#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgq n ALA 14 N 0.00 0.00 -2.55 7.82 0.00 -1.26 -4.93 120.51 119.59 3mgq n ALA 14 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3mgq n ALA 14 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3mgq n ALA 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mgq s LYS 15 N 0.00 2.59 0.35 0.00 -0.14 -1.26 -5.10 119.74 116.18 3mgq s LYS 15 Ca 0.00 -0.71 -0.28 0.00 -1.36 0.00 0.00 55.97 53.62 3mgq s LYS 15 Cb 0.00 -2.39 -0.12 0.00 -1.68 0.00 0.00 37.83 33.64 3mgq s LYS 15 CO 0.00 0.57 1.37 0.25 -0.76 0.00 0.00 175.35 176.78 3mgq n THR 16 N 2.48 1.90 -0.10 2.17 -2.24 -1.26 -4.81 114.28 112.41 3mgq n THR 16 Ca -0.17 -0.48 0.24 0.00 -2.27 0.00 0.00 64.05 61.37 3mgq n THR 16 Cb 0.52 -1.71 0.70 0.00 -2.10 0.00 0.00 70.33 67.74 3mgq n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3mgq h ARG 17 N 2.85 0.02 -0.12 -0.78 3.08 -1.98 0.14 114.38 117.59 3mgq h ARG 17 Ca -0.47 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.61 3mgq h ARG 17 Cb 1.27 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3mgq h ARG 17 CO 0.64 0.02 -0.08 0.77 -1.07 0.00 0.00 179.97 180.25 3mgq h SER 18 N 0.02 -0.26 0.60 7.04 0.02 -1.84 -1.20 113.55 117.94 3mgq h SER 18 Ca 0.35 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 61.23 3mgq h SER 18 Cb 1.37 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 3mgq h SER 18 CO -0.01 -0.11 -0.60 0.77 -1.14 0.00 0.00 176.83 175.74 3mgq h SER 19 N -0.08 0.00 -0.71 3.07 4.64 -0.93 0.60 113.55 120.13 3mgq h SER 19 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3mgq h SER 19 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 3mgq h SER 19 CO -0.17 0.60 0.44 0.03 -0.87 0.00 0.00 176.83 176.85 3mgq h ARG 20 N 0.00 0.96 0.00 4.77 3.08 -1.12 -2.78 114.38 119.30 3mgq h ARG 20 Ca -0.01 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3mgq h ARG 20 Cb 1.06 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3mgq h ARG 20 CO 0.08 0.67 -0.68 0.00 -1.07 0.00 0.00 179.97 178.97 3mgq n ALA 21 N -2.43 3.48 -1.49 0.04 0.00 -0.47 -4.94 120.51 114.70 3mgq n ALA 21 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3mgq n ALA 21 Cb 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3mgq n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgq n GLY 22 N 1.44 0.76 3.33 0.00 0.00 0.12 -5.04 105.19 105.80 3mgq n GLY 22 Ca 0.04 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 3mgq n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgq s LEU 23 N 0.00 2.15 0.00 0.99 1.43 0.16 -4.98 118.68 118.44 3mgq s LEU 23 Ca 0.00 -0.44 0.30 0.00 -1.03 0.00 0.00 54.13 52.96 3mgq s LEU 23 Cb 0.00 -1.37 1.38 0.00 0.03 0.00 0.00 46.19 46.23 3mgq s LEU 23 CO 0.00 0.31 1.97 0.00 0.23 0.00 0.00 176.35 178.86 3mgq n GLN 24 N 2.49 0.48 -3.99 1.70 1.13 -1.26 -4.17 117.38 113.77 3mgq n GLN 24 Ca -0.16 -0.08 -0.32 0.00 -1.94 0.00 0.00 57.00 54.50 3mgq n GLN 24 Cb 0.51 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.31 3mgq n GLN 24 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3mgq s PHE 25 N -2.57 3.39 -0.83 1.08 0.40 -1.26 -5.02 117.98 113.18 3mgq s PHE 25 Ca 0.28 0.22 -0.25 0.00 -0.60 0.00 0.00 56.93 56.57 3mgq s PHE 25 Cb 0.20 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 42.02 3mgq s PHE 25 CO 0.48 0.58 1.52 -1.25 0.70 0.00 0.00 175.22 177.24 3mgq s PRO 26 N -2.21 3.14 0.12 0.24 0.04 -1.26 -4.72 135.00 130.35 3mgq s PRO 26 Ca 0.30 -0.39 -0.20 0.00 0.04 0.00 0.00 61.00 60.75 3mgq s PRO 26 Cb -0.13 -4.71 -0.06 0.00 0.04 0.00 0.00 34.50 29.64 3mgq s PRO 26 CO 0.22 -2.43 1.75 0.28 0.04 0.00 0.00 177.00 176.86 3mgq h VAL 27 N 6.58 0.96 -0.30 -0.36 2.07 -1.92 -1.73 116.25 121.56 3mgq h VAL 27 Ca -0.07 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.47 3mgq h VAL 27 Cb 1.05 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 3mgq h VAL 27 CO 1.31 0.02 -0.31 1.23 0.02 0.00 0.00 177.57 179.84 3mgq h GLY 28 N 0.14 -0.29 0.12 2.17 0.00 -1.95 -0.16 103.07 103.11 3mgq h GLY 28 Ca 0.07 0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.86 3mgq h GLY 28 CO -0.07 -0.21 -0.22 -0.09 0.00 0.00 0.00 176.54 175.95 3mgq h ARG 29 N -0.29 -0.20 -0.55 4.80 2.43 -1.92 -0.44 114.38 118.21 3mgq h ARG 29 Ca 0.14 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3mgq h ARG 29 Cb 0.53 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 3mgq h ARG 29 CO -0.46 -0.13 0.29 0.28 -1.51 0.00 0.00 179.97 178.44 3mgq h VAL 30 N -0.20 0.97 -0.37 0.20 2.07 -0.42 0.24 116.25 118.73 3mgq h VAL 30 Ca 0.15 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3mgq h VAL 30 Cb 0.44 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3mgq h VAL 30 CO -0.41 0.10 0.13 -0.74 0.02 0.00 0.00 177.57 176.68 3mgq h HIS 31 N 0.56 0.24 -0.43 1.57 -0.00 -0.40 -0.16 115.15 116.53 3mgq h HIS 31 Ca 0.24 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3mgq h HIS 31 Cb 0.13 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3mgq h HIS 31 CO -0.09 0.10 0.24 -0.09 -0.00 0.00 0.00 177.93 178.09 3mgq h ARG 32 N 0.29 0.60 0.00 5.26 2.43 -0.11 -2.63 114.38 120.22 3mgq h ARG 32 Ca 0.17 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3mgq h ARG 32 Cb 0.15 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3mgq h ARG 32 CO -0.17 0.47 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.49 3mgq h LEU 33 N 0.57 0.00 -0.62 3.80 3.38 -0.06 -1.69 115.31 120.69 3mgq h LEU 33 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3mgq h LEU 33 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3mgq h LEU 33 CO -0.03 0.20 -0.60 -0.07 0.09 0.00 0.00 178.44 178.04 3mgq h LEU 34 N 0.00 0.35 0.10 1.67 3.38 -0.68 -2.87 115.31 117.25 3mgq h LEU 34 Ca -0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3mgq h LEU 34 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3mgq h LEU 34 CO 0.03 0.86 -0.05 0.03 0.09 0.00 0.00 178.44 179.40 3mgq h ARG 35 N 0.23 -0.13 0.00 1.13 3.08 -1.08 -3.22 114.38 114.39 3mgq h ARG 35 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mgq h ARG 35 Cb 1.11 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3mgq h ARG 35 CO 0.10 0.34 0.00 0.36 -1.07 0.00 0.00 179.97 179.70 3mgq n LYS 36 N -4.91 0.05 -0.00 0.04 2.85 -0.74 -2.38 118.16 113.07 3mgq n LYS 36 Ca -0.08 0.22 0.14 0.00 -1.05 0.00 0.00 58.31 57.54 3mgq n LYS 36 Cb 0.27 -1.50 0.64 0.00 -0.65 0.00 0.00 35.03 33.79 3mgq n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mgq n GLY 37 N 0.02 -0.28 3.96 2.58 0.00 -1.08 -4.94 105.19 105.44 3mgq n GLY 37 Ca 0.04 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 3mgq n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgq n ASN 38 N -0.16 -0.30 -0.00 1.61 4.13 -1.00 -4.87 115.26 114.67 3mgq n ASN 38 Ca 0.20 -1.01 -0.11 0.00 1.68 0.00 0.00 54.58 55.34 3mgq n ASN 38 Cb 0.28 -3.04 -0.14 0.00 -1.54 0.00 0.00 39.78 35.35 3mgq n ASN 38 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 3mgq h TYR 39 N -1.84 0.10 -2.52 3.10 -1.99 -1.81 -3.48 116.97 108.54 3mgq h TYR 39 Ca -0.63 -0.08 0.05 0.00 2.00 0.00 0.00 58.73 60.07 3mgq h TYR 39 Cb 1.38 -0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.96 3mgq h TYR 39 CO 0.49 1.14 0.37 0.00 -0.00 0.00 0.00 178.16 180.16 3mgq s ALA 40 N -2.61 -1.74 0.17 3.88 0.00 -1.26 -5.06 121.76 115.14 3mgq s ALA 40 Ca -0.07 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 3mgq s ALA 40 Cb 0.08 0.54 0.09 0.00 0.00 0.00 0.00 23.12 23.83 3mgq s ALA 40 CO 0.82 -0.69 1.66 1.49 0.00 0.00 0.00 175.76 179.04 3mgq h GLU 41 N 2.06 -0.03 -6.43 0.00 4.81 -1.98 -3.43 114.58 109.58 3mgq h GLU 41 Ca -0.27 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.34 3mgq h GLU 41 Cb 1.26 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.46 3mgq h GLU 41 CO 0.34 -0.02 -0.81 1.03 -0.73 0.00 0.00 179.01 178.82 3mgq s ARG 42 N -6.20 1.44 -0.11 1.92 0.52 -1.26 -5.12 118.95 110.14 3mgq s ARG 42 Ca -0.14 -1.48 -0.01 0.00 -0.52 0.00 0.00 55.73 53.57 3mgq s ARG 42 Cb 0.14 -1.70 0.03 0.00 0.52 0.00 0.00 34.95 33.94 3mgq s ARG 42 CO 0.71 0.37 -0.00 0.08 0.02 0.00 0.00 175.30 176.47 3mgq s VAL 43 N -1.74 0.53 0.58 3.52 1.01 -1.26 -5.09 120.40 117.95 3mgq s VAL 43 Ca 0.19 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 3mgq s VAL 43 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3mgq s VAL 43 CO 0.09 0.17 1.12 -0.83 0.00 0.00 0.00 175.10 175.65 3mgq s GLY 44 N 1.89 2.48 0.36 4.51 0.00 -1.26 -4.96 107.32 110.35 3mgq s GLY 44 Ca 0.04 0.74 0.05 0.00 0.00 0.00 0.00 44.72 45.54 3mgq s GLY 44 CO -0.06 1.09 1.97 0.00 0.00 0.00 0.00 173.10 176.09 3mgq h ALA 45 N 0.82 1.68 -0.48 3.20 0.00 -2.04 -2.98 119.26 119.45 3mgq h ALA 45 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3mgq h ALA 45 Cb 1.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3mgq h ALA 45 CO 0.56 0.22 0.27 0.78 0.00 0.00 0.00 179.25 181.07 3mgq h GLY 46 N 0.77 0.72 0.28 0.00 0.00 -2.02 -3.35 103.07 99.47 3mgq h GLY 46 Ca 0.30 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.38 3mgq h GLY 46 CO -0.09 0.31 -0.02 0.00 0.00 0.00 0.00 176.54 176.74 3mgq h ALA 47 N 1.11 0.38 0.00 3.60 0.00 -1.92 0.90 119.26 123.33 3mgq h ALA 47 Ca 0.17 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3mgq h ALA 47 Cb 0.05 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mgq h ALA 47 CO -0.03 -0.40 -0.13 -1.00 0.00 0.00 0.00 179.25 177.69 3mgq h PRO 48 N 0.09 0.00 0.07 0.00 0.13 -1.73 0.25 132.00 130.81 3mgq h PRO 48 Ca 0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3mgq h PRO 48 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 3mgq h PRO 48 CO -0.37 0.13 -0.03 0.28 -0.23 0.00 0.00 178.00 177.78 3mgq h VAL 49 N 0.00 1.21 -0.25 1.56 2.07 -1.04 0.69 116.25 120.49 3mgq h VAL 49 Ca -0.00 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.45 3mgq h VAL 49 Cb 0.26 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 3mgq h VAL 49 CO 0.02 0.27 -0.17 0.22 0.02 0.00 0.00 177.57 177.93 3mgq h TYR 50 N -0.62 -0.43 -0.16 1.57 -0.00 -0.90 -1.91 116.97 114.52 3mgq h TYR 50 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.74 3mgq h TYR 50 Cb 0.52 0.23 -0.01 0.00 -0.00 0.00 0.00 36.73 37.47 3mgq h TYR 50 CO 0.09 -0.24 0.06 1.25 -0.00 0.00 0.00 178.16 179.31 3mgq h LEU 51 N -0.16 0.22 -0.88 2.82 5.85 -0.49 -1.52 115.31 121.16 3mgq h LEU 51 Ca 0.14 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.81 3mgq h LEU 51 Cb 0.37 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 3mgq h LEU 51 CO -0.35 0.34 0.49 0.00 -0.34 0.00 0.00 178.44 178.59 3mgq h ALA 52 N 0.89 1.33 -0.20 1.25 0.00 -0.73 -1.11 119.26 120.68 3mgq h ALA 52 Ca 0.05 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3mgq h ALA 52 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3mgq h ALA 52 CO -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 3mgq h ALA 53 N 1.54 0.29 -0.74 0.00 0.00 -0.73 -0.91 119.26 118.71 3mgq h ALA 53 Ca 0.46 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 55.17 3mgq h ALA 53 Cb 0.59 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 3mgq h ALA 53 CO -0.32 0.17 0.34 0.28 0.00 0.00 0.00 179.25 179.72 3mgq h VAL 54 N 0.14 0.76 -0.46 0.00 2.07 -0.90 0.19 116.25 118.05 3mgq h VAL 54 Ca 0.04 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3mgq h VAL 54 Cb 0.66 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3mgq h VAL 54 CO 0.04 0.10 -0.10 -0.07 0.02 0.00 0.00 177.57 177.56 3mgq h LEU 55 N 0.55 0.81 -0.11 2.57 3.38 -0.85 -1.75 115.31 119.91 3mgq h LEU 55 Ca 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3mgq h LEU 55 Cb 0.49 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3mgq h LEU 55 CO -0.33 0.93 0.03 -0.08 0.09 0.00 0.00 178.44 179.08 3mgq h GLU 56 N 0.74 0.17 -0.08 1.13 4.81 -0.50 -1.59 114.58 119.26 3mgq h GLU 56 Ca 0.13 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3mgq h GLU 56 Cb 0.59 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 3mgq h GLU 56 CO 0.04 0.34 -0.17 -0.92 -0.73 0.00 0.00 179.01 177.57 3mgq h TYR 57 N -0.03 -0.44 -0.81 0.92 3.20 -0.84 0.31 116.97 119.29 3mgq h TYR 57 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3mgq h TYR 57 Cb 0.24 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3mgq h TYR 57 CO 0.00 -0.24 0.37 -0.07 -1.64 0.00 0.00 178.16 176.58 3mgq h LEU 58 N -0.24 1.07 -0.65 2.82 3.38 -1.25 -0.70 115.31 119.73 3mgq h LEU 58 Ca 0.08 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3mgq h LEU 58 Cb 0.35 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3mgq h LEU 58 CO -0.22 0.91 0.40 0.74 0.09 0.00 0.00 178.44 180.36 3mgq h THR 59 N 1.16 1.07 -0.29 0.22 2.02 -0.85 -2.21 112.91 114.03 3mgq h THR 59 Ca 0.28 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3mgq h THR 59 Cb 0.14 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3mgq h THR 59 CO -0.03 0.14 0.11 0.00 0.37 0.00 0.00 175.52 176.11 3mgq h ALA 60 N 1.29 0.38 -0.44 6.16 0.00 0.26 -0.31 119.26 126.58 3mgq h ALA 60 Ca 0.26 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3mgq h ALA 60 Cb 0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3mgq h ALA 60 CO -0.11 -0.02 0.03 1.49 0.00 0.00 0.00 179.25 180.65 3mgq h GLU 61 N 0.32 0.14 0.06 0.00 4.57 -1.08 0.43 114.58 119.02 3mgq h GLU 61 Ca 0.10 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3mgq h GLU 61 Cb 0.20 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3mgq h GLU 61 CO -0.01 0.10 -0.03 0.82 -1.18 0.00 0.00 179.01 178.71 3mgq h ILE 62 N 0.15 1.17 -0.79 2.32 2.04 -1.03 -2.11 117.51 119.26 3mgq h ILE 62 Ca 0.22 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.31 3mgq h ILE 62 Cb 0.31 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 3mgq h ILE 62 CO -0.34 0.20 0.52 -0.07 0.00 0.00 0.00 178.15 178.46 3mgq h LEU 63 N -0.45 0.80 -0.39 1.44 3.38 -0.87 -0.95 115.31 118.26 3mgq h LEU 63 Ca -0.01 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3mgq h LEU 63 Cb 0.40 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3mgq h LEU 63 CO 0.01 0.53 0.22 -0.08 0.09 0.00 0.00 178.44 179.22 3mgq h GLU 64 N 0.91 0.44 0.00 1.13 4.57 0.01 0.19 114.58 121.83 3mgq h GLU 64 Ca 0.33 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 3mgq h GLU 64 Cb 0.13 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3mgq h GLU 64 CO -0.10 0.29 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.90 3mgq h LEU 65 N 0.45 0.00 0.12 1.64 3.38 -0.75 -2.46 115.31 117.70 3mgq h LEU 65 Ca 0.16 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.81 3mgq h LEU 65 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mgq h LEU 65 CO -0.08 0.01 -1.64 0.00 0.09 0.00 0.00 178.44 176.82 3mgq h ALA 66 N 1.99 0.33 0.08 1.53 0.00 -0.98 -1.62 119.26 120.59 3mgq h ALA 66 Ca -0.00 -1.19 0.02 0.00 0.00 0.00 0.00 54.91 53.74 3mgq h ALA 66 Cb 1.01 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3mgq h ALA 66 CO 0.00 1.20 -0.46 0.78 0.00 0.00 0.00 179.25 180.77 3mgq h GLY 67 N 1.66 -0.93 -0.25 0.00 0.00 -0.65 0.23 103.07 103.12 3mgq h GLY 67 Ca -0.28 0.56 0.19 0.00 0.00 0.00 0.00 47.33 47.79 3mgq h GLY 67 CO 0.15 -0.26 0.19 3.43 0.00 0.00 0.00 176.54 180.05 3mgq h ASN 68 N -0.67 -0.01 -0.19 0.19 2.35 -1.48 0.12 115.58 115.90 3mgq h ASN 68 Ca 0.02 0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 3mgq h ASN 68 Cb 0.70 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 3mgq h ASN 68 CO -0.28 -0.09 -0.05 0.00 -1.65 0.00 0.00 177.43 175.36 3mgq h ALA 69 N 1.69 1.34 -0.28 -0.83 0.00 -0.60 -1.24 119.26 119.33 3mgq h ALA 69 Ca 0.47 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3mgq h ALA 69 Cb 0.87 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3mgq h ALA 69 CO -0.58 0.45 -0.30 0.00 0.00 0.00 0.00 179.25 178.82 3mgq h ALA 70 N 1.48 0.41 0.27 0.00 0.00 0.12 -2.95 119.26 118.60 3mgq h ALA 70 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3mgq h ALA 70 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3mgq h ALA 70 CO 0.02 0.44 -0.22 -0.09 0.00 0.00 0.00 179.25 179.40 3mgq h ARG 71 N 0.44 -0.45 -0.94 0.00 2.43 -0.24 0.25 114.38 115.86 3mgq h ARG 71 Ca 0.04 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.37 3mgq h ARG 71 Cb 0.87 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 30.38 3mgq h ARG 71 CO 0.07 -0.30 -0.42 -0.25 -1.51 0.00 0.00 179.97 177.56 3mgq n ASP 72 N -3.63 -0.72 -0.48 -3.80 8.00 -0.52 0.27 116.55 115.67 3mgq n ASP 72 Ca -0.06 1.65 0.00 0.00 0.71 0.00 0.00 54.79 57.09 3mgq n ASP 72 Cb 0.21 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3mgq n ASP 72 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mgq n ASN 73 N -5.32 0.58 -3.57 -2.24 3.02 -1.11 -4.80 115.26 101.81 3mgq n ASN 73 Ca 0.07 -1.19 -0.20 0.00 -0.03 0.00 0.00 54.58 53.23 3mgq n ASN 73 Cb 0.34 -0.29 0.05 0.00 -0.61 0.00 0.00 39.78 39.28 3mgq n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mgq n LYS 74 N 0.18 -4.95 -4.03 3.52 4.76 0.78 -5.02 118.16 113.40 3mgq n LYS 74 Ca 0.00 0.71 -0.09 0.00 -2.87 0.00 0.00 58.31 56.06 3mgq n LYS 74 Cb 0.14 -5.40 -0.09 0.00 -1.84 0.00 0.00 35.03 27.85 3mgq n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3mgq s LYS 75 N -5.62 0.89 0.00 1.97 1.02 0.85 -5.01 119.74 113.84 3mgq s LYS 75 Ca 0.08 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.84 3mgq s LYS 75 Cb -0.02 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 3mgq s LYS 75 CO 0.78 -0.27 0.32 0.25 -0.92 0.00 0.00 175.35 175.51 3mgq n THR 76 N -0.07 0.00 -4.60 2.17 -2.24 -1.26 -3.29 114.28 104.99 3mgq n THR 76 Ca -0.10 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 3mgq n THR 76 Cb 0.63 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.74 3mgq n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3mgq s ARG 77 N -0.29 2.77 -0.06 -0.78 3.52 -1.26 -5.08 118.95 117.77 3mgq s ARG 77 Ca 0.00 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 3mgq s ARG 77 Cb 0.00 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 3mgq s ARG 77 CO 0.00 -0.03 1.21 0.42 -0.81 0.00 0.00 175.30 176.09 3mgq s ILE 78 N 0.87 4.23 0.37 4.11 1.01 -1.26 -4.98 121.20 125.56 3mgq s ILE 78 Ca -0.07 1.56 0.08 0.00 0.00 0.00 0.00 60.65 62.22 3mgq s ILE 78 Cb -0.15 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3mgq s ILE 78 CO -0.02 -0.01 0.01 0.27 0.00 0.00 0.00 174.94 175.19 3mgq s ILE 79 N 2.29 2.28 0.47 2.92 -4.36 -1.26 -5.01 121.20 118.53 3mgq s ILE 79 Ca 0.56 -2.00 0.20 0.00 -0.26 0.00 0.00 60.65 59.16 3mgq s ILE 79 Cb -0.25 -2.86 0.38 0.00 1.25 0.00 0.00 42.46 40.99 3mgq s ILE 79 CO 0.22 -0.10 1.94 -0.65 0.24 0.00 0.00 174.94 176.58 3mgq h PRO 80 N 1.79 0.24 -0.81 0.37 0.11 -1.87 0.31 132.00 132.13 3mgq h PRO 80 Ca -0.43 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.82 3mgq h PRO 80 Cb 1.25 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 3mgq h PRO 80 CO 0.73 0.16 0.38 -0.09 -0.21 0.00 0.00 178.00 178.96 3mgq h ARG 81 N 0.24 0.51 -0.08 1.05 9.65 -1.83 -0.36 114.38 123.57 3mgq h ARG 81 Ca 0.34 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 59.05 3mgq h ARG 81 Cb 1.00 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 3mgq h ARG 81 CO -0.08 0.34 -0.60 0.45 2.80 0.00 0.00 179.97 182.88 3mgq h HIS 82 N 0.52 0.32 -0.34 2.20 3.86 -0.73 -1.51 115.15 119.47 3mgq h HIS 82 Ca 0.45 -0.12 -0.14 0.00 -1.16 0.00 0.00 60.37 59.40 3mgq h HIS 82 Cb 0.69 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 3mgq h HIS 82 CO -0.13 0.79 -0.36 -0.07 0.86 0.00 0.00 177.93 179.02 3mgq h LEU 83 N 0.19 0.84 0.62 2.43 3.38 -1.19 -1.48 115.31 120.10 3mgq h LEU 83 Ca -0.00 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3mgq h LEU 83 Cb 1.10 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.62 3mgq h LEU 83 CO 0.09 1.11 -0.30 -0.61 0.09 0.00 0.00 178.44 178.82 3mgq h GLN 84 N 0.66 -0.80 -0.55 1.13 5.75 -0.73 -0.86 115.11 119.71 3mgq h GLN 84 Ca 0.06 0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.72 3mgq h GLN 84 Cb 0.91 0.18 -0.08 0.00 1.07 0.00 0.00 27.48 29.56 3mgq h GLN 84 CO 0.08 -0.53 0.10 -0.07 -2.65 0.00 0.00 178.83 175.76 3mgq h LEU 85 N -0.84 -0.04 -0.25 -2.39 3.38 -1.34 0.23 115.31 114.07 3mgq h LEU 85 Ca -0.08 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3mgq h LEU 85 Cb 0.64 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3mgq h LEU 85 CO 0.14 -0.00 0.08 0.00 0.09 0.00 0.00 178.44 178.75 3mgq h ALA 86 N 1.45 0.27 0.10 1.53 0.00 -1.18 -1.08 119.26 120.35 3mgq h ALA 86 Ca 0.29 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3mgq h ALA 86 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3mgq h ALA 86 CO -0.39 -0.33 -0.05 0.28 0.00 0.00 0.00 179.25 178.76 3mgq h VAL 87 N 0.19 1.12 0.00 0.00 2.07 -0.70 -3.18 116.25 115.76 3mgq h VAL 87 Ca 0.11 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3mgq h VAL 87 Cb 0.08 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3mgq h VAL 87 CO -0.11 0.28 -0.08 0.03 0.02 0.00 0.00 177.57 177.71 3mgq h ARG 88 N -0.73 0.00 -0.00 1.57 2.47 -0.60 -2.13 114.38 114.96 3mgq h ARG 88 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3mgq h ARG 88 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3mgq h ARG 88 CO 0.02 0.08 -0.03 0.09 0.56 0.00 0.00 179.97 180.68 3mgq n ASN 89 N -3.34 0.05 -4.32 7.04 3.02 -0.41 -4.74 115.26 112.55 3mgq n ASN 89 Ca -0.01 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.44 3mgq n ASN 89 Cb 0.25 -0.39 -0.13 0.00 -0.61 0.00 0.00 39.78 38.90 3mgq n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mgq s ASP 90 N -2.88 4.79 0.40 6.41 2.15 -0.82 -4.98 116.67 121.75 3mgq s ASP 90 Ca 0.18 -0.59 0.18 0.00 0.43 0.00 0.00 52.55 52.74 3mgq s ASP 90 Cb 0.19 -1.82 1.08 0.00 -0.30 0.00 0.00 42.92 42.08 3mgq s ASP 90 CO 0.52 -0.12 1.81 -0.08 -0.17 0.00 0.00 175.17 177.13 3mgq h GLU 91 N 8.17 0.41 0.00 4.34 4.81 -1.85 -1.59 114.58 128.86 3mgq h GLU 91 Ca -0.35 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.75 3mgq h GLU 91 Cb 1.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3mgq h GLU 91 CO 0.59 0.27 -0.62 0.93 -0.73 0.00 0.00 179.01 179.45 3mgq h GLU 92 N 0.42 0.00 -0.43 1.92 5.08 -1.93 -2.88 114.58 116.75 3mgq h GLU 92 Ca 0.54 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.94 3mgq h GLU 92 Cb 1.34 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 3mgq h GLU 92 CO -0.24 0.90 0.20 -0.07 -1.00 0.00 0.00 179.01 178.80 3mgq h LEU 93 N -1.00 0.28 -0.96 1.33 3.38 -1.81 -1.37 115.31 115.16 3mgq h LEU 93 Ca -0.17 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.08 3mgq h LEU 93 Cb 1.07 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 3mgq h LEU 93 CO -0.10 0.20 0.51 -1.13 0.09 0.00 0.00 178.44 178.01 3mgq h ASN 94 N 0.41 0.52 0.09 -0.43 -1.24 -1.09 0.53 115.58 114.37 3mgq h ASN 94 Ca 0.19 0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.35 3mgq h ASN 94 Cb 0.12 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3mgq h ASN 94 CO -0.15 0.04 -0.04 0.50 -1.29 0.00 0.00 177.43 176.48 3mgq h LYS 95 N 0.48 -0.12 -1.05 6.67 3.64 -1.18 -0.87 116.57 124.14 3mgq h LYS 95 Ca 0.62 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 60.29 3mgq h LYS 95 Cb 1.20 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 3mgq h LYS 95 CO -0.51 0.38 0.70 1.25 -2.27 0.00 0.00 179.45 179.00 3mgq h LEU 96 N -0.70 0.33 -3.45 5.20 5.85 -0.40 0.26 115.31 122.40 3mgq h LEU 96 Ca -0.01 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.57 3mgq h LEU 96 Cb 0.55 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.47 3mgq h LEU 96 CO 0.02 0.06 0.05 0.18 -0.34 0.00 0.00 178.44 178.42 3mgq n LEU 97 N -4.52 4.55 -0.27 2.25 4.77 0.18 -4.72 117.00 119.23 3mgq n LEU 97 Ca 0.25 -3.61 0.17 0.00 -0.03 0.00 0.00 56.01 52.79 3mgq n LEU 97 Cb 0.95 -0.66 0.46 0.00 -2.33 0.00 0.00 43.42 41.84 3mgq n LEU 97 CO 0.29 1.12 1.22 1.23 -1.33 0.00 0.00 177.39 179.92 3mgq h GLY 98 N 1.20 1.11 -2.14 -0.72 0.00 0.10 -2.07 103.07 100.56 3mgq h GLY 98 Ca 0.25 -0.24 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 3mgq h GLY 98 CO 0.48 -0.01 -0.05 0.54 0.00 0.00 0.00 176.54 177.50 3mgq n ARG 99 N -4.57 1.86 -4.77 4.80 5.12 -1.26 -5.00 116.66 112.84 3mgq n ARG 99 Ca 0.20 -3.19 -0.31 0.00 -1.93 0.00 0.00 57.85 52.62 3mgq n ARG 99 Cb 0.66 -1.83 -0.13 0.00 -1.16 0.00 0.00 32.46 30.00 3mgq n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mgq s VAL 100 N -3.25 2.84 -0.19 1.55 1.01 -0.78 -5.10 120.40 116.47 3mgq s VAL 100 Ca 0.45 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3mgq s VAL 100 Cb 0.41 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 3mgq s VAL 100 CO 0.00 0.43 -0.11 -0.89 0.00 0.00 0.00 175.10 174.54 3mgq s THR 101 N -0.85 2.90 -0.27 3.92 2.01 -1.26 -5.05 115.64 117.04 3mgq s THR 101 Ca 0.13 -0.66 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 3mgq s THR 101 Cb -0.11 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.13 3mgq s THR 101 CO 0.04 0.47 0.87 -0.63 -0.69 0.00 0.00 174.62 174.68 3mgq s ILE 102 N 1.26 4.76 0.61 1.82 1.01 -1.26 -5.04 121.20 124.36 3mgq s ILE 102 Ca 0.03 1.53 -0.18 0.00 0.00 0.00 0.00 60.65 62.03 3mgq s ILE 102 Cb -0.14 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 3mgq s ILE 102 CO -0.05 -0.20 1.20 0.00 0.00 0.00 0.00 174.94 175.89 3mgq s ALA 103 N 3.03 2.49 -1.17 9.38 0.00 -1.26 -2.93 121.76 131.30 3mgq s ALA 103 Ca 0.37 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 3mgq s ALA 103 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3mgq s ALA 103 CO 0.10 -1.24 0.00 1.04 0.00 0.00 0.00 175.76 175.66 3mgq n GLN 104 N -1.78 -2.15 -0.01 0.00 1.13 -1.26 -4.81 117.38 108.50 3mgq n GLN 104 Ca 0.13 0.66 0.10 0.00 -1.94 0.00 0.00 57.00 55.95 3mgq n GLN 104 Cb 0.50 -5.27 -0.15 0.00 0.11 0.00 0.00 30.24 25.42 3mgq n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgq n GLY 105 N -0.84 -0.89 7.00 1.08 0.00 -1.15 -3.55 105.19 106.84 3mgq n GLY 105 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3mgq n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgq n GLY 106 N 1.40 0.75 3.24 -0.02 0.00 -1.26 -4.66 105.19 104.64 3mgq n GLY 106 Ca -0.03 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 3mgq n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mgq s VAL 107 N 0.00 1.01 0.26 1.61 -7.23 -1.26 -5.04 120.40 109.75 3mgq s VAL 107 Ca 0.00 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 3mgq s VAL 107 Cb 0.00 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.92 3mgq s VAL 107 CO 0.00 -0.68 1.43 -0.76 -0.31 0.00 0.00 175.10 174.78 3mgq s LEU 108 N -3.16 4.39 0.06 1.32 1.43 -1.26 -4.96 118.68 116.49 3mgq s LEU 108 Ca 0.18 2.68 -0.33 0.00 -1.03 0.00 0.00 54.13 55.63 3mgq s LEU 108 Cb 0.04 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.51 3mgq s LEU 108 CO 0.01 -0.69 1.79 -2.65 0.23 0.00 0.00 176.35 175.04 3mgq n PRO 109 N 2.20 2.41 -3.66 1.29 -0.02 -1.26 -4.95 135.00 131.01 3mgq n PRO 109 Ca 0.06 0.88 -0.06 0.00 -2.02 0.00 0.00 63.50 62.36 3mgq n PRO 109 Cb 0.40 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 3mgq n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3mgq s ASN 110 N 2.79 -0.79 -0.12 2.55 3.04 -1.26 -5.14 114.94 116.00 3mgq s ASN 110 Ca 0.85 1.32 -0.00 0.00 0.04 0.00 0.00 52.86 55.07 3mgq s ASN 110 Cb -0.61 1.61 0.03 0.00 -1.54 0.00 0.00 41.25 40.74 3mgq s ASN 110 CO 0.43 -0.22 -0.09 -0.63 -3.04 0.00 0.00 177.10 173.55 3mgq s ILE 111 N 2.27 1.13 0.20 -5.21 1.01 -1.26 -5.10 121.20 114.23 3mgq s ILE 111 Ca -0.07 -0.38 -0.32 0.00 0.00 0.00 0.00 60.65 59.88 3mgq s ILE 111 Cb -0.10 -1.14 -0.15 0.00 0.01 0.00 0.00 42.46 41.08 3mgq s ILE 111 CO -0.17 0.37 1.31 0.00 0.00 0.00 0.00 174.94 176.45 3mgq n GLN 112 N 4.91 1.63 -0.25 2.79 1.13 -1.26 -4.85 117.38 121.48 3mgq n GLN 112 Ca -0.13 0.58 -0.01 0.00 -1.94 0.00 0.00 57.00 55.50 3mgq n GLN 112 Cb 0.50 -2.18 0.20 0.00 0.11 0.00 0.00 30.24 28.87 3mgq n GLN 112 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3mgq h SER 113 N 3.98 0.93 0.16 1.08 4.64 -1.99 -0.97 113.55 121.39 3mgq h SER 113 Ca -0.44 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3mgq h SER 113 Cb 1.31 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3mgq h SER 113 CO 0.74 0.70 0.00 0.55 -0.87 0.00 0.00 176.83 177.96 3mgq n VAL 114 N -4.39 1.29 0.93 0.95 3.14 -1.26 -1.71 118.33 117.28 3mgq n VAL 114 Ca 0.09 0.54 0.12 0.00 -2.96 0.00 0.00 64.34 62.12 3mgq n VAL 114 Cb 0.05 -1.50 0.24 0.00 -1.06 0.00 0.00 33.84 31.57 3mgq n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3mgq n LEU 115 N -1.96 0.52 -4.77 6.55 4.77 -0.37 -4.95 117.00 116.79 3mgq n LEU 115 Ca 0.00 0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.66 3mgq n LEU 115 Cb 0.07 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3mgq n LEU 115 CO 0.09 0.10 0.83 -0.76 -1.33 0.00 0.00 177.39 176.31 3mgq s LEU 116 N -3.19 3.87 0.44 2.23 1.43 -0.69 -4.94 118.68 117.83 3mgq s LEU 116 Ca 0.10 2.31 -0.23 0.00 -1.03 0.00 0.00 54.13 55.28 3mgq s LEU 116 Cb 0.17 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.89 3mgq s LEU 116 CO 0.70 -1.15 0.92 -2.65 0.23 0.00 0.00 176.35 174.40 3mgq n PRO 117 N -0.93 1.16 -0.54 1.29 -0.02 -1.26 -5.12 135.00 129.59 3mgq n PRO 117 Ca 0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3mgq n PRO 117 Cb 0.49 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3mgq n PRO 117 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84