11 3g6e n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3g6e s ALA 52 N -2.25 3.67 0.09 -0.72 0.00 -0.68 -5.08 121.76 116.78 3g6e s ALA 52 Ca 0.07 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3g6e s ALA 52 Cb 0.11 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3g6e s ALA 52 CO 0.55 0.05 -0.08 1.14 0.00 0.00 0.00 175.76 177.43 3g6e s GLN 53 N -4.09 0.77 0.59 0.00 -2.07 -1.26 -4.92 119.66 108.68 3g6e s GLN 53 Ca 0.41 -1.17 -0.19 0.00 -1.82 0.00 0.00 55.36 52.59 3g6e s GLN 53 Cb -0.10 -0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 31.49 3g6e s GLN 53 CO 0.35 0.02 1.25 -1.21 -1.32 0.00 0.00 175.29 174.38 3g6e s GLU 54 N -3.11 2.97 -1.00 9.60 2.02 -1.26 -3.16 118.70 124.75 3g6e s GLU 54 Ca 0.06 1.96 0.00 0.00 0.02 0.00 0.00 54.97 57.00 3g6e s GLU 54 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3g6e s GLU 54 CO -0.03 -1.24 0.00 -0.25 0.02 0.00 0.00 175.26 173.76 3g6e n ASP 55 N -1.47 -5.30 -3.94 -0.19 8.00 -1.26 -4.95 116.55 107.43 3g6e n ASP 55 Ca 0.13 0.23 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 3g6e n ASP 55 Cb 0.48 -3.63 -0.16 0.00 -0.02 0.00 0.00 41.12 37.79 3g6e n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3g6e s GLU 56 N -2.65 1.75 0.13 -1.24 2.12 -1.19 -4.99 118.70 112.64 3g6e s GLU 56 Ca 0.00 -0.60 -0.31 0.00 0.36 0.00 0.00 54.97 54.42 3g6e s GLU 56 Cb 0.00 -2.12 -0.08 0.00 0.26 0.00 0.00 34.13 32.19 3g6e s GLU 56 CO 0.00 -0.39 1.39 0.99 -0.54 0.00 0.00 175.26 176.71 3g6e s THR 57 N 1.54 3.24 -0.25 -1.70 2.01 -0.66 -4.60 115.64 115.22 3g6e s THR 57 Ca 0.01 0.91 -0.19 0.00 0.31 0.00 0.00 61.69 62.72 3g6e s THR 57 Cb -0.15 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 3g6e s THR 57 CO -0.08 0.08 0.59 -0.69 -0.69 0.00 0.00 174.62 173.83 3g6e s VAL 58 N 0.95 5.02 -0.24 3.82 1.01 -0.03 -0.45 120.40 130.49 3g6e s VAL 58 Ca 0.64 1.05 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 3g6e s VAL 58 Cb -0.37 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3g6e s VAL 58 CO 0.32 0.05 0.00 -0.69 0.00 0.00 0.00 175.10 174.78 3g6e s VAL 59 N 2.40 3.69 -0.30 2.92 1.01 0.11 0.76 120.40 130.99 3g6e s VAL 59 Ca 0.25 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3g6e s VAL 59 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3g6e s VAL 59 CO 0.09 0.37 0.09 -0.69 0.00 0.00 0.00 175.10 174.96 3g6e s VAL 60 N 1.52 4.01 0.00 2.92 1.01 0.63 -1.05 120.40 129.44 3g6e s VAL 60 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3g6e s VAL 60 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3g6e s VAL 60 CO -0.01 0.04 1.36 -0.81 0.00 0.00 0.00 175.10 175.68 3g6e n PRO 61 N 4.87 0.96 0.00 2.72 -0.04 -1.26 -4.03 135.00 138.22 3g6e n PRO 61 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3g6e n PRO 61 Cb 0.48 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 3g6e n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g6e n GLY 62 N 0.93 2.74 3.14 0.55 0.00 -1.26 -4.03 105.19 107.25 3g6e n GLY 62 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3g6e n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g6e s LYS 63 N 3.57 1.35 -0.18 1.61 2.20 0.12 -1.91 119.74 126.50 3g6e s LYS 63 Ca 0.00 -0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 54.91 3g6e s LYS 63 Cb 0.00 -1.29 -0.05 0.00 -1.51 0.00 0.00 37.83 34.98 3g6e s LYS 63 CO 0.00 0.34 0.23 0.08 -0.36 0.00 0.00 175.35 175.64 3g6e s VAL 64 N -0.34 5.34 0.27 4.02 1.01 -0.71 -1.52 120.40 128.47 3g6e s VAL 64 Ca 0.05 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.54 3g6e s VAL 64 Cb -0.07 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3g6e s VAL 64 CO -0.00 0.40 0.04 -0.76 0.00 0.00 0.00 175.10 174.78 3g6e s LEU 65 N 0.48 3.32 -0.08 3.92 1.43 0.16 -1.60 118.68 126.31 3g6e s LEU 65 Ca 0.13 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3g6e s LEU 65 Cb -0.12 -1.84 0.23 0.00 0.03 0.00 0.00 46.19 44.49 3g6e s LEU 65 CO 0.02 -0.02 0.91 0.61 0.23 0.00 0.00 176.35 178.11 3g6e n GLY 66 N -0.96 2.04 3.78 -3.19 0.00 -1.26 -2.71 105.19 102.88 3g6e n GLY 66 Ca -0.07 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3g6e n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6e s SER 67 N -0.14 7.31 0.00 1.61 0.01 -1.26 -4.83 113.70 116.40 3g6e s SER 67 Ca 0.16 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.97 3g6e s SER 67 Cb 0.12 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3g6e s SER 67 CO 0.04 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.51 3g6e n GLY 68 N 1.70 -0.46 3.66 3.44 0.00 -1.26 -1.52 105.19 110.74 3g6e n GLY 68 Ca -0.06 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3g6e n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 69 N -1.32 4.17 -0.20 1.61 1.01 -1.26 -4.64 120.40 119.78 3g6e s VAL 69 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3g6e s VAL 69 Cb 0.00 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.67 3g6e s VAL 69 CO 0.00 0.60 -0.15 -0.22 0.00 0.00 0.00 175.10 175.33 3g6e s LEU 70 N -0.84 2.37 -0.14 3.92 2.96 -1.26 -4.39 118.68 121.31 3g6e s LEU 70 Ca 0.13 -0.83 0.13 0.00 -0.22 0.00 0.00 54.13 53.34 3g6e s LEU 70 Cb -0.11 -1.41 -0.19 0.00 0.50 0.00 0.00 46.19 44.98 3g6e s LEU 70 CO 0.02 -0.07 0.06 0.00 -1.32 0.00 0.00 176.35 175.04 3g6e n GLN 71 N 4.61 1.53 -2.11 1.98 6.02 -1.26 -4.83 117.38 123.32 3g6e n GLN 71 Ca -0.18 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 3g6e n GLN 71 Cb 0.48 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.35 3g6e n GLN 71 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3g6e s LYS 72 N -2.39 3.98 -1.23 -1.09 1.02 -1.26 -4.94 119.74 113.84 3g6e s LYS 72 Ca -0.07 2.07 -0.15 0.00 0.02 0.00 0.00 55.97 57.84 3g6e s LYS 72 Cb 0.05 -2.73 0.14 0.00 -0.52 0.00 0.00 37.83 34.76 3g6e s LYS 72 CO 0.61 -0.45 1.53 0.34 -0.92 0.00 0.00 175.35 176.46 3g6e s ASP 73 N -0.84 6.98 0.07 2.83 2.15 -1.26 -4.40 116.67 122.20 3g6e s ASP 73 Ca 0.57 -2.78 0.09 0.00 0.43 0.00 0.00 52.55 50.86 3g6e s ASP 73 Cb -0.36 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 39.76 3g6e s ASP 73 CO 0.46 -0.90 -0.23 0.68 -0.17 0.00 0.00 175.17 175.01 3g6e s VAL 74 N 2.50 2.45 -0.44 1.11 -7.23 -1.26 -4.43 120.40 113.09 3g6e s VAL 74 Ca 0.46 -1.42 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 3g6e s VAL 74 Cb -0.01 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.93 3g6e s VAL 74 CO 0.02 0.26 0.55 -0.89 -0.31 0.00 0.00 175.10 174.74 3g6e s THR 75 N -0.94 4.95 -0.19 5.32 2.01 -1.26 -1.91 115.64 123.63 3g6e s THR 75 Ca 0.14 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 3g6e s THR 75 Cb -0.10 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3g6e s THR 75 CO 0.05 -0.56 0.23 -0.69 -0.69 0.00 0.00 174.62 172.96 3g6e s VAL 76 N 2.47 5.34 -0.16 3.82 1.01 -0.08 -0.85 120.40 131.95 3g6e s VAL 76 Ca 0.16 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3g6e s VAL 76 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3g6e s VAL 76 CO 0.15 0.39 -0.17 0.00 0.00 0.00 0.00 175.10 175.47 3g6e s ALA 77 N 0.58 2.43 0.26 5.51 0.00 0.23 -0.57 121.76 130.19 3g6e s ALA 77 Ca 0.13 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 3g6e s ALA 77 Cb -0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3g6e s ALA 77 CO 0.02 -0.08 0.38 0.00 0.00 0.00 0.00 175.76 176.08 3g6e s ALA 78 N 0.89 0.40 0.15 0.00 0.00 -1.16 -0.27 121.76 121.76 3g6e s ALA 78 Ca -0.04 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.58 3g6e s ALA 78 Cb -0.15 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 3g6e s ALA 78 CO -0.02 -0.77 1.42 0.28 0.00 0.00 0.00 175.76 176.68 3g6e h VAL 79 N 2.32 1.30 -2.72 0.00 2.07 -1.52 -1.90 116.25 115.81 3g6e h VAL 79 Ca -0.29 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 65.33 3g6e h VAL 79 Cb 1.25 1.82 -0.14 0.00 -1.52 0.00 0.00 31.29 32.69 3g6e h VAL 79 CO 0.41 0.59 0.18 -0.62 0.02 0.00 0.00 177.57 178.14 3g6e s ASP 80 N -6.98 -0.57 0.06 0.57 -1.08 -1.23 -4.86 116.67 102.59 3g6e s ASP 80 Ca -0.09 0.20 0.05 0.00 -0.52 0.00 0.00 52.55 52.20 3g6e s ASP 80 Cb 0.10 0.57 -0.03 0.00 -1.46 0.00 0.00 42.92 42.10 3g6e s ASP 80 CO 0.87 -0.84 -0.15 -0.36 0.52 0.00 0.00 175.17 175.21 3g6e s PHE 81 N -2.92 1.27 0.68 -5.34 0.40 -1.26 -1.74 117.98 109.07 3g6e s PHE 81 Ca -0.03 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.77 3g6e s PHE 81 Cb -0.01 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 3g6e s PHE 81 CO -0.06 0.06 1.06 -1.54 0.70 0.00 0.00 175.22 175.45 3g6e s SER 82 N -1.56 5.68 0.27 1.36 1.04 -0.63 -4.84 113.70 115.03 3g6e s SER 82 Ca -0.00 1.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.80 3g6e s SER 82 Cb -0.09 -2.29 0.53 0.00 0.10 0.00 0.00 66.02 64.27 3g6e s SER 82 CO 0.02 -1.22 1.78 1.23 0.98 0.00 0.00 173.24 176.03 3g6e h GLY 83 N -0.56 1.43 1.48 7.32 0.00 -2.01 -2.06 103.07 108.66 3g6e h GLY 83 Ca -0.44 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 46.37 3g6e h GLY 83 CO 0.61 0.00 -0.91 -0.84 0.00 0.00 0.00 176.54 175.41 3g6e h THR 84 N 0.70 1.37 0.19 4.70 2.02 -1.97 -3.05 112.91 116.87 3g6e h THR 84 Ca 0.47 -2.33 -0.00 0.00 0.77 0.00 0.00 66.41 65.31 3g6e h THR 84 Cb 0.62 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 3g6e h THR 84 CO -0.34 0.70 -0.13 0.00 0.37 0.00 0.00 175.52 176.13 3g6e h ALA 85 N 0.71 -0.30 -0.52 6.16 0.00 -1.70 0.05 119.26 123.67 3g6e h ALA 85 Ca -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3g6e h ALA 85 Cb 1.53 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 3g6e h ALA 85 CO 0.16 -0.68 0.29 1.49 0.00 0.00 0.00 179.25 180.52 3g6e h GLU 86 N -0.31 0.71 -0.14 0.00 4.81 -1.49 -0.43 114.58 117.73 3g6e h GLU 86 Ca -0.01 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 3g6e h GLU 86 Cb 0.27 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3g6e h GLU 86 CO 0.01 0.52 -0.27 1.15 -0.73 0.00 0.00 179.01 179.69 3g6e h THR 87 N 0.72 1.37 -0.02 0.32 2.02 -1.36 -2.40 112.91 113.55 3g6e h THR 87 Ca 0.19 -1.53 -0.10 0.00 0.77 0.00 0.00 66.41 65.74 3g6e h THR 87 Cb 0.01 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3g6e h THR 87 CO -0.03 0.45 -0.46 0.11 0.37 0.00 0.00 175.52 175.97 3g6e h LYS 88 N 0.04 0.05 0.01 6.66 1.57 -0.52 -3.13 116.57 121.25 3g6e h LYS 88 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3g6e h LYS 88 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3g6e h LYS 88 CO 0.06 0.50 -0.00 0.82 -0.57 0.00 0.00 179.45 180.26 3g6e h ILE 89 N 0.04 1.56 0.00 1.86 2.04 -1.11 -3.30 117.51 118.61 3g6e h ILE 89 Ca -0.00 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.12 3g6e h ILE 89 Cb 0.82 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3g6e h ILE 89 CO 0.06 0.45 0.10 0.44 0.00 0.00 0.00 178.15 179.20 3g6e h ASP 90 N -0.76 0.00 -0.12 1.72 3.32 -1.43 0.95 116.42 120.10 3g6e h ASP 90 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3g6e h ASP 90 Cb 0.74 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.30 3g6e h ASP 90 CO 0.00 0.00 -0.71 1.56 -1.72 0.00 0.00 179.24 178.37 3g6e h GLN 91 N 0.00 0.69 0.00 3.56 4.20 -1.61 -3.38 115.11 118.57 3g6e h GLN 91 Ca 0.00 -0.58 -0.02 0.00 0.06 0.00 0.00 58.65 58.11 3g6e h GLN 91 Cb 0.20 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3g6e h GLN 91 CO 0.00 1.20 -1.45 1.33 -0.67 0.00 0.00 178.83 179.24 3g6e n VAL 92 N -4.04 0.07 0.00 -0.54 0.24 -0.59 -5.08 118.33 108.39 3g6e n VAL 92 Ca -0.08 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3g6e n VAL 92 Cb 0.71 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3g6e n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g6e n GLY 93 N 2.03 4.85 2.95 7.63 0.00 0.32 -4.04 105.19 118.92 3g6e n GLY 93 Ca -0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3g6e n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g6e s GLU 94 N 4.50 0.11 -0.36 1.61 2.12 -0.80 -4.19 118.70 121.69 3g6e s GLU 94 Ca 0.00 0.58 -0.18 0.00 0.36 0.00 0.00 54.97 55.73 3g6e s GLU 94 Cb 0.00 -0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.24 3g6e s GLU 94 CO 0.00 -0.25 0.50 0.00 -0.54 0.00 0.00 175.26 174.98 3g6e s ALA 95 N 1.94 3.47 0.03 6.30 0.00 -1.26 -0.91 121.76 131.33 3g6e s ALA 95 Ca -0.02 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.96 3g6e s ALA 95 Cb -0.12 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3g6e s ALA 95 CO -0.07 -1.25 -0.22 0.08 0.00 0.00 0.00 175.76 174.30 3g6e s VAL 96 N 2.37 2.49 0.44 0.00 1.01 0.26 -4.98 120.40 121.99 3g6e s VAL 96 Ca 0.18 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 3g6e s VAL 96 Cb -0.16 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 3g6e s VAL 96 CO 0.13 0.39 0.98 -0.94 0.00 0.00 0.00 175.10 175.66 3g6e s SER 97 N -1.23 6.81 0.61 3.32 1.04 -1.26 -3.00 113.70 119.98 3g6e s SER 97 Ca 0.13 1.77 0.38 0.00 0.48 0.00 0.00 55.95 58.71 3g6e s SER 97 Cb -0.10 -2.55 1.97 0.00 0.10 0.00 0.00 66.02 65.44 3g6e s SER 97 CO 0.03 -0.45 2.23 0.25 0.98 0.00 0.00 173.24 176.28 3g6e h LEU 98 N 1.93 0.00 -0.60 2.42 5.85 -1.67 -1.04 115.31 122.20 3g6e h LEU 98 Ca -0.49 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.08 3g6e h LEU 98 Cb 1.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3g6e h LEU 98 CO 0.61 0.02 -0.69 -0.33 -0.34 0.00 0.00 178.44 177.71 3g6e h GLU 99 N 0.00 0.07 0.19 1.25 3.07 -1.92 -2.98 114.58 114.26 3g6e h GLU 99 Ca -0.00 -0.06 -0.31 0.00 -0.50 0.00 0.00 59.36 58.49 3g6e h GLU 99 Cb 0.17 0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.13 3g6e h GLU 99 CO 0.00 0.73 -1.32 1.96 -1.40 0.00 0.00 179.01 178.98 3g6e h GLN 100 N 0.05 0.56 -0.10 2.33 4.20 -1.59 -3.30 115.11 117.26 3g6e h GLN 100 Ca -0.01 -0.86 0.03 0.00 0.06 0.00 0.00 58.65 57.87 3g6e h GLN 100 Cb 1.22 0.30 -0.00 0.00 0.30 0.00 0.00 27.48 29.30 3g6e h GLN 100 CO 0.09 1.40 0.08 0.00 -0.67 0.00 0.00 178.83 179.74 3g6e h ALA 101 N 0.20 1.95 -0.02 3.87 0.00 -1.36 0.06 119.26 123.96 3g6e h ALA 101 Ca -0.22 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 3g6e h ALA 101 Cb 2.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3g6e h ALA 101 CO 0.25 -0.13 -0.82 0.82 0.00 0.00 0.00 179.25 179.36 3g6e h ILE 102 N 0.00 1.46 0.16 0.00 2.04 -1.60 -1.05 117.51 118.52 3g6e h ILE 102 Ca 0.05 -2.45 -0.31 0.00 1.00 0.00 0.00 64.86 63.15 3g6e h ILE 102 Cb 0.21 2.35 0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3g6e h ILE 102 CO -0.00 0.72 -1.44 -0.08 0.00 0.00 0.00 178.15 177.35 3g6e h GLU 103 N 0.15 0.34 -0.01 2.37 4.81 -1.25 -2.90 114.58 118.09 3g6e h GLU 103 Ca -0.04 -0.58 -0.17 0.00 -0.13 0.00 0.00 59.36 58.43 3g6e h GLU 103 Cb 1.43 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 3g6e h GLU 103 CO 0.13 1.25 -0.79 -0.91 -0.73 0.00 0.00 179.01 177.96 3g6e h ASN 104 N 0.09 0.14 -1.95 1.04 2.35 -1.10 -3.39 115.58 112.76 3g6e h ASN 104 Ca -0.22 -0.11 -0.51 0.00 -0.55 0.00 0.00 56.30 54.91 3g6e h ASN 104 Cb 2.05 -0.04 -0.35 0.00 0.05 0.00 0.00 38.32 40.03 3g6e h ASN 104 CO 0.21 0.88 -0.95 -3.20 -1.65 0.00 0.00 177.43 172.71 3g6e n ASN 105 N -3.67 -0.69 0.27 5.81 5.15 -0.40 -4.99 115.26 116.74 3g6e n ASN 105 Ca -0.02 -2.60 0.15 0.00 -0.60 0.00 0.00 54.58 51.51 3g6e n ASN 105 Cb 0.75 -0.21 0.68 0.00 -0.53 0.00 0.00 39.78 40.48 3g6e n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3g6e h PRO 106 N 4.88 0.00 0.00 1.20 0.13 -1.70 -2.63 132.00 133.88 3g6e h PRO 106 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3g6e h PRO 106 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3g6e h PRO 106 CO 0.37 0.08 -0.14 0.39 -0.23 0.00 0.00 178.00 178.47 3g6e n GLU 107 N -3.27 0.18 -3.36 0.86 4.71 -1.26 -4.56 120.64 113.93 3g6e n GLU 107 Ca -0.00 0.12 -0.16 0.00 -0.01 0.00 0.00 57.16 57.11 3g6e n GLU 107 Cb 0.30 -1.68 0.09 0.00 -1.01 0.00 0.00 31.44 29.14 3g6e n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3g6e n GLY 108 N 1.38 -0.38 3.93 0.62 0.00 -0.99 -3.51 105.19 106.23 3g6e n GLY 108 Ca 0.06 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3g6e n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g6e s SER 109 N -4.24 6.36 -1.24 1.61 1.04 -1.26 -4.60 113.70 111.36 3g6e s SER 109 Ca 0.03 0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.58 3g6e s SER 109 Cb -0.00 -1.94 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 3g6e s SER 109 CO 0.70 0.10 0.67 1.41 0.98 0.00 0.00 173.24 177.10 3g6e n HIS 110 N -0.18 -1.83 -4.45 5.02 8.25 -1.26 -4.86 115.22 115.91 3g6e n HIS 110 Ca -0.06 0.59 -0.21 0.00 -0.26 0.00 0.00 57.72 57.78 3g6e n HIS 110 Cb 0.53 -3.65 -0.16 0.00 1.12 0.00 0.00 29.99 27.83 3g6e n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g6e s VAL 111 N -3.64 0.87 -0.17 1.59 0.11 -1.26 -1.65 120.40 116.25 3g6e s VAL 111 Ca 0.28 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 3g6e s VAL 111 Cb -0.10 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 3g6e s VAL 111 CO 0.86 0.27 -0.09 -0.60 -3.33 0.00 0.00 175.10 172.21 3g6e s ARG 112 N 0.18 3.41 -0.23 1.54 6.06 0.41 -4.96 118.95 125.36 3g6e s ARG 112 Ca -0.03 -0.65 -0.21 0.00 -2.50 0.00 0.00 55.73 52.34 3g6e s ARG 112 Cb -0.09 -2.80 -0.02 0.00 0.06 0.00 0.00 34.95 32.10 3g6e s ARG 112 CO 0.01 0.06 0.66 0.08 -2.50 0.00 0.00 175.30 173.61 3g6e s VAL 113 N 0.76 4.98 -0.07 7.11 1.01 -1.26 0.09 120.40 133.03 3g6e s VAL 113 Ca -0.04 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.21 3g6e s VAL 113 Cb -0.15 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3g6e s VAL 113 CO 0.02 0.05 -0.23 -0.63 0.00 0.00 0.00 175.10 174.30 3g6e s ILE 114 N 2.32 1.91 0.00 2.22 -1.09 -0.21 -4.94 121.20 121.40 3g6e s ILE 114 Ca 0.28 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 3g6e s ILE 114 Cb -0.16 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 3g6e s ILE 114 CO 0.09 0.53 0.13 -1.14 -1.23 0.00 0.00 174.94 173.33