#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgp n ALA 14 N 0.00 0.00 -2.70 7.82 0.00 -1.26 -5.02 120.51 119.36 3mgp n ALA 14 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3mgp n ALA 14 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3mgp n ALA 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mgp s LYS 15 N 0.29 3.00 0.65 0.00 -0.14 -1.26 -5.10 119.74 117.18 3mgp s LYS 15 Ca 0.00 -0.41 -0.18 0.00 -1.36 0.00 0.00 55.97 54.02 3mgp s LYS 15 Cb 0.00 -2.81 -0.02 0.00 -1.68 0.00 0.00 37.83 33.32 3mgp s LYS 15 CO 0.00 0.70 1.15 0.25 -0.76 0.00 0.00 175.35 176.69 3mgp n THR 16 N 2.01 4.28 0.29 2.17 -2.24 -1.26 -4.91 114.28 114.62 3mgp n THR 16 Ca -0.18 -0.48 0.17 0.00 -2.27 0.00 0.00 64.05 61.29 3mgp n THR 16 Cb 0.54 -1.33 0.82 0.00 -2.10 0.00 0.00 70.33 68.25 3mgp n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3mgp h ARG 17 N 0.36 0.00 0.09 -0.78 3.08 -1.99 -2.71 114.38 112.44 3mgp h ARG 17 Ca -0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 3mgp h ARG 17 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 3mgp h ARG 17 CO 0.51 0.05 -0.04 0.77 -1.07 0.00 0.00 179.97 180.19 3mgp h SER 18 N 0.00 -0.10 0.32 7.04 0.02 -1.86 -2.73 113.55 116.24 3mgp h SER 18 Ca -0.00 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 3mgp h SER 18 Cb 0.35 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3mgp h SER 18 CO 0.01 0.22 -0.38 0.77 -1.14 0.00 0.00 176.83 176.31 3mgp h SER 19 N -0.43 0.09 0.06 3.07 4.64 -1.69 0.33 113.55 119.61 3mgp h SER 19 Ca -0.01 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3mgp h SER 19 Cb 0.37 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3mgp h SER 19 CO 0.02 0.47 -0.03 0.03 -0.87 0.00 0.00 176.83 176.44 3mgp h ARG 20 N 0.07 0.00 0.00 4.77 3.08 -1.48 -2.72 114.38 118.11 3mgp h ARG 20 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3mgp h ARG 20 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3mgp h ARG 20 CO 0.05 0.03 -1.43 0.00 -1.07 0.00 0.00 179.97 177.55 3mgp n ALA 21 N -2.39 3.71 -1.23 0.04 0.00 -0.23 -4.98 120.51 115.43 3mgp n ALA 21 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3mgp n ALA 21 Cb 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3mgp n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgp n GLY 22 N 1.40 1.02 3.35 0.00 0.00 0.86 -5.05 105.19 106.77 3mgp n GLY 22 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3mgp n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgp s LEU 23 N -0.08 2.19 0.38 0.99 1.43 0.41 -4.98 118.68 119.02 3mgp s LEU 23 Ca 0.00 -0.57 0.20 0.00 -1.03 0.00 0.00 54.13 52.73 3mgp s LEU 23 Cb 0.00 -1.31 0.23 0.00 0.03 0.00 0.00 46.19 45.15 3mgp s LEU 23 CO 0.00 0.26 1.54 1.56 0.23 0.00 0.00 176.35 179.94 3mgp h GLN 24 N 4.81 0.00 -6.26 1.70 1.08 -1.96 -3.37 115.11 111.11 3mgp h GLN 24 Ca -0.46 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.17 3mgp h GLN 24 Cb 1.14 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.53 3mgp h GLN 24 CO 0.44 0.19 -0.08 -0.06 -0.95 0.00 0.00 178.83 178.36 3mgp s PHE 25 N -3.12 3.69 -0.52 2.96 0.40 -1.26 -5.00 117.98 115.13 3mgp s PHE 25 Ca 0.06 1.13 -0.28 0.00 -0.60 0.00 0.00 56.93 57.23 3mgp s PHE 25 Cb 0.06 -2.40 0.02 0.00 0.51 0.00 0.00 43.02 41.20 3mgp s PHE 25 CO 0.70 0.51 1.37 -1.25 0.70 0.00 0.00 175.22 177.25 3mgp s PRO 26 N -1.57 3.42 0.19 0.24 0.04 -1.26 -4.74 135.00 131.32 3mgp s PRO 26 Ca 0.33 0.57 -0.08 0.00 0.04 0.00 0.00 61.00 61.86 3mgp s PRO 26 Cb -0.17 -4.07 0.09 0.00 0.04 0.00 0.00 34.50 30.39 3mgp s PRO 26 CO 0.18 -1.78 1.60 0.28 0.04 0.00 0.00 177.00 177.33 3mgp h VAL 27 N 6.37 1.27 -0.33 -0.36 2.07 -1.90 -1.84 116.25 121.52 3mgp h VAL 27 Ca -0.26 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 3mgp h VAL 27 Cb 1.09 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3mgp h VAL 27 CO 1.15 0.45 0.19 1.23 0.02 0.00 0.00 177.57 180.61 3mgp h GLY 28 N 0.93 0.49 0.94 2.17 0.00 -1.94 -0.54 103.07 105.12 3mgp h GLY 28 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3mgp h GLY 28 CO 0.05 0.21 -0.09 -0.09 0.00 0.00 0.00 176.54 176.62 3mgp h ARG 29 N 0.42 -0.25 -0.96 4.80 2.43 -1.96 -1.50 114.38 117.37 3mgp h ARG 29 Ca 0.12 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 3mgp h ARG 29 Cb 0.04 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 3mgp h ARG 29 CO -0.02 -0.11 0.61 0.28 -1.51 0.00 0.00 179.97 179.22 3mgp h VAL 30 N -0.33 1.05 -0.28 0.20 2.07 -1.27 0.94 116.25 118.63 3mgp h VAL 30 Ca -0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3mgp h VAL 30 Cb 0.25 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3mgp h VAL 30 CO 0.04 0.20 0.13 -0.74 0.02 0.00 0.00 177.57 177.23 3mgp h HIS 31 N 1.09 0.41 -0.44 1.57 -0.00 -0.98 -1.74 115.15 115.06 3mgp h HIS 31 Ca 0.42 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.77 3mgp h HIS 31 Cb 0.22 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 3mgp h HIS 31 CO -0.01 0.37 0.26 -0.09 -0.00 0.00 0.00 177.93 178.46 3mgp h ARG 32 N 0.32 0.60 0.00 5.26 2.43 -0.40 -2.58 114.38 120.00 3mgp h ARG 32 Ca 0.10 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3mgp h ARG 32 Cb 0.12 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3mgp h ARG 32 CO -0.01 0.45 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.59 3mgp h LEU 33 N 0.57 0.00 -0.54 3.80 3.38 -0.72 -0.36 115.31 121.45 3mgp h LEU 33 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3mgp h LEU 33 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3mgp h LEU 33 CO -0.03 0.24 -0.52 -0.07 0.09 0.00 0.00 178.44 178.15 3mgp h LEU 34 N 0.00 0.00 0.10 1.67 3.38 -0.94 -2.77 115.31 116.74 3mgp h LEU 34 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3mgp h LEU 34 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3mgp h LEU 34 CO 0.03 0.52 -0.05 0.03 0.09 0.00 0.00 178.44 179.06 3mgp h ARG 35 N 0.00 -0.13 0.00 1.13 3.08 -1.08 -3.32 114.38 114.07 3mgp h ARG 35 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mgp h ARG 35 Cb 1.17 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3mgp h ARG 35 CO 0.07 0.09 0.12 1.57 -1.07 0.00 0.00 179.97 180.75 3mgp h LYS 36 N -1.01 0.00 -0.01 0.04 2.10 -1.17 -2.87 116.57 113.65 3mgp h LYS 36 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3mgp h LYS 36 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3mgp h LYS 36 CO 0.02 0.00 -0.24 0.41 -2.00 0.00 0.00 179.45 177.64 3mgp n GLY 37 N -1.24 -0.52 3.13 0.07 0.00 -1.05 -4.97 105.19 100.62 3mgp n GLY 37 Ca -0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 3mgp n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgp n ASN 38 N -0.53 -2.89 -0.09 1.61 5.03 -1.08 -4.94 115.26 112.36 3mgp n ASN 38 Ca 0.13 -0.52 -0.12 0.00 0.87 0.00 0.00 54.58 54.94 3mgp n ASN 38 Cb 0.36 -4.45 -0.15 0.00 -1.02 0.00 0.00 39.78 34.51 3mgp n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3mgp n TYR 39 N -3.91 0.16 -3.72 3.10 4.02 -1.26 -5.00 117.16 110.55 3mgp n TYR 39 Ca -0.19 0.05 -0.09 0.00 -0.01 0.00 0.00 57.90 57.66 3mgp n TYR 39 Cb 0.62 -1.03 -0.03 0.00 -0.02 0.00 0.00 39.34 38.89 3mgp n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mgp s ALA 40 N -2.51 -1.20 0.36 -0.72 0.00 -1.26 -5.03 121.76 111.39 3mgp s ALA 40 Ca -0.14 -0.10 0.08 0.00 0.00 0.00 0.00 51.96 51.79 3mgp s ALA 40 Cb 0.07 0.87 0.79 0.00 0.00 0.00 0.00 23.12 24.85 3mgp s ALA 40 CO 0.79 -0.90 1.90 1.49 0.00 0.00 0.00 175.76 179.04 3mgp h GLU 41 N 2.06 0.70 -4.81 0.00 4.81 -1.98 -3.45 114.58 111.91 3mgp h GLU 41 Ca -0.26 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 58.64 3mgp h GLU 41 Cb 1.27 -0.16 -0.18 0.00 0.63 0.00 0.00 28.75 30.32 3mgp h GLU 41 CO 0.31 0.46 -0.72 1.03 -0.73 0.00 0.00 179.01 179.36 3mgp s ARG 42 N -5.68 0.79 -0.14 1.92 0.52 -1.26 -5.14 118.95 109.96 3mgp s ARG 42 Ca -0.10 -1.13 -0.03 0.00 -0.52 0.00 0.00 55.73 53.95 3mgp s ARG 42 Cb 0.21 -0.41 0.05 0.00 0.52 0.00 0.00 34.95 35.32 3mgp s ARG 42 CO 0.78 0.05 0.05 0.08 0.02 0.00 0.00 175.30 176.28 3mgp s VAL 43 N -2.57 0.20 0.72 3.52 1.01 -1.26 -5.06 120.40 116.97 3mgp s VAL 43 Ca 0.04 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 3mgp s VAL 43 Cb -0.02 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.75 3mgp s VAL 43 CO -0.01 -0.08 1.20 -0.83 0.00 0.00 0.00 175.10 175.37 3mgp s GLY 44 N 2.02 2.32 0.48 4.51 0.00 -1.26 -4.94 107.32 110.46 3mgp s GLY 44 Ca 0.02 0.84 0.14 0.00 0.00 0.00 0.00 44.72 45.72 3mgp s GLY 44 CO -0.07 1.24 2.10 0.00 0.00 0.00 0.00 173.10 176.38 3mgp h ALA 45 N -0.27 1.88 0.00 3.20 0.00 -2.04 -3.08 119.26 118.94 3mgp h ALA 45 Ca -0.47 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 3mgp h ALA 45 Cb 1.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3mgp h ALA 45 CO 0.50 0.10 -0.93 0.78 0.00 0.00 0.00 179.25 179.70 3mgp h GLY 46 N 0.21 0.00 0.94 0.00 0.00 -2.02 -3.38 103.07 98.82 3mgp h GLY 46 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3mgp h GLY 46 CO -0.00 0.00 0.21 0.00 0.00 0.00 0.00 176.54 176.75 3mgp h ALA 47 N 1.09 0.44 -0.64 3.60 0.00 -1.93 -0.65 119.26 121.17 3mgp h ALA 47 Ca -0.02 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3mgp h ALA 47 Cb 1.70 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3mgp h ALA 47 CO 0.12 -0.13 0.43 -1.00 0.00 0.00 0.00 179.25 178.66 3mgp h PRO 48 N 0.44 0.57 0.47 0.00 0.13 -1.75 -0.16 132.00 131.70 3mgp h PRO 48 Ca 0.14 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3mgp h PRO 48 Cb -0.01 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 3mgp h PRO 48 CO -0.06 0.38 -0.23 0.28 -0.23 0.00 0.00 178.00 178.14 3mgp h VAL 49 N 0.59 0.42 -0.53 1.56 2.07 -1.55 -0.93 116.25 117.88 3mgp h VAL 49 Ca 0.29 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.48 3mgp h VAL 49 Cb 0.36 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3mgp h VAL 49 CO -0.09 0.06 0.08 0.22 0.02 0.00 0.00 177.57 177.87 3mgp h TYR 50 N -0.93 0.12 -0.28 1.57 3.20 -0.93 -1.45 116.97 118.27 3mgp h TYR 50 Ca -0.07 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.68 3mgp h TYR 50 Cb 0.59 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 3mgp h TYR 50 CO 0.01 -0.04 -0.45 1.25 -1.64 0.00 0.00 178.16 177.29 3mgp h LEU 51 N 0.21 0.87 -0.58 2.82 5.85 -1.04 -1.66 115.31 121.78 3mgp h LEU 51 Ca 0.27 -0.52 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3mgp h LEU 51 Cb 0.39 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3mgp h LEU 51 CO -0.38 1.22 0.29 0.00 -0.34 0.00 0.00 178.44 179.23 3mgp h ALA 52 N 0.67 0.76 -0.49 1.25 0.00 -0.91 -0.66 119.26 119.87 3mgp h ALA 52 Ca 0.02 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3mgp h ALA 52 Cb 1.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3mgp h ALA 52 CO 0.10 -0.07 0.28 0.00 0.00 0.00 0.00 179.25 179.56 3mgp h ALA 53 N 1.33 0.63 -0.53 0.00 0.00 -1.06 -0.41 119.26 119.21 3mgp h ALA 53 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3mgp h ALA 53 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3mgp h ALA 53 CO -0.20 -0.04 0.21 0.28 0.00 0.00 0.00 179.25 179.49 3mgp h VAL 54 N 0.55 1.22 -0.59 0.00 2.07 -1.10 -0.89 116.25 117.51 3mgp h VAL 54 Ca 0.20 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3mgp h VAL 54 Cb 0.06 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3mgp h VAL 54 CO -0.11 0.27 0.37 -0.07 0.02 0.00 0.00 177.57 178.04 3mgp h LEU 55 N 0.73 0.70 -0.27 2.57 3.38 -0.88 -2.19 115.31 119.35 3mgp h LEU 55 Ca 0.18 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3mgp h LEU 55 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3mgp h LEU 55 CO -0.01 0.54 0.05 -0.08 0.09 0.00 0.00 178.44 179.03 3mgp h GLU 56 N 0.80 0.44 -0.12 1.13 4.81 -0.95 -2.10 114.58 118.59 3mgp h GLU 56 Ca 0.21 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3mgp h GLU 56 Cb -0.04 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3mgp h GLU 56 CO -0.04 0.55 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.68 3mgp h TYR 57 N 0.26 -0.49 -0.59 0.92 3.20 -1.07 0.11 116.97 119.31 3mgp h TYR 57 Ca 0.08 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3mgp h TYR 57 Cb 0.32 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3mgp h TYR 57 CO 0.02 -0.27 0.02 -0.07 -1.64 0.00 0.00 178.16 176.22 3mgp h LEU 58 N -0.24 0.98 -0.31 2.82 3.38 -1.32 0.99 115.31 121.61 3mgp h LEU 58 Ca 0.10 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3mgp h LEU 58 Cb 0.38 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3mgp h LEU 58 CO -0.27 1.03 -0.26 0.74 0.09 0.00 0.00 178.44 179.77 3mgp h THR 59 N 0.93 0.34 -0.51 0.22 2.02 -1.19 -1.10 112.91 113.63 3mgp h THR 59 Ca 0.17 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 3mgp h THR 59 Cb 0.52 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3mgp h THR 59 CO 0.03 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.19 3mgp h ALA 60 N 0.83 0.65 -0.60 6.16 0.00 0.06 -0.86 119.26 125.51 3mgp h ALA 60 Ca 0.16 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3mgp h ALA 60 Cb 0.48 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3mgp h ALA 60 CO -0.45 -0.06 0.28 1.49 0.00 0.00 0.00 179.25 180.51 3mgp h GLU 61 N 0.54 0.49 -0.03 0.00 4.57 -0.63 -0.44 114.58 119.09 3mgp h GLU 61 Ca 0.22 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.19 3mgp h GLU 61 Cb 0.10 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3mgp h GLU 61 CO -0.13 0.33 -0.68 0.82 -1.18 0.00 0.00 179.01 178.16 3mgp h ILE 62 N 0.51 1.38 -0.36 2.32 2.04 -0.80 -2.95 117.51 119.65 3mgp h ILE 62 Ca 0.28 -2.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 3mgp h ILE 62 Cb 0.26 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 3mgp h ILE 62 CO -0.23 0.61 0.19 -0.07 0.00 0.00 0.00 178.15 178.65 3mgp h LEU 63 N 0.06 0.46 -0.25 1.44 3.38 -1.13 -1.54 115.31 117.73 3mgp h LEU 63 Ca -0.08 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3mgp h LEU 63 Cb 1.36 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3mgp h LEU 63 CO 0.13 0.44 -0.19 -0.08 0.09 0.00 0.00 178.44 178.83 3mgp h GLU 64 N 0.45 -0.06 0.00 1.13 4.57 -1.14 0.56 114.58 120.09 3mgp h GLU 64 Ca 0.12 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 3mgp h GLU 64 Cb 0.09 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3mgp h GLU 64 CO -0.02 -0.04 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.51 3mgp h LEU 65 N -0.06 0.00 0.00 1.64 3.38 -1.42 -0.12 115.31 118.73 3mgp h LEU 65 Ca 0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 3mgp h LEU 65 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3mgp h LEU 65 CO -0.26 0.20 -1.23 0.00 0.09 0.00 0.00 178.44 177.23 3mgp h ALA 66 N 1.80 0.52 0.27 1.53 0.00 -1.08 -1.02 119.26 121.28 3mgp h ALA 66 Ca -0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 53.81 3mgp h ALA 66 Cb 0.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mgp h ALA 66 CO 0.03 1.33 -0.13 0.78 0.00 0.00 0.00 179.25 181.26 3mgp h GLY 67 N 3.21 -0.38 -0.07 0.00 0.00 0.81 -0.76 103.07 105.88 3mgp h GLY 67 Ca -0.11 0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.49 3mgp h GLY 67 CO 0.11 -0.14 -0.04 3.43 0.00 0.00 0.00 176.54 179.90 3mgp h ASN 68 N -0.40 -0.34 -1.00 0.19 2.35 -1.03 -1.71 115.58 113.63 3mgp h ASN 68 Ca -0.04 0.16 0.06 0.00 -0.55 0.00 0.00 56.30 55.93 3mgp h ASN 68 Cb 0.31 0.29 -0.07 0.00 0.05 0.00 0.00 38.32 38.90 3mgp h ASN 68 CO 0.06 -0.13 0.65 0.00 -1.65 0.00 0.00 177.43 176.36 3mgp h ALA 69 N 1.56 1.39 -0.18 -0.83 0.00 -1.00 -1.26 119.26 118.94 3mgp h ALA 69 Ca 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3mgp h ALA 69 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3mgp h ALA 69 CO -0.54 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.22 3mgp h ALA 70 N 1.45 0.23 0.45 0.00 0.00 -0.45 -2.96 119.26 117.98 3mgp h ALA 70 Ca 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3mgp h ALA 70 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3mgp h ALA 70 CO -0.17 -0.15 -0.50 -0.09 0.00 0.00 0.00 179.25 178.34 3mgp h ARG 71 N 0.11 -0.93 -1.35 0.00 2.43 -0.88 -1.11 114.38 112.65 3mgp h ARG 71 Ca 0.06 0.06 0.41 0.00 -0.81 0.00 0.00 59.98 59.70 3mgp h ARG 71 Cb 0.22 0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 29.89 3mgp h ARG 71 CO -0.00 -0.62 0.92 -0.44 -1.51 0.00 0.00 179.97 178.32 3mgp h ASP 72 N -0.96 0.18 -0.65 -3.80 3.32 -1.22 1.54 116.42 114.83 3mgp h ASP 72 Ca -0.05 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3mgp h ASP 72 Cb 0.85 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3mgp h ASP 72 CO -0.09 -0.05 0.00 0.59 -1.72 0.00 0.00 179.24 177.97 3mgp n ASN 73 N -4.42 4.46 -2.73 6.45 3.02 -0.93 -4.96 115.26 116.15 3mgp n ASN 73 Ca 0.33 -2.34 -0.12 0.00 -0.03 0.00 0.00 54.58 52.43 3mgp n ASN 73 Cb 1.38 -0.55 0.06 0.00 -0.61 0.00 0.00 39.78 40.06 3mgp n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mgp n LYS 74 N 1.21 -3.49 -3.85 3.52 4.76 0.53 -5.04 118.16 115.79 3mgp n LYS 74 Ca 0.25 0.61 -0.11 0.00 -2.87 0.00 0.00 58.31 56.19 3mgp n LYS 74 Cb 0.81 -4.77 -0.09 0.00 -1.84 0.00 0.00 35.03 29.14 3mgp n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3mgp s LYS 75 N -4.58 0.65 -0.00 1.97 1.02 -0.47 -5.01 119.74 113.31 3mgp s LYS 75 Ca 0.13 -0.57 0.10 0.00 0.02 0.00 0.00 55.97 55.65 3mgp s LYS 75 Cb -0.02 0.27 -0.12 0.00 -0.52 0.00 0.00 37.83 37.44 3mgp s LYS 75 CO 0.52 -0.18 0.37 0.25 -0.92 0.00 0.00 175.35 175.39 3mgp n THR 76 N 0.87 0.00 -4.51 2.17 -2.24 -1.26 -3.40 114.28 105.91 3mgp n THR 76 Ca -0.20 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 3mgp n THR 76 Cb 0.58 0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 3mgp n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3mgp s ARG 77 N -2.10 3.54 -0.27 -0.78 3.52 -1.26 -5.06 118.95 116.54 3mgp s ARG 77 Ca 0.02 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.77 3mgp s ARG 77 Cb 0.07 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 3mgp s ARG 77 CO 0.40 0.27 1.19 0.42 -0.81 0.00 0.00 175.30 176.78 3mgp s ILE 78 N 0.27 4.35 0.30 4.11 1.01 -1.26 -4.94 121.20 125.03 3mgp s ILE 78 Ca -0.05 1.57 0.07 0.00 0.00 0.00 0.00 60.65 62.25 3mgp s ILE 78 Cb -0.14 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3mgp s ILE 78 CO 0.04 -0.37 0.27 0.27 0.00 0.00 0.00 174.94 175.15 3mgp s ILE 79 N 3.82 3.98 0.55 2.92 -4.36 -1.26 -5.01 121.20 121.83 3mgp s ILE 79 Ca 0.51 -1.34 0.27 0.00 -0.26 0.00 0.00 60.65 59.84 3mgp s ILE 79 Cb -0.16 -3.31 0.41 0.00 1.25 0.00 0.00 42.46 40.65 3mgp s ILE 79 CO 0.17 -0.24 1.97 -0.65 0.24 0.00 0.00 174.94 176.42 3mgp h PRO 80 N 1.30 0.00 -0.94 0.37 0.11 -1.88 0.21 132.00 131.18 3mgp h PRO 80 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 3mgp h PRO 80 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 3mgp h PRO 80 CO 0.59 0.00 0.60 -0.09 -0.21 0.00 0.00 178.00 178.89 3mgp h ARG 81 N 0.00 0.84 -0.08 1.05 9.65 -1.81 -0.75 114.38 123.28 3mgp h ARG 81 Ca 0.27 -0.05 -0.21 0.00 -1.10 0.00 0.00 59.98 58.89 3mgp h ARG 81 Cb 1.14 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 3mgp h ARG 81 CO -0.00 0.55 -0.79 0.45 2.80 0.00 0.00 179.97 182.98 3mgp h HIS 82 N 0.86 0.71 -0.44 2.20 3.86 -0.92 -1.34 115.15 120.08 3mgp h HIS 82 Ca 0.46 -0.33 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 3mgp h HIS 82 Cb 0.55 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3mgp h HIS 82 CO -0.00 1.12 -0.03 -0.07 0.86 0.00 0.00 177.93 179.81 3mgp h LEU 83 N 0.34 0.71 -0.15 2.43 3.38 -1.37 -0.32 115.31 120.34 3mgp h LEU 83 Ca -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3mgp h LEU 83 Cb 1.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3mgp h LEU 83 CO 0.14 0.80 0.02 -0.61 0.09 0.00 0.00 178.44 178.88 3mgp h GLN 84 N 0.68 0.25 -0.18 1.13 5.75 -0.87 -1.96 115.11 119.92 3mgp h GLN 84 Ca 0.13 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3mgp h GLN 84 Cb 0.47 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 3mgp h GLN 84 CO 0.02 0.45 0.10 -0.07 -2.65 0.00 0.00 178.83 176.68 3mgp h LEU 85 N 0.01 0.22 -0.29 -2.39 3.38 -1.20 -1.11 115.31 113.92 3mgp h LEU 85 Ca 0.04 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3mgp h LEU 85 Cb 0.33 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3mgp h LEU 85 CO 0.00 0.24 -0.25 0.00 0.09 0.00 0.00 178.44 178.52 3mgp h ALA 86 N 0.99 -0.11 -0.11 1.53 0.00 -1.04 -1.45 119.26 119.07 3mgp h ALA 86 Ca 0.06 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3mgp h ALA 86 Cb 0.07 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3mgp h ALA 86 CO -0.01 -0.66 -0.20 0.28 0.00 0.00 0.00 179.25 178.65 3mgp h VAL 87 N -0.23 1.38 0.00 0.00 2.07 -1.27 -3.17 116.25 115.03 3mgp h VAL 87 Ca 0.15 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 66.10 3mgp h VAL 87 Cb 0.47 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3mgp h VAL 87 CO -0.43 0.43 -0.50 0.03 0.02 0.00 0.00 177.57 177.11 3mgp h ARG 88 N -0.09 0.00 -0.00 1.57 2.47 -1.15 -2.62 114.38 114.56 3mgp h ARG 88 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3mgp h ARG 88 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3mgp h ARG 88 CO 0.05 0.50 -0.03 0.09 0.56 0.00 0.00 179.97 181.14 3mgp n ASN 89 N -3.67 0.16 -4.29 7.04 3.02 -0.55 -4.69 115.26 112.28 3mgp n ASN 89 Ca -0.01 -0.48 -0.35 0.00 -0.03 0.00 0.00 54.58 53.72 3mgp n ASN 89 Cb 0.57 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 3mgp n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mgp s ASP 90 N -2.41 4.10 0.32 6.41 2.15 -1.11 -5.02 116.67 121.11 3mgp s ASP 90 Ca 0.33 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.91 3mgp s ASP 90 Cb 0.21 -1.69 0.58 0.00 -0.30 0.00 0.00 42.92 41.71 3mgp s ASP 90 CO 0.44 -0.00 1.93 -0.08 -0.17 0.00 0.00 175.17 177.29 3mgp h GLU 91 N 7.96 0.94 0.14 4.34 4.81 -1.83 -0.90 114.58 130.04 3mgp h GLU 91 Ca -0.41 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 58.51 3mgp h GLU 91 Cb 1.16 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.34 3mgp h GLU 91 CO 0.61 0.62 -1.23 0.93 -0.73 0.00 0.00 179.01 179.21 3mgp h GLU 92 N 0.96 0.30 -0.49 1.92 5.08 -1.95 -2.47 114.58 117.92 3mgp h GLU 92 Ca 0.36 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3mgp h GLU 92 Cb 0.19 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3mgp h GLU 92 CO -0.13 1.24 0.05 -0.07 -1.00 0.00 0.00 179.01 179.11 3mgp h LEU 93 N -0.27 0.74 -0.89 1.33 3.38 -1.80 -1.66 115.31 116.14 3mgp h LEU 93 Ca -0.25 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 3mgp h LEU 93 Cb 1.77 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3mgp h LEU 93 CO 0.12 0.77 -0.05 -1.13 0.09 0.00 0.00 178.44 178.24 3mgp h ASN 94 N 0.74 0.74 -0.13 -0.43 -1.24 -0.78 -1.15 115.58 113.33 3mgp h ASN 94 Ca 0.15 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 3mgp h ASN 94 Cb 0.37 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 3mgp h ASN 94 CO 0.01 0.84 -0.10 0.50 -1.29 0.00 0.00 177.43 177.39 3mgp h LYS 95 N 0.70 0.30 -0.70 6.67 3.64 -1.26 -1.73 116.57 124.20 3mgp h LYS 95 Ca 0.13 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3mgp h LYS 95 Cb 0.50 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 3mgp h LYS 95 CO 0.03 0.66 0.46 1.25 -2.27 0.00 0.00 179.45 179.58 3mgp h LEU 96 N -0.07 0.62 -3.67 5.20 5.85 -1.19 -1.92 115.31 120.12 3mgp h LEU 96 Ca 0.03 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.38 3mgp h LEU 96 Cb 0.59 -0.13 -0.22 0.00 0.37 0.00 0.00 40.66 41.28 3mgp h LEU 96 CO 0.03 0.40 0.24 0.18 -0.34 0.00 0.00 178.44 178.95 3mgp n LEU 97 N -4.48 5.48 0.26 2.25 4.77 -0.45 -4.71 117.00 120.13 3mgp n LEU 97 Ca 0.10 -3.82 0.11 0.00 -0.03 0.00 0.00 56.01 52.36 3mgp n LEU 97 Cb 0.24 -0.73 0.72 0.00 -2.33 0.00 0.00 43.42 41.32 3mgp n LEU 97 CO 0.34 1.26 1.03 1.23 -1.33 0.00 0.00 177.39 179.91 3mgp h GLY 98 N 1.15 0.00 -2.46 -0.72 0.00 -0.47 -2.62 103.07 97.95 3mgp h GLY 98 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.49 3mgp h GLY 98 CO 0.79 0.00 0.02 0.54 0.00 0.00 0.00 176.54 177.89 3mgp n ARG 99 N -4.07 1.98 -4.64 4.80 5.12 -1.26 -5.00 116.66 113.59 3mgp n ARG 99 Ca -0.03 -3.22 -0.28 0.00 -1.93 0.00 0.00 57.85 52.40 3mgp n ARG 99 Cb 0.15 -1.90 -0.14 0.00 -1.16 0.00 0.00 32.46 29.41 3mgp n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mgp s VAL 100 N -3.37 1.99 -0.12 1.55 1.01 -0.99 -5.13 120.40 115.33 3mgp s VAL 100 Ca 0.47 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3mgp s VAL 100 Cb 0.42 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3mgp s VAL 100 CO 0.01 0.20 -0.19 -0.89 0.00 0.00 0.00 175.10 174.24 3mgp s THR 101 N -0.91 2.43 -0.31 3.92 2.01 -1.26 -5.05 115.64 116.48 3mgp s THR 101 Ca 0.10 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 3mgp s THR 101 Cb -0.10 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 3mgp s THR 101 CO 0.03 0.54 0.37 -0.63 -0.69 0.00 0.00 174.62 174.24 3mgp s ILE 102 N 0.51 5.17 0.33 1.82 1.01 -1.26 -5.04 121.20 123.73 3mgp s ILE 102 Ca -0.12 0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 3mgp s ILE 102 Cb -0.17 -3.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 3mgp s ILE 102 CO 0.05 0.02 1.30 0.00 0.00 0.00 0.00 174.94 176.31 3mgp s ALA 103 N 2.05 3.50 -1.42 9.38 0.00 -1.26 -2.78 121.76 131.24 3mgp s ALA 103 Ca 0.13 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.29 3mgp s ALA 103 Cb -0.16 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3mgp s ALA 103 CO 0.11 -0.62 0.72 1.04 0.00 0.00 0.00 175.76 177.01 3mgp n GLN 104 N 0.86 -4.59 -0.02 0.00 1.13 -1.26 -4.82 117.38 108.67 3mgp n GLN 104 Ca 0.00 0.55 0.03 0.00 -1.94 0.00 0.00 57.00 55.64 3mgp n GLN 104 Cb 0.42 -5.11 -0.10 0.00 0.11 0.00 0.00 30.24 25.56 3mgp n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgp n GLY 105 N -1.69 -0.61 7.00 1.08 0.00 -1.12 -3.20 105.19 106.65 3mgp n GLY 105 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3mgp n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgp n GLY 106 N 1.87 0.62 3.45 -0.02 0.00 -1.26 -4.64 105.19 105.21 3mgp n GLY 106 Ca -0.07 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 3mgp n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mgp s VAL 107 N 0.00 1.76 0.20 1.61 -7.23 -1.26 -5.03 120.40 110.46 3mgp s VAL 107 Ca 0.00 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.73 3mgp s VAL 107 Cb 0.00 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3mgp s VAL 107 CO 0.00 -0.28 1.27 -0.76 -0.31 0.00 0.00 175.10 175.01 3mgp s LEU 108 N -3.47 4.43 -0.35 1.32 1.43 -1.26 -4.96 118.68 115.82 3mgp s LEU 108 Ca 0.30 2.35 -0.33 0.00 -1.03 0.00 0.00 54.13 55.42 3mgp s LEU 108 Cb 0.03 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 3mgp s LEU 108 CO 0.13 -0.47 2.23 -2.65 0.23 0.00 0.00 176.35 175.83 3mgp n PRO 109 N 2.48 1.25 -3.68 1.29 -0.02 -1.26 -4.93 135.00 130.14 3mgp n PRO 109 Ca 0.05 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.72 3mgp n PRO 109 Cb 0.43 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 3mgp n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3mgp s ASN 110 N 8.00 0.09 -0.11 2.55 3.04 -1.26 -5.14 114.94 122.11 3mgp s ASN 110 Ca 1.08 0.62 0.01 0.00 0.04 0.00 0.00 52.86 54.60 3mgp s ASN 110 Cb -0.69 0.67 0.02 0.00 -1.54 0.00 0.00 41.25 39.71 3mgp s ASN 110 CO 0.44 -0.22 -0.11 -0.63 -3.04 0.00 0.00 177.10 173.54 3mgp s ILE 111 N 2.06 1.22 0.23 -5.21 1.01 -1.26 -5.12 121.20 114.13 3mgp s ILE 111 Ca -0.02 -0.44 -0.32 0.00 0.00 0.00 0.00 60.65 59.87 3mgp s ILE 111 Cb -0.11 -1.17 -0.13 0.00 0.01 0.00 0.00 42.46 41.05 3mgp s ILE 111 CO -0.09 0.39 1.47 0.00 0.00 0.00 0.00 174.94 176.72 3mgp n GLN 112 N 4.59 2.15 0.20 2.79 1.13 -1.26 -4.89 117.38 122.09 3mgp n GLN 112 Ca -0.16 0.77 0.07 0.00 -1.94 0.00 0.00 57.00 55.73 3mgp n GLN 112 Cb 0.50 -2.47 0.58 0.00 0.11 0.00 0.00 30.24 28.96 3mgp n GLN 112 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3mgp h SER 113 N 4.71 0.11 0.84 1.08 4.64 -1.99 -1.38 113.55 121.55 3mgp h SER 113 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3mgp h SER 113 Cb 1.26 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3mgp h SER 113 CO 0.79 0.10 0.00 0.55 -0.87 0.00 0.00 176.83 177.40 3mgp n VAL 114 N -4.50 0.79 0.50 0.95 3.14 -1.26 -2.33 118.33 115.61 3mgp n VAL 114 Ca -0.02 0.15 0.11 0.00 -2.96 0.00 0.00 64.34 61.63 3mgp n VAL 114 Cb 0.10 -1.07 0.06 0.00 -1.06 0.00 0.00 33.84 31.87 3mgp n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3mgp n LEU 115 N -2.23 0.64 -4.77 6.55 4.77 -0.52 -4.95 117.00 116.50 3mgp n LEU 115 Ca 0.03 0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 3mgp n LEU 115 Cb 0.26 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3mgp n LEU 115 CO 0.21 -0.01 0.90 -0.76 -1.33 0.00 0.00 177.39 176.40 3mgp s LEU 116 N -4.19 4.35 0.06 2.23 1.43 -0.99 -4.93 118.68 116.65 3mgp s LEU 116 Ca 0.04 2.50 -0.18 0.00 -1.03 0.00 0.00 54.13 55.46 3mgp s LEU 116 Cb 0.14 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 3mgp s LEU 116 CO 0.78 -0.55 0.41 -2.65 0.23 0.00 0.00 176.35 174.57 3mgp n PRO 117 N 0.55 0.00 -0.15 1.29 -0.02 -1.26 -5.08 135.00 130.33 3mgp n PRO 117 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3mgp n PRO 117 Cb 0.44 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 33.27 3mgp n PRO 117 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84