#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgb s SER -30 N 0.00 6.76 0.49 4.04 1.04 -1.26 -5.09 113.70 119.68 3mgb s SER -30 Ca 0.00 0.91 0.06 0.00 0.48 0.00 0.00 55.95 57.40 3mgb s SER -30 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3mgb s SER -30 CO 0.00 0.23 0.34 -1.00 0.98 0.00 0.00 173.24 173.79 3mgb s HIS -29 N -0.56 2.10 -0.59 5.02 0.09 -1.26 -4.85 115.29 115.24 3mgb s HIS -29 Ca 0.24 -0.71 -0.03 0.00 -0.00 0.00 0.00 55.06 54.56 3mgb s HIS -29 Cb -0.16 -1.97 -0.03 0.00 -0.00 0.00 0.00 32.58 30.41 3mgb s HIS -29 CO 0.12 -0.23 0.51 0.72 -0.00 0.00 0.00 174.74 175.87 3mgb n HIS -28 N -1.58 -1.32 -4.40 1.40 -0.00 -1.26 -5.06 115.22 102.99 3mgb n HIS -28 Ca -0.01 0.48 -0.20 0.00 -0.00 0.00 0.00 57.72 57.99 3mgb n HIS -28 Cb 0.64 -3.45 -0.10 0.00 -0.00 0.00 0.00 29.99 27.07 3mgb n HIS -28 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3mgb s HIS -27 N -3.21 1.85 0.03 4.41 0.09 -1.26 -5.16 115.29 112.04 3mgb s HIS -27 Ca 0.20 -0.77 0.04 0.00 -0.00 0.00 0.00 55.06 54.53 3mgb s HIS -27 Cb -0.03 -1.07 -0.04 0.00 -0.00 0.00 0.00 32.58 31.45 3mgb s HIS -27 CO 0.40 0.18 -0.05 -3.38 -0.00 0.00 0.00 174.74 171.90 3mgb s HIS -26 N -3.13 2.92 0.44 1.40 -0.00 -1.26 -5.10 115.29 110.56 3mgb s HIS -26 Ca 0.29 -0.03 -0.25 0.00 -0.00 0.00 0.00 55.06 55.07 3mgb s HIS -26 Cb 0.05 -1.59 -0.08 0.00 -0.00 0.00 0.00 32.58 30.96 3mgb s HIS -26 CO 0.11 0.41 1.34 -1.58 -0.00 0.00 0.00 174.74 175.02 3mgb s HIS -25 N -1.08 2.63 -0.45 0.38 5.65 -1.26 -4.98 115.29 116.17 3mgb s HIS -25 Ca 0.19 1.36 -0.12 0.00 0.25 0.00 0.00 55.06 56.74 3mgb s HIS -25 Cb -0.11 -3.75 0.08 0.00 -1.18 0.00 0.00 32.58 27.62 3mgb s HIS -25 CO 0.10 -2.44 0.34 -1.01 -0.65 0.00 0.00 174.74 171.08 3mgb s HIS -24 N -1.27 3.30 -1.12 3.88 0.09 -1.26 -4.92 115.29 113.99 3mgb s HIS -24 Ca 0.61 -1.27 0.29 0.00 -0.00 0.00 0.00 55.06 54.68 3mgb s HIS -24 Cb -0.40 -3.15 1.24 0.00 -0.00 0.00 0.00 32.58 30.28 3mgb s HIS -24 CO 0.50 -0.85 1.91 0.43 -0.00 0.00 0.00 174.74 176.74 3mgb n SER -23 N 5.06 0.06 -3.40 1.40 7.64 -1.26 -5.36 113.62 117.76 3mgb n SER -23 Ca -0.11 0.26 -0.40 0.00 1.01 0.00 0.00 58.87 59.63 3mgb n SER -23 Cb 0.43 -0.38 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 3mgb n SER -23 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mgb n SER -22 N -1.43 7.49 -0.54 6.43 3.41 -1.26 -5.22 113.62 122.50 3mgb n SER -22 Ca 0.09 -3.55 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 3mgb n SER -22 Cb 0.32 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 3mgb n SER -22 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3mgb n SER 0 N 0.33 0.00 -0.10 4.04 2.88 -1.26 -5.34 113.62 114.18 3mgb n SER 0 Ca 0.52 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 58.29 3mgb n SER 0 Cb 0.27 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.19 3mgb n SER 0 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3mgb h MET 1 N 0.77 0.88 -6.45 -1.46 1.85 -1.96 -3.42 114.93 105.15 3mgb h MET 1 Ca 0.00 -0.48 -0.53 0.00 -0.61 0.00 0.00 59.70 58.08 3mgb h MET 1 Cb 0.00 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 3mgb h MET 1 CO 0.00 1.12 -0.14 -0.80 -0.40 0.00 0.00 176.91 176.69 3mgb s ASN 2 N -6.86 6.52 0.00 1.39 0.01 -1.26 -3.95 114.94 110.79 3mgb s ASN 2 Ca -0.10 0.79 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 3mgb s ASN 2 Cb 0.11 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.60 3mgb s ASN 2 CO 0.88 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.94 3mgb n GLY 3 N -0.55 2.90 3.73 0.66 0.00 -0.82 -4.76 105.19 106.36 3mgb n GLY 3 Ca -0.01 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3mgb n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgb s ILE 4 N -2.00 3.32 -0.34 -0.61 -1.09 -0.66 -2.01 121.20 117.80 3mgb s ILE 4 Ca 0.00 1.04 -0.06 0.00 -2.23 0.00 0.00 60.65 59.40 3mgb s ILE 4 Cb 0.00 -3.67 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 3mgb s ILE 4 CO 0.00 0.13 0.11 -0.13 -1.23 0.00 0.00 174.94 173.82 3mgb s ARG 5 N 0.22 2.57 -0.01 2.79 3.00 0.16 -0.90 118.95 126.79 3mgb s ARG 5 Ca 0.58 -1.24 -0.30 0.00 0.00 0.00 0.00 55.73 54.77 3mgb s ARG 5 Cb -0.36 -3.45 -0.03 0.00 0.00 0.00 0.00 34.95 31.11 3mgb s ARG 5 CO 0.36 -0.70 1.07 -1.58 0.00 0.00 0.00 175.30 174.45 3mgb s TRP 6 N 1.37 3.52 -0.82 -0.53 0.52 -0.42 -0.84 118.94 121.75 3mgb s TRP 6 Ca -0.01 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.52 3mgb s TRP 6 Cb -0.20 -3.24 0.21 0.00 -1.15 0.00 0.00 33.47 29.09 3mgb s TRP 6 CO 0.02 -0.52 0.73 0.42 0.02 0.00 0.00 176.95 177.63 3mgb s ILE 7 N 1.33 5.21 0.03 2.03 -1.09 0.85 -0.45 121.20 129.10 3mgb s ILE 7 Ca 0.54 -2.73 0.02 0.00 -2.23 0.00 0.00 60.65 56.25 3mgb s ILE 7 Cb -0.23 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 3mgb s ILE 7 CO 0.26 -1.02 0.04 0.00 -1.23 0.00 0.00 174.94 172.99 3mgb s ALA 8 N -0.09 3.42 -0.11 9.38 0.00 0.50 -2.39 121.76 132.48 3mgb s ALA 8 Ca 0.19 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.87 3mgb s ALA 8 Cb -0.12 -1.40 0.12 0.00 0.00 0.00 0.00 23.12 21.72 3mgb s ALA 8 CO -0.08 0.69 1.04 -1.54 0.00 0.00 0.00 175.76 175.87 3mgb s SER 9 N -1.88 -0.27 0.59 0.00 1.04 -1.03 -1.01 113.70 111.14 3mgb s SER 9 Ca 0.23 0.05 -0.17 0.00 0.48 0.00 0.00 55.95 56.55 3mgb s SER 9 Cb -0.12 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 3mgb s SER 9 CO 0.15 -0.42 1.10 -0.47 0.98 0.00 0.00 173.24 174.58 3mgb s TYR 10 N -2.52 2.74 0.42 5.02 5.04 -1.26 -4.08 117.35 122.72 3mgb s TYR 10 Ca 0.06 1.54 -0.25 0.00 -2.44 0.00 0.00 57.07 55.98 3mgb s TYR 10 Cb -0.01 -3.17 -0.10 0.00 0.35 0.00 0.00 41.96 39.04 3mgb s TYR 10 CO -0.06 -1.46 1.22 -2.30 -1.34 0.00 0.00 175.55 171.61 3mgb n PRO 11 N -1.86 1.80 -1.51 4.97 -0.02 -1.26 -3.22 135.00 133.90 3mgb n PRO 11 Ca 0.10 0.64 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 3mgb n PRO 11 Cb 0.52 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3mgb n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mgb n LYS 12 N 0.03 -0.23 -0.35 -0.52 4.76 -1.26 -4.89 118.16 115.69 3mgb n LYS 12 Ca 0.07 0.41 0.10 0.00 -2.87 0.00 0.00 58.31 56.03 3mgb n LYS 12 Cb 0.40 -4.06 0.29 0.00 -1.84 0.00 0.00 35.03 29.81 3mgb n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mgb n ALA 13 N 0.09 2.47 -0.77 7.82 0.00 -1.20 -4.57 120.51 124.36 3mgb n ALA 13 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.25 3mgb n ALA 13 Cb 0.29 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3mgb n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgb n GLY 14 N 1.46 0.88 0.21 0.00 0.00 -1.26 -4.61 105.19 101.87 3mgb n GLY 14 Ca 0.22 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 3mgb n GLY 14 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3mgb h ASN 15 N 0.00 0.58 -0.42 1.61 -0.73 -1.92 -2.75 115.58 111.96 3mgb h ASN 15 Ca 0.00 -0.08 -0.10 0.00 1.87 0.00 0.00 56.30 57.99 3mgb h ASN 15 Cb 0.24 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 3mgb h ASN 15 CO 0.00 0.49 -0.10 0.74 -0.37 0.00 0.00 177.43 178.20 3mgb h THR 16 N 0.62 1.26 -0.11 -3.57 2.02 -1.98 -1.24 112.91 109.91 3mgb h THR 16 Ca 0.17 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 66.17 3mgb h THR 16 Cb 0.04 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3mgb h THR 16 CO -0.03 0.41 0.02 -0.25 0.37 0.00 0.00 175.52 176.04 3mgb h TRP 17 N 0.78 0.03 -0.86 3.16 7.01 -1.94 0.13 115.95 124.26 3mgb h TRP 17 Ca 0.13 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.15 3mgb h TRP 17 Cb 0.61 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.62 3mgb h TRP 17 CO 0.03 0.01 0.57 0.28 -2.79 0.00 0.00 178.44 176.55 3mgb h VAL 18 N 0.06 1.21 0.00 2.65 2.07 -1.20 -0.58 116.25 120.47 3mgb h VAL 18 Ca 0.05 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 3mgb h VAL 18 Cb 0.04 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 3mgb h VAL 18 CO -0.07 0.21 -0.38 0.03 0.02 0.00 0.00 177.57 177.38 3mgb h ARG 19 N 1.16 0.00 -0.26 1.57 3.08 -0.93 0.15 114.38 119.15 3mgb h ARG 19 Ca 0.32 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.28 3mgb h ARG 19 Cb -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3mgb h ARG 19 CO -0.07 0.38 -0.20 0.00 -1.07 0.00 0.00 179.97 179.01 3mgb h MET 21 N 0.32 0.97 -0.20 0.00 2.86 -0.73 -0.66 114.93 117.49 3mgb h MET 21 Ca 0.05 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3mgb h MET 21 Cb 0.75 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 3mgb h MET 21 CO 0.05 0.88 0.11 -0.07 1.06 0.00 0.00 176.91 178.94 3mgb h LEU 22 N 0.92 0.26 -0.34 1.22 3.38 -0.88 0.75 115.31 120.62 3mgb h LEU 22 Ca 0.19 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3mgb h LEU 22 Cb 0.36 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3mgb h LEU 22 CO 0.00 0.28 0.21 0.00 0.09 0.00 0.00 178.44 179.03 3mgb h ALA 23 N 0.98 0.43 -0.60 1.53 0.00 -0.83 0.32 119.26 121.09 3mgb h ALA 23 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mgb h ALA 23 Cb 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3mgb h ALA 23 CO -0.01 -0.14 0.37 0.00 0.00 0.00 0.00 179.25 179.48 3mgb h ALA 24 N 1.14 0.77 -0.17 0.00 0.00 -1.01 -1.46 119.26 118.52 3mgb h ALA 24 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3mgb h ALA 24 Cb -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3mgb h ALA 24 CO -0.05 0.12 -0.16 -0.92 0.00 0.00 0.00 179.25 178.24 3mgb h TYR 25 N 0.74 0.50 -0.75 0.00 3.20 -0.37 0.16 116.97 120.45 3mgb h TYR 25 Ca 0.24 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3mgb h TYR 25 Cb -0.00 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 3mgb h TYR 25 CO -0.05 0.78 0.41 0.82 -1.64 0.00 0.00 178.16 178.48 3mgb h ILE 26 N 0.07 1.23 0.00 1.81 2.04 -0.25 -3.18 117.51 119.22 3mgb h ILE 26 Ca 0.03 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3mgb h ILE 26 Cb 0.69 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3mgb h ILE 26 CO 0.04 0.25 -0.98 0.35 0.00 0.00 0.00 178.15 177.81 3mgb n THR 27 N -4.46 0.17 -1.14 -0.27 -2.24 -0.56 -4.94 114.28 100.83 3mgb n THR 27 Ca 0.07 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 3mgb n THR 27 Cb 0.09 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 3mgb n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mgb n GLY 28 N 1.38 0.55 3.34 3.38 0.00 0.56 -4.98 105.19 109.41 3mgb n GLY 28 Ca 0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3mgb n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgb s LYS 29 N -2.09 1.58 -0.09 1.61 1.02 -1.20 -5.03 119.74 115.53 3mgb s LYS 29 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.55 3mgb s LYS 29 Cb 0.00 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 3mgb s LYS 29 CO 0.00 0.46 1.50 0.00 -0.92 0.00 0.00 175.35 176.39 3mgb s ALA 30 N -0.90 3.63 0.38 5.17 0.00 -1.26 -4.18 121.76 124.61 3mgb s ALA 30 Ca 0.11 0.76 -0.27 0.00 0.00 0.00 0.00 51.96 52.56 3mgb s ALA 30 Cb -0.10 -3.70 -0.11 0.00 0.00 0.00 0.00 23.12 19.22 3mgb s ALA 30 CO 0.03 -1.30 1.43 -2.30 0.00 0.00 0.00 175.76 173.62 3mgb n PRO 31 N 6.88 2.47 -0.04 0.00 -0.02 -1.26 -4.91 135.00 138.11 3mgb n PRO 31 Ca 0.16 0.87 -0.04 0.00 -2.02 0.00 0.00 63.50 62.46 3mgb n PRO 31 Cb 0.44 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 3mgb n PRO 31 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3mgb n GLN 32 N 0.35 2.32 -4.26 -0.52 1.13 -1.26 -4.93 117.38 110.21 3mgb n GLN 32 Ca 0.03 0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 3mgb n GLN 32 Cb 0.39 -1.21 -0.10 0.00 0.11 0.00 0.00 30.24 29.43 3mgb n GLN 32 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3mgb s VAL 33 N -2.20 0.54 0.37 5.09 -7.23 -1.26 -4.40 120.40 111.30 3mgb s VAL 33 Ca -0.05 -1.98 0.09 0.00 -1.81 0.00 0.00 61.98 58.22 3mgb s VAL 33 Cb 0.03 -2.33 0.32 0.00 0.56 0.00 0.00 36.38 34.95 3mgb s VAL 33 CO 0.32 -0.26 1.90 -0.50 -0.31 0.00 0.00 175.10 176.24 3mgb h TRP 34 N 2.59 0.76 -0.05 2.82 4.06 -1.75 -1.07 115.95 123.31 3mgb h TRP 34 Ca -0.37 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.56 3mgb h TRP 34 Cb 1.22 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 3mgb h TRP 34 CO 0.48 0.31 -0.17 -0.91 -3.56 0.00 0.00 178.44 174.59 3mgb h ASN 35 N 0.67 0.07 -0.20 -3.49 2.35 -1.51 -0.33 115.58 113.14 3mgb h ASN 35 Ca 0.41 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.12 3mgb h ASN 35 Cb 0.63 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3mgb h ASN 35 CO -0.17 0.26 0.07 0.44 -1.65 0.00 0.00 177.43 176.38 3mgb h ASP 36 N 0.08 0.35 -0.02 5.81 3.32 -1.47 0.96 116.42 125.44 3mgb h ASP 36 Ca 0.01 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3mgb h ASP 36 Cb 0.36 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3mgb h ASP 36 CO 0.02 0.36 -0.18 0.40 -1.72 0.00 0.00 179.24 178.13 3mgb h ILE 37 N 0.39 1.50 0.00 0.35 2.04 -1.14 -3.24 117.51 117.41 3mgb h ILE 37 Ca 0.09 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 3mgb h ILE 37 Cb 0.15 2.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3mgb h ILE 37 CO -0.00 0.47 -0.08 0.44 0.00 0.00 0.00 178.15 178.98 3mgb h ASP 38 N -0.44 0.00 0.62 1.72 3.32 -0.97 -2.54 116.42 118.12 3mgb h ASP 38 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3mgb h ASP 38 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3mgb h ASP 38 CO 0.04 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 3mgb h ALA 39 N 1.92 1.00 -0.01 3.45 0.00 -0.84 -3.16 119.26 121.62 3mgb h ALA 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mgb h ALA 39 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mgb h ALA 39 CO 0.01 0.00 -0.18 0.39 0.00 0.00 0.00 179.25 179.47 3mgb n GLU 40 N -3.00 2.06 -3.72 0.00 -0.58 -0.96 -4.97 120.64 109.46 3mgb n GLU 40 Ca -0.01 -0.60 -0.12 0.00 -0.42 0.00 0.00 57.16 56.02 3mgb n GLU 40 Cb 0.21 -1.06 -0.10 0.00 -0.57 0.00 0.00 31.44 29.92 3mgb n GLU 40 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3mgb s SER 41 N -1.26 -0.45 0.59 1.62 1.04 -1.19 -4.69 113.70 109.35 3mgb s SER 41 Ca 0.08 0.84 -0.14 0.00 0.48 0.00 0.00 55.95 57.20 3mgb s SER 41 Cb 0.07 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.95 3mgb s SER 41 CO 0.23 -0.16 1.03 -0.76 0.98 0.00 0.00 173.24 174.56 3mgb s LEU 42 N 0.66 3.42 -0.25 2.42 1.43 0.30 -4.64 118.68 122.02 3mgb s LEU 42 Ca -0.04 1.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 3mgb s LEU 42 Cb -0.05 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.71 3mgb s LEU 42 CO -0.04 -0.99 -0.10 -0.89 0.23 0.00 0.00 176.35 174.55 3mgb s THR 43 N -2.74 2.44 0.15 5.49 2.01 -1.26 0.29 115.64 122.01 3mgb s THR 43 Ca 0.60 -1.32 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 3mgb s THR 43 Cb -0.13 -2.31 0.04 0.00 0.01 0.00 0.00 72.50 70.12 3mgb s THR 43 CO 0.41 0.12 1.67 0.25 -0.69 0.00 0.00 174.62 176.39 3mgb h LEU 44 N 7.89 -0.37 -1.04 4.42 5.85 -1.34 -1.02 115.31 129.70 3mgb h LEU 44 Ca -0.28 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3mgb h LEU 44 Cb 1.08 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 3mgb h LEU 44 CO 0.53 -0.14 0.18 -0.33 -0.34 0.00 0.00 178.44 178.35 3mgb h GLU 45 N -0.05 0.87 -0.37 1.25 3.07 -1.96 0.66 114.58 118.05 3mgb h GLU 45 Ca 0.15 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3mgb h GLU 45 Cb 0.27 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3mgb h GLU 45 CO -0.33 0.75 0.17 0.00 -1.40 0.00 0.00 179.01 178.19 3mgb h ALA 46 N 1.35 0.48 -0.36 3.43 0.00 -1.84 -2.46 119.26 119.87 3mgb h ALA 46 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mgb h ALA 46 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3mgb h ALA 46 CO -0.01 0.06 0.22 0.52 0.00 0.00 0.00 179.25 180.04 3mgb h MET 47 N 0.46 0.49 -0.62 0.00 2.86 -0.04 -2.48 114.93 115.61 3mgb h MET 47 Ca 0.13 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 3mgb h MET 47 Cb 0.15 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 3mgb h MET 47 CO -0.01 0.38 0.41 -0.07 1.06 0.00 0.00 176.91 178.68 3mgb h LEU 48 N 0.47 0.41 -2.16 1.22 3.38 -0.75 -0.52 115.31 117.37 3mgb h LEU 48 Ca 0.13 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.17 3mgb h LEU 48 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3mgb h LEU 48 CO -0.02 0.25 0.28 -0.09 0.09 0.00 0.00 178.44 178.95 3mgb h ARG 49 N 0.46 0.00 -0.23 1.13 2.43 -0.96 -0.84 114.38 116.38 3mgb h ARG 49 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3mgb h ARG 49 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3mgb h ARG 49 CO -0.08 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.57 3mgb n PHE 50 N -3.64 0.30 -1.08 2.20 3.72 -0.32 -4.96 117.46 113.69 3mgb n PHE 50 Ca 0.03 -0.45 -0.03 0.00 -0.05 0.00 0.00 57.45 56.95 3mgb n PHE 50 Cb 0.41 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.91 3mgb n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mgb n GLY 51 N 0.26 0.60 3.93 1.37 0.00 -0.32 -5.03 105.19 106.00 3mgb n GLY 51 Ca 0.08 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 3mgb n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mgb s ASP 52 N -2.89 6.34 -0.02 1.61 -1.08 -0.50 -4.97 116.67 115.17 3mgb s ASP 52 Ca 0.00 0.48 -0.04 0.00 -0.52 0.00 0.00 52.55 52.47 3mgb s ASP 52 Cb 0.00 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 3mgb s ASP 52 CO 0.00 -0.22 0.09 -0.76 0.52 0.00 0.00 175.17 174.79 3mgb s LEU 53 N -3.98 1.72 0.61 -1.34 1.43 -1.26 -3.46 118.68 112.40 3mgb s LEU 53 Ca 0.40 -0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 53.27 3mgb s LEU 53 Cb -0.10 0.39 -0.03 0.00 0.03 0.00 0.00 46.19 46.49 3mgb s LEU 53 CO 0.33 -0.18 1.26 -2.84 0.23 0.00 0.00 176.35 175.15 3mgb s PRO 54 N -0.65 2.79 0.29 1.29 0.02 -1.26 -4.91 135.00 132.57 3mgb s PRO 54 Ca -0.07 1.98 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 3mgb s PRO 54 Cb -0.04 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.43 3mgb s PRO 54 CO 0.00 -1.39 1.43 -0.35 -0.33 0.00 0.00 177.00 176.36 3mgb n PRO 55 N -1.69 2.26 0.05 5.54 -0.04 -1.26 -4.90 135.00 134.96 3mgb n PRO 55 Ca 0.14 0.80 0.13 0.00 -0.04 0.00 0.00 63.50 64.53 3mgb n PRO 55 Cb 0.48 -2.47 0.33 0.00 -0.04 0.00 0.00 33.50 31.80 3mgb n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mgb n ALA 56 N 1.45 2.80 -3.19 0.55 0.00 -1.26 -4.20 120.51 116.65 3mgb n ALA 56 Ca 0.08 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 3mgb n ALA 56 Cb 0.34 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 3mgb n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mgb n GLU 57 N -1.90 1.23 -2.08 0.00 4.71 -1.26 -4.63 120.64 116.71 3mgb n GLU 57 Ca 0.05 -3.58 -0.37 0.00 -0.01 0.00 0.00 57.16 53.24 3mgb n GLU 57 Cb 0.40 -1.61 0.01 0.00 -1.01 0.00 0.00 31.44 29.22 3mgb n GLU 57 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3mgb s PRO 58 N -2.03 3.49 -0.34 3.49 0.04 -1.26 -4.91 135.00 133.47 3mgb s PRO 58 Ca 0.39 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.44 3mgb s PRO 58 Cb 0.25 -2.31 0.68 0.00 0.04 0.00 0.00 34.50 33.16 3mgb s PRO 58 CO -0.09 -0.82 1.77 -1.33 0.04 0.00 0.00 177.00 176.57 3mgb n MET 59 N -0.77 3.07 -3.62 4.56 2.81 -1.26 -4.41 117.12 117.50 3mgb n MET 59 Ca 0.09 -3.07 -0.08 0.00 -1.81 0.00 0.00 57.70 52.83 3mgb n MET 59 Cb 0.47 -2.13 -0.02 0.00 -0.71 0.00 0.00 33.22 30.83 3mgb n MET 59 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3mgb s GLU 60 N -3.09 1.27 0.23 0.03 -1.05 -1.26 -4.98 118.70 109.85 3mgb s GLU 60 Ca 0.53 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 54.46 3mgb s GLU 60 Cb 0.44 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 34.53 3mgb s GLU 60 CO 0.11 -0.57 1.42 -2.14 0.95 0.00 0.00 175.26 175.03 3mgb s PRO 61 N -3.53 4.29 -0.13 -4.83 0.02 -1.25 -1.95 135.00 127.62 3mgb s PRO 61 Ca 0.07 2.26 -0.00 0.00 0.02 0.00 0.00 61.00 63.34 3mgb s PRO 61 Cb -0.02 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.40 3mgb s PRO 61 CO -0.04 -0.40 -0.08 0.08 -0.33 0.00 0.00 177.00 176.23 3mgb s VAL 62 N 0.10 1.10 -0.18 3.83 1.01 -0.85 -4.89 120.40 120.52 3mgb s VAL 62 Ca 0.60 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 3mgb s VAL 62 Cb -0.41 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3mgb s VAL 62 CO 0.41 0.34 0.68 -0.76 0.00 0.00 0.00 175.10 175.77 3mgb s LEU 63 N 1.67 4.16 -0.07 3.92 1.43 -1.26 0.39 118.68 128.92 3mgb s LEU 63 Ca 0.04 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3mgb s LEU 63 Cb -0.13 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.13 3mgb s LEU 63 CO -0.08 -0.30 -0.05 -0.69 0.23 0.00 0.00 176.35 175.46 3mgb s VAL 64 N 1.91 0.67 0.16 -1.59 1.01 -0.02 -0.54 120.40 122.01 3mgb s VAL 64 Ca 0.31 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 3mgb s VAL 64 Cb -0.16 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 3mgb s VAL 64 CO 0.11 0.29 0.70 -0.75 0.00 0.00 0.00 175.10 175.44 3mgb s LYS 65 N 1.40 4.34 0.05 2.72 2.20 0.14 -0.11 119.74 130.48 3mgb s LYS 65 Ca -0.03 0.92 -0.18 0.00 -0.36 0.00 0.00 55.97 56.33 3mgb s LYS 65 Cb -0.13 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 3mgb s LYS 65 CO -0.03 0.52 0.40 -0.08 -0.36 0.00 0.00 175.35 175.80 3mgb s THR 66 N -1.29 0.06 -1.24 3.43 -1.32 -1.01 -0.84 115.64 113.43 3mgb s THR 66 Ca 0.37 -0.49 0.16 0.00 -1.21 0.00 0.00 61.69 60.52 3mgb s THR 66 Cb -0.20 -0.96 -0.05 0.00 -1.51 0.00 0.00 72.50 69.78 3mgb s THR 66 CO 0.22 -0.27 0.79 1.41 -2.21 0.00 0.00 174.62 174.56 3mgb n HIS 67 N 0.47 0.00 -1.95 9.09 8.25 -1.26 -2.47 115.22 127.36 3mgb n HIS 67 Ca -0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.89 3mgb n HIS 67 Cb 0.60 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.73 3mgb n HIS 67 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mgb s LEU 68 N -2.22 3.97 0.46 2.41 1.43 -1.26 -4.68 118.68 118.78 3mgb s LEU 68 Ca 0.11 2.65 -0.24 0.00 -1.03 0.00 0.00 54.13 55.62 3mgb s LEU 68 Cb 0.12 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 3mgb s LEU 68 CO 0.47 -1.26 1.10 0.29 0.23 0.00 0.00 176.35 177.18 3mgb n LYS 69 N -0.64 1.47 0.25 1.70 5.02 0.21 -4.87 118.16 121.30 3mgb n LYS 69 Ca 0.08 0.53 0.17 0.00 -2.02 0.00 0.00 58.31 57.07 3mgb n LYS 69 Cb 0.45 -2.20 0.81 0.00 -0.02 0.00 0.00 35.03 34.08 3mgb n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mgb h ALA 70 N 1.53 1.00 -0.67 7.82 0.00 -1.86 -2.82 119.26 124.26 3mgb h ALA 70 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mgb h ALA 70 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3mgb h ALA 70 CO 0.57 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 3mgb n ASP 71 N -2.77 4.41 -4.76 0.00 5.75 -1.26 -4.64 116.55 113.28 3mgb n ASP 71 Ca -0.01 -2.28 -0.36 0.00 -0.01 0.00 0.00 54.79 52.13 3mgb n ASP 71 Cb 0.16 -0.54 0.02 0.00 -1.03 0.00 0.00 41.12 39.73 3mgb n ASP 71 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3mgb s VAL 72 N -1.56 2.82 0.43 2.12 -7.23 -1.07 -4.89 120.40 111.02 3mgb s VAL 72 Ca 0.50 0.53 0.12 0.00 -1.81 0.00 0.00 61.98 61.31 3mgb s VAL 72 Cb 0.30 -3.22 0.31 0.00 0.56 0.00 0.00 36.38 34.33 3mgb s VAL 72 CO 0.27 -0.10 2.01 -0.65 -0.31 0.00 0.00 175.10 176.33 3mgb h PRO 73 N 1.13 0.42 -0.85 4.82 0.11 -1.93 -1.21 132.00 134.50 3mgb h PRO 73 Ca -0.50 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.62 3mgb h PRO 73 Cb 1.28 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3mgb h PRO 73 CO 0.56 0.28 0.56 0.28 -0.21 0.00 0.00 178.00 179.47 3mgb h VAL 74 N 0.43 1.13 0.00 3.15 2.07 -1.97 -2.30 116.25 118.77 3mgb h VAL 74 Ca 0.23 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3mgb h VAL 74 Cb 0.36 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3mgb h VAL 74 CO -0.06 0.19 -0.39 -0.07 0.02 0.00 0.00 177.57 177.26 3mgb h LEU 75 N 1.04 0.00 -2.01 2.57 4.07 -1.51 -2.56 115.31 116.91 3mgb h LEU 75 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 3mgb h LEU 75 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3mgb h LEU 75 CO -0.10 0.39 0.00 1.23 -1.08 0.00 0.00 178.44 178.87 3mgb h GLY 76 N 2.04 0.00 2.00 0.83 0.00 -1.29 -0.71 103.07 105.94 3mgb h GLY 76 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mgb h GLY 76 CO 0.05 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.00 3mgb h LEU 77 N 0.00 0.00 -3.20 3.11 3.38 -1.52 -3.14 115.31 113.94 3mgb h LEU 77 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3mgb h LEU 77 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3mgb h LEU 77 CO 0.00 0.00 -0.01 -1.22 0.09 0.00 0.00 178.44 177.30 3mgb n TYR 78 N -2.30 0.72 -0.20 1.13 4.01 -0.27 -4.70 117.16 115.55 3mgb n TYR 78 Ca 0.02 -0.96 0.01 0.00 -0.16 0.00 0.00 57.90 56.81 3mgb n TYR 78 Cb 0.25 -0.29 0.10 0.00 -0.31 0.00 0.00 39.34 39.10 3mgb n TYR 78 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3mgb h GLY 79 N 1.31 0.73 0.48 2.72 0.00 -1.63 -2.48 103.07 104.21 3mgb h GLY 79 Ca 0.01 0.01 -0.33 0.00 0.00 0.00 0.00 47.33 47.02 3mgb h GLY 79 CO 0.18 -0.14 -2.06 1.18 0.00 0.00 0.00 176.54 175.70 3mgb n GLU 80 N -5.17 0.66 0.00 4.80 -0.58 -1.26 -3.82 120.64 115.27 3mgb n GLU 80 Ca 0.09 0.15 0.12 0.00 -0.42 0.00 0.00 57.16 57.10 3mgb n GLU 80 Cb 0.33 -1.66 0.55 0.00 -0.57 0.00 0.00 31.44 30.09 3mgb n GLU 80 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mgb n ALA 81 N -2.69 2.15 -2.69 0.62 0.00 -1.16 -4.75 120.51 111.99 3mgb n ALA 81 Ca -0.26 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3mgb n ALA 81 Cb 1.10 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3mgb n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mgb s THR 82 N -2.85 4.86 -0.12 0.00 2.01 -0.94 -1.66 115.64 116.94 3mgb s THR 82 Ca 0.16 1.88 0.10 0.00 0.31 0.00 0.00 61.69 64.14 3mgb s THR 82 Cb 0.16 -4.24 -0.14 0.00 0.01 0.00 0.00 72.50 68.28 3mgb s THR 82 CO 0.42 0.09 0.03 0.00 -0.69 0.00 0.00 174.62 174.46 3mgb n ALA 83 N 4.58 1.70 -2.92 7.40 0.00 -0.08 -3.40 120.51 127.79 3mgb n ALA 83 Ca 0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 3mgb n ALA 83 Cb 0.50 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 3mgb n ALA 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mgb s LYS 84 N -2.29 0.06 -0.23 0.00 -0.14 -0.95 -1.82 119.74 114.38 3mgb s LYS 84 Ca -0.07 0.05 -0.00 0.00 -1.36 0.00 0.00 55.97 54.59 3mgb s LYS 84 Cb 0.04 0.03 0.03 0.00 -1.68 0.00 0.00 37.83 36.24 3mgb s LYS 84 CO 0.48 -0.01 -0.11 0.08 -0.76 0.00 0.00 175.35 175.03 3mgb s VAL 85 N -0.01 2.53 -0.29 3.17 1.01 0.62 -1.31 120.40 126.11 3mgb s VAL 85 Ca -0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 3mgb s VAL 85 Cb -0.01 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3mgb s VAL 85 CO 0.00 0.29 0.12 -0.22 0.00 0.00 0.00 175.10 175.29 3mgb s LEU 86 N 1.29 3.91 -0.22 3.92 2.96 0.40 -0.80 118.68 130.14 3mgb s LEU 86 Ca 0.01 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 3mgb s LEU 86 Cb -0.16 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 3mgb s LEU 86 CO -0.07 -0.16 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.29 3mgb s TYR 87 N 1.59 2.97 -0.19 5.38 5.04 -0.16 -0.37 117.35 131.61 3mgb s TYR 87 Ca 0.04 -0.95 -0.13 0.00 -2.44 0.00 0.00 57.07 53.60 3mgb s TYR 87 Cb -0.17 -2.11 -0.05 0.00 0.35 0.00 0.00 41.96 39.99 3mgb s TYR 87 CO 0.05 -0.55 0.25 -0.51 -1.34 0.00 0.00 175.55 173.45 3mgb s LEU 88 N 1.48 4.20 0.17 6.97 1.43 -0.18 -0.69 118.68 132.06 3mgb s LEU 88 Ca 0.06 0.39 0.11 0.00 -1.03 0.00 0.00 54.13 53.65 3mgb s LEU 88 Cb -0.14 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3mgb s LEU 88 CO -0.03 0.09 -0.23 0.68 0.23 0.00 0.00 176.35 177.09 3mgb s VAL 89 N 0.65 2.44 0.03 -1.59 -7.23 -0.47 -4.29 120.40 109.92 3mgb s VAL 89 Ca 0.14 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 3mgb s VAL 89 Cb -0.13 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.67 3mgb s VAL 89 CO 0.03 -0.06 0.24 -0.60 -0.31 0.00 0.00 175.10 174.41 3mgb s ARG 90 N -2.53 0.70 -0.26 4.82 3.52 -1.26 -0.55 118.95 123.39 3mgb s ARG 90 Ca 0.20 -0.48 -0.39 0.00 -0.13 0.00 0.00 55.73 54.93 3mgb s ARG 90 Cb -0.09 0.30 -0.14 0.00 -1.56 0.00 0.00 34.95 33.46 3mgb s ARG 90 CO 0.09 -0.20 1.84 -1.71 -0.81 0.00 0.00 175.30 174.51 3mgb n ASN 91 N 0.86 2.53 0.09 -2.12 2.85 -1.26 -4.84 115.26 113.36 3mgb n ASN 91 Ca -0.20 0.96 0.18 0.00 -0.11 0.00 0.00 54.58 55.41 3mgb n ASN 91 Cb 0.58 -1.19 0.71 0.00 1.24 0.00 0.00 39.78 41.12 3mgb n ASN 91 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mgb h PRO 92 N 8.34 0.00 -0.85 1.20 0.11 -1.99 0.46 132.00 139.27 3mgb h PRO 92 Ca -0.43 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.75 3mgb h PRO 92 Cb 1.31 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.35 3mgb h PRO 92 CO 0.97 0.00 0.51 0.00 -0.21 0.00 0.00 178.00 179.27 3mgb h ARG 93 N 0.00 0.87 0.13 1.05 3.08 -1.90 0.12 114.38 117.73 3mgb h ARG 93 Ca 0.18 -0.05 -0.30 0.00 0.07 0.00 0.00 59.98 59.88 3mgb h ARG 93 Cb 0.76 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3mgb h ARG 93 CO -0.00 0.58 -1.42 -0.44 -1.07 0.00 0.00 179.97 177.62 3mgb h ASP 94 N 0.90 0.43 -0.69 7.04 3.32 -1.26 -2.30 116.42 123.86 3mgb h ASP 94 Ca 0.39 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3mgb h ASP 94 Cb 0.27 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3mgb h ASP 94 CO -0.21 1.43 0.41 0.24 -1.72 0.00 0.00 179.24 179.39 3mgb h MET 95 N 0.08 0.95 0.17 3.56 2.86 -1.12 0.16 114.93 121.59 3mgb h MET 95 Ca -0.20 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3mgb h MET 95 Cb 2.01 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 33.45 3mgb h MET 95 CO 0.19 0.68 -0.24 1.25 1.06 0.00 0.00 176.91 179.85 3mgb h LEU 96 N 0.95 -0.66 -0.96 1.22 6.46 -0.70 0.35 115.31 121.96 3mgb h LEU 96 Ca 0.25 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.99 3mgb h LEU 96 Cb -0.02 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3mgb h LEU 96 CO -0.05 -0.34 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.15 3mgb h LEU 97 N -0.47 0.50 0.07 2.25 3.38 -1.23 -0.77 115.31 119.05 3mgb h LEU 97 Ca 0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3mgb h LEU 97 Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3mgb h LEU 97 CO -0.10 0.72 -0.03 -1.28 0.09 0.00 0.00 178.44 177.84 3mgb h SER 98 N 0.45 -0.08 -0.84 -0.43 0.87 -0.69 -2.20 113.55 110.63 3mgb h SER 98 Ca 0.07 -0.23 0.11 0.00 -1.23 0.00 0.00 61.79 60.52 3mgb h SER 98 Cb 0.63 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.53 3mgb h SER 98 CO 0.04 0.18 0.46 0.28 -0.53 0.00 0.00 176.83 177.27 3mgb h SER 99 N -0.35 0.63 -0.27 6.23 0.02 -0.85 -1.23 113.55 117.73 3mgb h SER 99 Ca -0.01 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3mgb h SER 99 Cb 0.30 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3mgb h SER 99 CO 0.02 0.33 0.16 -0.03 -1.14 0.00 0.00 176.83 176.17 3mgb h MET 100 N 0.74 0.32 -0.59 3.45 -1.53 -0.98 0.44 114.93 116.78 3mgb h MET 100 Ca 0.42 -0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.69 3mgb h MET 100 Cb 0.47 -0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.41 3mgb h MET 100 CO -0.29 0.21 0.36 -0.09 0.14 0.00 0.00 176.91 177.25 3mgb h ARG 101 N 0.33 0.70 0.00 0.39 2.43 -0.92 -1.59 114.38 115.73 3mgb h ARG 101 Ca 0.11 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3mgb h ARG 101 Cb -0.00 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3mgb h ARG 101 CO -0.05 0.46 -0.02 0.52 -1.51 0.00 0.00 179.97 179.37 3mgb h MET 102 N 0.72 0.00 -0.18 0.20 2.86 -0.66 0.37 114.93 118.25 3mgb h MET 102 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3mgb h MET 102 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3mgb h MET 102 CO -0.09 0.02 0.00 0.00 1.06 0.00 0.00 176.91 177.90 3mgb n ALA 103 N -2.11 2.49 -2.16 6.32 0.00 0.09 -4.87 120.51 120.28 3mgb n ALA 103 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 3mgb n ALA 103 Cb 0.29 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 3mgb n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mgb n SER 104 N 0.04 -4.37 -4.47 0.00 7.64 0.12 -4.99 113.62 107.60 3mgb n SER 104 Ca 0.09 0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 3mgb n SER 104 Cb 0.19 -3.48 -0.11 0.00 -1.01 0.00 0.00 64.21 59.80 3mgb n SER 104 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3mgb s ILE 105 N -2.68 5.05 0.26 0.44 1.01 -0.81 -5.04 121.20 119.44 3mgb s ILE 105 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 3mgb s ILE 105 Cb 0.00 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 3mgb s ILE 105 CO 0.00 -0.13 0.83 -0.55 0.00 0.00 0.00 174.94 175.09 3mgb s SER 106 N 1.66 7.20 0.05 3.58 0.15 -1.26 -4.08 113.70 121.00 3mgb s SER 106 Ca 0.05 1.62 0.06 0.00 0.70 0.00 0.00 55.95 58.37 3mgb s SER 106 Cb -0.18 -2.50 0.27 0.00 -1.71 0.00 0.00 66.02 61.90 3mgb s SER 106 CO 0.09 -0.00 1.17 0.54 1.20 0.00 0.00 173.24 176.24 3mgb n ARG 107 N 0.69 0.02 0.12 5.44 1.74 -1.26 0.26 116.66 123.67 3mgb n ARG 107 Ca -0.01 0.49 -0.01 0.00 -0.77 0.00 0.00 57.85 57.55 3mgb n ARG 107 Cb 0.50 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3mgb n ARG 107 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3mgb h ASP 108 N 0.00 0.00 -1.68 0.55 3.45 -2.00 -3.39 116.42 113.34 3mgb h ASP 108 Ca 0.00 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.82 3mgb h ASP 108 Cb 0.04 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.68 3mgb h ASP 108 CO 0.00 0.67 1.21 -0.62 -1.57 0.00 0.00 179.24 178.93 3mgb s ASP 109 N -6.56 6.56 0.12 6.45 3.68 0.14 -4.85 116.67 122.21 3mgb s ASP 109 Ca 0.02 -1.72 -0.20 0.00 2.13 0.00 0.00 52.55 52.79 3mgb s ASP 109 Cb 0.09 -2.49 -0.07 0.00 -1.45 0.00 0.00 42.92 38.99 3mgb s ASP 109 CO 0.77 -1.31 1.77 0.58 0.13 0.00 0.00 175.17 177.11 3mgb h VAL 110 N 6.37 1.03 0.16 1.11 2.07 -1.80 -0.17 116.25 125.01 3mgb h VAL 110 Ca 0.18 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3mgb h VAL 110 Cb 1.02 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3mgb h VAL 110 CO 1.29 0.04 -0.08 -0.08 0.02 0.00 0.00 177.57 178.76 3mgb h GLU 111 N 0.22 -0.20 -0.65 1.57 4.81 -1.95 0.02 114.58 118.40 3mgb h GLU 111 Ca 0.07 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3mgb h GLU 111 Cb -0.01 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3mgb h GLU 111 CO -0.03 -0.03 0.13 0.87 -0.73 0.00 0.00 179.01 179.23 3mgb h LYS 112 N -0.34 1.06 -0.26 1.92 1.57 -1.91 0.39 116.57 119.01 3mgb h LYS 112 Ca -0.02 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.36 3mgb h LYS 112 Cb 0.27 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3mgb h LYS 112 CO 0.04 0.97 -0.35 0.66 -0.57 0.00 0.00 179.45 180.20 3mgb h SER 113 N 0.99 0.76 0.04 0.86 4.64 -0.99 0.19 113.55 120.03 3mgb h SER 113 Ca 0.20 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3mgb h SER 113 Cb 0.40 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3mgb h SER 113 CO 0.01 1.11 -0.05 0.03 -0.87 0.00 0.00 176.83 177.05 3mgb h ARG 114 N 0.43 -0.11 -0.62 4.77 3.08 -0.91 -1.00 114.38 120.02 3mgb h ARG 114 Ca 0.03 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.20 3mgb h ARG 114 Cb 0.93 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.92 3mgb h ARG 114 CO 0.08 -0.07 0.16 -0.44 -1.07 0.00 0.00 179.97 178.63 3mgb h ASP 115 N -0.11 0.07 -0.24 7.04 3.32 -0.80 -0.91 116.42 124.79 3mgb h ASP 115 Ca 0.01 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3mgb h ASP 115 Cb 0.12 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3mgb h ASP 115 CO -0.02 0.04 0.12 0.15 -1.72 0.00 0.00 179.24 177.80 3mgb h PHE 116 N 0.30 0.34 -0.58 4.55 3.57 -0.58 -1.53 116.94 123.01 3mgb h PHE 116 Ca 0.33 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 3mgb h PHE 116 Cb 0.47 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3mgb h PHE 116 CO -0.23 0.32 0.01 0.00 -2.23 0.00 0.00 178.31 176.18 3mgb h ALA 117 N 0.98 0.79 -0.16 2.41 0.00 -0.75 -1.72 119.26 120.81 3mgb h ALA 117 Ca 0.08 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3mgb h ALA 117 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3mgb h ALA 117 CO -0.01 0.61 -0.44 0.00 0.00 0.00 0.00 179.25 179.42 3mgb h ARG 118 N 0.92 0.38 -0.46 0.00 3.08 -1.01 -1.70 114.38 115.59 3mgb h ARG 118 Ca 0.17 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3mgb h ARG 118 Cb 0.54 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3mgb h ARG 118 CO 0.03 0.75 0.18 0.87 -1.07 0.00 0.00 179.97 180.73 3mgb h LYS 119 N 0.31 0.70 -0.19 0.04 1.57 -1.04 0.78 116.57 118.75 3mgb h LYS 119 Ca 0.02 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3mgb h LYS 119 Cb 0.90 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3mgb h LYS 119 CO 0.07 0.64 -0.04 0.35 -0.57 0.00 0.00 179.45 179.91 3mgb h PHE 120 N 0.61 -0.08 -0.28 -1.35 3.57 -1.01 0.07 116.94 118.46 3mgb h PHE 120 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3mgb h PHE 120 Cb 0.21 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3mgb h PHE 120 CO 0.00 -0.07 0.13 0.82 -2.23 0.00 0.00 178.31 176.96 3mgb h ILE 121 N 0.01 1.16 -0.80 1.41 2.04 -1.23 0.11 117.51 120.21 3mgb h ILE 121 Ca 0.09 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.53 3mgb h ILE 121 Cb 0.13 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3mgb h ILE 121 CO -0.18 0.16 0.52 0.00 0.00 0.00 0.00 178.15 178.65 3mgb h ALA 122 N 0.98 1.59 -0.32 1.87 0.00 -0.60 -2.71 119.26 120.06 3mgb h ALA 122 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mgb h ALA 122 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mgb h ALA 122 CO -0.01 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.63 3mgb n ASN 123 N -4.47 3.11 -3.00 0.00 3.02 -0.01 -4.95 115.26 108.96 3mgb n ASN 123 Ca 0.11 -1.90 -0.22 0.00 -0.03 0.00 0.00 54.58 52.54 3mgb n ASN 123 Cb 0.18 -0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 3mgb n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mgb n GLU 124 N 1.16 -4.09 -0.12 3.52 1.02 0.19 -4.70 120.64 117.61 3mgb n GLU 124 Ca 0.16 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 3mgb n GLU 124 Cb 0.52 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 3mgb n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mgb n GLY 125 N -1.35 0.52 0.64 0.62 0.00 -0.04 -0.67 105.19 104.90 3mgb n GLY 125 Ca -0.11 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.50 3mgb n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mgb n LEU 126 N 0.00 2.67 0.00 0.99 4.77 -1.26 -4.30 117.00 119.87 3mgb n LEU 126 Ca 0.00 -1.62 0.03 0.00 -0.03 0.00 0.00 56.01 54.39 3mgb n LEU 126 Cb 0.00 -0.16 0.19 0.00 -2.33 0.00 0.00 43.42 41.11 3mgb n LEU 126 CO 0.00 0.62 0.52 0.61 -1.33 0.00 0.00 177.39 177.81 3mgb n GLY 127 N 0.67 -0.78 0.09 -0.72 0.00 -1.21 -2.23 105.19 101.01 3mgb n GLY 127 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3mgb n GLY 127 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3mgb h TRP 128 N 0.00 0.17 -1.91 1.61 5.08 -1.84 -3.32 115.95 115.74 3mgb h TRP 128 Ca 0.00 -0.12 -0.50 0.00 1.08 0.00 0.00 58.89 59.35 3mgb h TRP 128 Cb 0.00 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.14 3mgb h TRP 128 CO 0.00 1.18 1.46 1.21 -1.28 0.00 0.00 178.44 181.01 3mgb s ASN 129 N -6.54 5.01 0.43 0.11 2.47 -0.95 -4.81 114.94 110.67 3mgb s ASN 129 Ca -0.06 0.81 0.30 0.00 0.42 0.00 0.00 52.86 54.33 3mgb s ASN 129 Cb 0.08 -2.52 1.40 0.00 -1.45 0.00 0.00 41.25 38.76 3mgb s ASN 129 CO 0.83 -2.49 1.90 0.00 -3.72 0.00 0.00 177.10 173.62 3mgb h ALA 130 N 16.59 1.00 0.00 1.71 0.00 -1.87 -2.62 119.26 134.07 3mgb h ALA 130 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mgb h ALA 130 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mgb h ALA 130 CO 1.16 0.00 -1.14 1.47 0.00 0.00 0.00 179.25 180.74 3mgb n LEU 131 N -2.64 0.59 0.00 0.00 -0.00 -1.26 -4.44 117.00 109.24 3mgb n LEU 131 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 3mgb n LEU 131 Cb 0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 3mgb n LEU 131 CO 0.20 0.06 0.00 0.61 -0.00 0.00 0.00 177.39 178.26 3mgb n GLY 132 N 1.37 -1.12 3.71 1.47 0.00 -1.01 -4.86 105.19 104.74 3mgb n GLY 132 Ca 0.01 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 3mgb n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgb n ALA 133 N -3.00 1.24 -1.15 4.61 0.00 -1.26 -2.05 120.51 118.90 3mgb n ALA 133 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 3mgb n ALA 133 Cb 0.00 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 3mgb n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgb n GLY 134 N 0.87 0.51 2.47 0.00 0.00 -1.26 -1.50 105.19 106.27 3mgb n GLY 134 Ca 0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3mgb n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgb n GLY 135 N 0.56 1.02 5.00 -0.02 0.00 -0.87 0.13 105.19 111.02 3mgb n GLY 135 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3mgb n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgb n GLY 136 N -0.81 1.53 0.37 -0.02 0.00 -0.56 -4.30 105.19 101.39 3mgb n GLY 136 Ca -0.20 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.88 3mgb n GLY 136 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mgb h VAL 137 N 0.00 0.93 0.00 1.61 2.07 -1.64 -0.12 116.25 119.11 3mgb h VAL 137 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3mgb h VAL 137 Cb 0.00 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3mgb h VAL 137 CO 0.00 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3mgb n GLY 138 N -1.39 -1.62 0.14 2.17 0.00 0.36 -3.30 105.19 101.54 3mgb n GLY 138 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3mgb n GLY 138 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mgb n LEU 139 N -2.27 2.65 -0.51 0.99 7.94 -0.46 -0.62 117.00 124.72 3mgb n LEU 139 Ca 0.05 0.13 0.07 0.00 -1.11 0.00 0.00 56.01 55.15 3mgb n LEU 139 Cb 0.39 -1.02 -0.02 0.00 0.53 0.00 0.00 43.42 43.30 3mgb n LEU 139 CO 0.28 0.86 -0.11 0.61 -1.11 0.00 0.00 177.39 177.92 3mgb n GLY 140 N 2.05 -1.67 3.68 -3.96 0.00 -0.18 -4.20 105.19 100.91 3mgb n GLY 140 Ca -0.35 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 3mgb n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mgb s SER 141 N -4.31 2.25 0.10 1.61 1.04 -1.26 -3.34 113.70 109.78 3mgb s SER 141 Ca 0.00 0.95 -0.22 0.00 0.48 0.00 0.00 55.95 57.16 3mgb s SER 141 Cb 0.00 -1.47 -0.11 0.00 0.10 0.00 0.00 66.02 64.55 3mgb s SER 141 CO 0.00 -3.34 1.72 -0.25 0.98 0.00 0.00 173.24 172.35 3mgb h TRP 142 N -2.04 -0.08 -0.52 5.02 7.01 -1.19 -0.34 115.95 123.82 3mgb h TRP 142 Ca -0.51 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.45 3mgb h TRP 142 Cb 1.32 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 28.40 3mgb h TRP 142 CO -0.42 -0.06 0.14 -1.35 -2.79 0.00 0.00 178.44 173.96 3mgb h PRO 143 N -0.04 0.77 -0.47 2.65 0.11 -1.88 0.11 132.00 133.25 3mgb h PRO 143 Ca 0.03 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 3mgb h PRO 143 Cb 0.08 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 3mgb h PRO 143 CO -0.07 0.69 0.23 0.93 -0.21 0.00 0.00 178.00 179.57 3mgb h GLU 144 N 0.75 0.68 -0.01 1.05 5.08 -1.84 0.18 114.58 120.48 3mgb h GLU 144 Ca 0.17 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3mgb h GLU 144 Cb 0.25 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3mgb h GLU 144 CO -0.01 0.58 0.00 -0.97 -1.00 0.00 0.00 179.01 177.61 3mgb h ASN 145 N 0.62 0.01 -0.32 1.42 -0.73 -0.55 -1.67 115.58 114.36 3mgb h ASN 145 Ca 0.16 -0.20 0.03 0.00 1.87 0.00 0.00 56.30 58.16 3mgb h ASN 145 Cb 0.12 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 3mgb h ASN 145 CO -0.02 0.21 0.12 0.58 -0.37 0.00 0.00 177.43 177.95 3mgb h VAL 146 N -0.19 0.92 -0.48 2.57 2.07 -0.62 -2.48 116.25 118.04 3mgb h VAL 146 Ca 0.00 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3mgb h VAL 146 Cb 0.20 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3mgb h VAL 146 CO -0.00 0.05 0.30 -0.09 0.02 0.00 0.00 177.57 177.85 3mgb h ARG 147 N 0.26 0.59 -0.92 1.57 2.43 -0.58 -0.88 114.38 116.85 3mgb h ARG 147 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3mgb h ARG 147 Cb 0.11 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3mgb h ARG 147 CO -0.14 0.39 0.59 0.66 -1.51 0.00 0.00 179.97 179.96 3mgb h SER 148 N 0.61 1.07 0.76 -3.80 4.64 -0.92 -1.63 113.55 114.28 3mgb h SER 148 Ca 0.18 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 3mgb h SER 148 Cb -0.03 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.76 3mgb h SER 148 CO -0.06 0.80 -1.36 -0.50 -0.87 0.00 0.00 176.83 174.83 3mgb h TRP 149 N 1.26 0.00 -0.01 4.77 4.06 -1.17 -3.39 115.95 121.46 3mgb h TRP 149 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 3mgb h TRP 149 Cb -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 3mgb h TRP 149 CO 0.00 0.83 -0.56 0.25 -3.56 0.00 0.00 178.44 175.41 3mgb n THR 150 N -3.08 0.00 -4.47 1.49 -2.24 -0.36 -4.90 114.28 100.72 3mgb n THR 150 Ca -0.10 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 3mgb n THR 150 Cb 0.94 1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 70.12 3mgb n THR 150 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mgb s GLU 151 N -2.23 1.14 -1.41 -0.78 2.02 -0.62 -4.70 118.70 112.12 3mgb s GLU 151 Ca 0.10 -0.87 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 3mgb s GLU 151 Cb 0.13 -1.22 0.04 0.00 0.10 0.00 0.00 34.13 33.18 3mgb s GLU 151 CO 0.54 0.30 0.89 0.43 0.02 0.00 0.00 175.26 177.44 3mgb n SER 152 N 1.82 -3.39 0.23 -0.19 7.64 -1.26 -4.81 113.62 113.66 3mgb n SER 152 Ca -0.18 -0.77 0.12 0.00 1.01 0.00 0.00 58.87 59.05 3mgb n SER 152 Cb 0.54 -4.11 0.43 0.00 -1.01 0.00 0.00 64.21 60.05 3mgb n SER 152 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3mgb h SER 153 N -2.06 0.00 1.18 6.43 0.02 -1.91 -2.11 113.55 115.11 3mgb h SER 153 Ca -0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3mgb h SER 153 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3mgb h SER 153 CO 0.61 0.14 0.00 0.28 -1.14 0.00 0.00 176.83 176.72 3mgb h SER 154 N 0.00 0.00 0.00 3.07 0.02 -1.90 -1.04 113.55 113.70 3mgb h SER 154 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3mgb h SER 154 Cb 0.79 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 3mgb h SER 154 CO 0.02 0.00 -0.96 0.44 -1.14 0.00 0.00 176.83 175.19 3mgb h ASP 155 N 0.00 0.00 -0.07 3.07 3.32 -1.77 -3.28 116.42 117.69 3mgb h ASP 155 Ca 0.00 -0.54 -0.12 0.00 0.02 0.00 0.00 57.03 56.39 3mgb h ASP 155 Cb 0.59 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.15 3mgb h ASP 155 CO 0.00 1.33 -0.42 -0.09 -1.72 0.00 0.00 179.24 178.34 3mgb h ARG 156 N -1.00 0.40 -2.50 3.56 2.43 -1.52 -3.38 114.38 112.37 3mgb h ARG 156 Ca -0.26 -0.35 -0.60 0.00 -0.81 0.00 0.00 59.98 57.97 3mgb h ARG 156 Cb 1.16 0.08 -0.40 0.00 -0.42 0.00 0.00 29.97 30.39 3mgb h ARG 156 CO -0.15 0.99 -0.81 1.19 -1.51 0.00 0.00 179.97 179.67 3mgb n PHE 157 N -4.33 1.17 0.12 2.20 3.72 -0.40 -4.49 117.46 115.46 3mgb n PHE 157 Ca -0.09 -3.79 0.17 0.00 -0.05 0.00 0.00 57.45 53.68 3mgb n PHE 157 Cb 0.56 -0.24 0.72 0.00 -0.94 0.00 0.00 39.48 39.58 3mgb n PHE 157 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3mgb h PRO 158 N 5.05 0.00 -0.55 -1.08 0.11 -1.63 -1.91 132.00 131.98 3mgb h PRO 158 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3mgb h PRO 158 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3mgb h PRO 158 CO 0.57 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.45 3mgb n ASN 159 N -4.23 3.68 -4.85 -2.05 3.02 -1.26 -4.90 115.26 104.67 3mgb n ASN 159 Ca 0.04 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.30 3mgb n ASN 159 Cb 0.41 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 3mgb n ASN 159 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mgb s ALA 160 N -1.22 3.78 0.20 5.41 0.00 -0.72 -4.37 121.76 124.83 3mgb s ALA 160 Ca 0.43 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 3mgb s ALA 160 Cb 0.24 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.67 3mgb s ALA 160 CO 0.32 0.75 0.47 -0.51 0.00 0.00 0.00 175.76 176.79 3mgb s ASP 161 N -2.54 6.54 -0.04 0.00 1.01 -0.75 -4.93 116.67 115.96 3mgb s ASP 161 Ca 0.32 0.74 0.05 0.00 0.71 0.00 0.00 52.55 54.37 3mgb s ASP 161 Cb -0.12 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 3mgb s ASP 161 CO 0.25 -0.03 -0.18 -0.69 0.21 0.00 0.00 175.17 174.73 3mgb s VAL 162 N -1.77 1.47 -0.04 -1.27 1.01 -1.26 -0.28 120.40 118.26 3mgb s VAL 162 Ca 0.44 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3mgb s VAL 162 Cb -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.03 3mgb s VAL 162 CO 0.24 0.42 -0.03 -0.22 0.00 0.00 0.00 175.10 175.51 3mgb s LEU 163 N -0.04 1.26 -0.15 3.92 2.96 0.02 -4.97 118.68 121.69 3mgb s LEU 163 Ca -0.02 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3mgb s LEU 163 Cb -0.11 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 3mgb s LEU 163 CO 0.02 -0.07 0.03 -0.89 -1.32 0.00 0.00 176.35 174.12 3mgb s THR 164 N 0.99 4.50 -0.07 3.68 2.01 -1.26 -0.99 115.64 124.49 3mgb s THR 164 Ca -0.10 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.76 3mgb s THR 164 Cb -0.14 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.41 3mgb s THR 164 CO -0.01 0.51 -0.09 -0.32 -0.69 0.00 0.00 174.62 174.03 3mgb s MET 165 N -0.03 1.46 0.08 4.92 1.75 0.13 -4.96 119.30 122.65 3mgb s MET 165 Ca 0.04 -0.30 -0.30 0.00 -1.25 0.00 0.00 55.69 53.89 3mgb s MET 165 Cb -0.12 -1.33 -0.05 0.00 2.84 0.00 0.00 34.83 36.17 3mgb s MET 165 CO 0.02 -0.08 0.97 1.03 -0.65 0.00 0.00 175.02 176.31 3mgb s ARG 166 N 1.01 4.66 0.26 4.11 0.52 -1.26 -1.37 118.95 126.88 3mgb s ARG 166 Ca -0.08 1.45 -0.02 0.00 -0.52 0.00 0.00 55.73 56.56 3mgb s ARG 166 Cb -0.15 -3.40 0.54 0.00 0.52 0.00 0.00 34.95 32.46 3mgb s ARG 166 CO -0.00 0.15 1.73 -0.92 0.02 0.00 0.00 175.30 176.27 3mgb h TYR 167 N 5.88 0.58 -0.12 -0.53 3.20 -1.08 -0.33 116.97 124.58 3mgb h TYR 167 Ca -0.42 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 3mgb h TYR 167 Cb 1.21 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 3mgb h TYR 167 CO 0.66 0.05 -0.08 0.93 -1.64 0.00 0.00 178.16 178.08 3mgb h GLU 168 N 0.46 0.17 -0.13 1.82 3.07 -1.92 -1.22 114.58 116.84 3mgb h GLU 168 Ca 0.46 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 59.08 3mgb h GLU 168 Cb 0.74 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.62 3mgb h GLU 168 CO -0.43 0.27 -0.76 -0.44 -1.40 0.00 0.00 179.01 176.25 3mgb h ASP 169 N 0.17 0.79 -0.47 1.42 3.32 -1.46 -1.56 116.42 118.64 3mgb h ASP 169 Ca 0.04 -0.52 0.02 0.00 0.02 0.00 0.00 57.03 56.59 3mgb h ASP 169 Cb 0.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3mgb h ASP 169 CO 0.01 1.30 0.27 -0.07 -1.72 0.00 0.00 179.24 179.03 3mgb h LEU 170 N 0.46 0.43 -1.18 1.55 3.38 -0.90 -2.05 115.31 117.00 3mgb h LEU 170 Ca -0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3mgb h LEU 170 Cb 1.37 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3mgb h LEU 170 CO 0.15 0.31 0.56 0.11 0.09 0.00 0.00 178.44 179.66 3mgb h LYS 171 N 0.54 1.03 -0.17 1.13 1.79 -1.12 -1.05 116.57 118.72 3mgb h LYS 171 Ca 0.19 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 3mgb h LYS 171 Cb 0.02 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.43 3mgb h LYS 171 CO -0.09 0.68 0.06 0.78 -1.08 0.00 0.00 179.45 179.80 3mgb h GLY 172 N 1.07 0.29 -5.75 3.86 0.00 -0.62 -3.39 103.07 98.53 3mgb h GLY 172 Ca 0.34 -0.17 -0.41 0.00 0.00 0.00 0.00 47.33 47.09 3mgb h GLY 172 CO -0.10 0.16 -0.78 1.34 0.00 0.00 0.00 176.54 177.15 3mgb n ASP 173 N -4.83 -1.66 -0.19 0.19 -0.08 -0.86 -5.03 116.55 104.09 3mgb n ASP 173 Ca -0.04 -2.66 -0.01 0.00 -1.51 0.00 0.00 54.79 50.57 3mgb n ASP 173 Cb 0.14 0.43 0.10 0.00 2.34 0.00 0.00 41.12 44.12 3mgb n ASP 173 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3mgb h PRO 174 N 5.14 0.37 -0.09 -0.67 0.11 -1.39 -1.11 132.00 134.37 3mgb h PRO 174 Ca 0.15 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3mgb h PRO 174 Cb 0.99 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3mgb h PRO 174 CO 0.25 0.25 0.02 0.28 -0.21 0.00 0.00 178.00 178.58 3mgb h VAL 175 N 0.38 1.21 -0.27 3.15 2.07 -1.92 0.22 116.25 121.10 3mgb h VAL 175 Ca 0.29 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3mgb h VAL 175 Cb 0.35 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3mgb h VAL 175 CO -0.30 0.18 0.12 0.00 0.02 0.00 0.00 177.57 177.60 3mgb h ALA 176 N 0.79 0.34 -0.17 1.67 0.00 -1.89 -0.96 119.26 119.04 3mgb h ALA 176 Ca 0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3mgb h ALA 176 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mgb h ALA 176 CO 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 179.25 178.73 3mgb h ARG 177 N 0.29 0.59 -0.40 0.00 2.47 -1.19 -2.12 114.38 114.02 3mgb h ARG 177 Ca 0.09 -0.41 -0.04 0.00 -1.26 0.00 0.00 59.98 58.37 3mgb h ARG 177 Cb 0.13 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 3mgb h ARG 177 CO -0.01 1.03 0.09 0.35 0.56 0.00 0.00 179.97 181.99 3mgb h PHE 178 N 0.25 0.60 -0.21 3.04 3.57 -0.57 -0.52 116.94 123.09 3mgb h PHE 178 Ca -0.01 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 3mgb h PHE 178 Cb 1.04 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3mgb h PHE 178 CO 0.10 0.52 -0.27 0.66 -2.23 0.00 0.00 178.31 177.09 3mgb h SER 179 N 0.58 0.41 -0.71 0.41 4.64 -1.05 0.10 113.55 117.92 3mgb h SER 179 Ca 0.13 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3mgb h SER 179 Cb 0.23 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3mgb h SER 179 CO -0.00 0.68 0.26 -0.33 -0.87 0.00 0.00 176.83 176.57 3mgb h GLU 180 N 0.36 1.07 0.08 4.77 5.08 -0.67 -0.20 114.58 125.07 3mgb h GLU 180 Ca 0.05 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3mgb h GLU 180 Cb 0.67 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3mgb h GLU 180 CO 0.05 0.90 -0.06 0.82 -1.00 0.00 0.00 179.01 179.72 3mgb h ILE 181 N 1.02 0.87 -0.58 3.13 2.04 -0.57 -0.19 117.51 123.24 3mgb h ILE 181 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 3mgb h ILE 181 Cb 0.24 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3mgb h ILE 181 CO -0.02 0.00 0.34 0.58 0.00 0.00 0.00 178.15 179.05 3mgb h VAL 182 N -0.14 1.18 -0.32 1.67 2.07 -0.87 0.86 116.25 120.70 3mgb h VAL 182 Ca -0.00 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3mgb h VAL 182 Cb 0.13 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3mgb h VAL 182 CO -0.00 0.19 0.19 -0.33 0.02 0.00 0.00 177.57 177.63 3mgb h GLU 183 N 0.78 0.43 -0.32 1.57 5.08 -0.98 -2.38 114.58 118.75 3mgb h GLU 183 Ca 0.21 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3mgb h GLU 183 Cb 0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3mgb h GLU 183 CO -0.04 0.33 0.19 0.35 -1.00 0.00 0.00 179.01 178.84 3mgb h PHE 184 N 0.40 0.35 0.00 4.33 3.57 -0.63 -2.46 116.94 122.51 3mgb h PHE 184 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3mgb h PHE 184 Cb 0.01 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3mgb h PHE 184 CO -0.04 0.21 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.16 3mgb h LEU 185 N 0.38 0.00 -3.25 0.59 3.38 -0.69 -3.47 115.31 112.25 3mgb h LEU 185 Ca 0.13 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.71 3mgb h LEU 185 Cb -0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 3mgb h LEU 185 CO -0.06 0.02 -0.83 -0.67 0.09 0.00 0.00 178.44 176.99 3mgb n ASP 186 N -3.19 -5.56 -0.14 -0.43 2.03 -0.91 -4.86 116.55 103.50 3mgb n ASP 186 Ca -0.02 -0.87 0.13 0.00 0.52 0.00 0.00 54.79 54.55 3mgb n ASP 186 Cb 0.16 -3.19 0.33 0.00 -0.72 0.00 0.00 41.12 37.70 3mgb n ASP 186 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3mgb n LEU 187 N -3.51 0.78 0.00 -2.67 4.77 -1.26 -4.88 117.00 110.23 3mgb n LEU 187 Ca -0.13 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3mgb n LEU 187 Cb 0.60 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3mgb n LEU 187 CO 0.65 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3mgb n GLY 188 N 1.41 3.33 0.00 -0.72 0.00 -1.26 -4.98 105.19 102.96 3mgb n GLY 188 Ca 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3mgb n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgb n GLY 189 N 0.00 -0.12 3.59 -0.02 0.00 -1.26 -4.92 105.19 102.45 3mgb n GLY 189 Ca 0.00 -1.73 -0.48 0.00 0.00 0.00 0.00 46.02 43.81 3mgb n GLY 189 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mgb n PRO 190 N 0.00 1.26 -2.50 1.61 -0.02 -1.26 -4.91 135.00 129.19 3mgb n PRO 190 Ca 0.00 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 3mgb n PRO 190 Cb 0.00 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3mgb n PRO 190 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mgb s VAL 191 N -0.34 4.12 -0.40 -1.45 1.01 -1.26 -4.99 120.40 117.09 3mgb s VAL 191 Ca 0.70 1.16 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 3mgb s VAL 191 Cb -0.81 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 31.17 3mgb s VAL 191 CO 0.53 -0.85 1.02 -0.62 0.00 0.00 0.00 175.10 175.19 3mgb s ASP 192 N 2.94 6.71 0.56 3.32 3.68 -1.26 -4.90 116.67 127.71 3mgb s ASP 192 Ca 0.53 0.61 0.25 0.00 2.13 0.00 0.00 52.55 56.08 3mgb s ASP 192 Cb -0.10 -2.51 1.50 0.00 -1.45 0.00 0.00 42.92 40.37 3mgb s ASP 192 CO 0.30 -0.99 2.07 0.40 0.13 0.00 0.00 175.17 177.08 3mgb h ILE 193 N 5.94 0.64 -0.32 4.11 1.08 -1.99 0.25 117.51 127.23 3mgb h ILE 193 Ca -0.23 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.09 3mgb h ILE 193 Cb 1.07 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 3mgb h ILE 193 CO 1.04 0.00 -0.41 -0.33 -0.69 0.00 0.00 178.15 177.76 3mgb h GLU 194 N 0.00 0.84 -0.74 2.37 3.07 -1.99 0.50 114.58 118.63 3mgb h GLU 194 Ca 0.13 -0.48 -0.04 0.00 -0.50 0.00 0.00 59.36 58.47 3mgb h GLU 194 Cb 0.58 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 3mgb h GLU 194 CO -0.00 1.12 0.31 -0.44 -1.40 0.00 0.00 179.01 178.60 3mgb h ASP 195 N 0.62 1.00 -0.33 1.42 3.45 -1.43 -1.50 116.42 119.65 3mgb h ASP 195 Ca 0.04 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 3mgb h ASP 195 Cb 1.01 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 3mgb h ASP 195 CO 0.10 0.88 0.14 0.40 -1.57 0.00 0.00 179.24 179.19 3mgb h ILE 196 N 1.07 1.17 -0.44 0.35 1.08 -0.84 -0.72 117.51 119.18 3mgb h ILE 196 Ca 0.25 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3mgb h ILE 196 Cb 0.18 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 3mgb h ILE 196 CO -0.02 0.18 0.23 -0.09 -0.69 0.00 0.00 178.15 177.76 3mgb h ARG 197 N 0.39 0.63 -0.88 2.37 2.43 -0.58 -0.41 114.38 118.33 3mgb h ARG 197 Ca 0.11 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3mgb h ARG 197 Cb 0.16 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3mgb h ARG 197 CO -0.01 0.52 0.46 0.00 -1.51 0.00 0.00 179.97 179.43 3mgb h ARG 198 N 0.58 1.24 -0.58 0.20 3.08 -1.19 0.52 114.38 118.22 3mgb h ARG 198 Ca 0.15 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3mgb h ARG 198 Cb 0.09 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3mgb h ARG 198 CO -0.02 0.93 0.12 0.00 -1.07 0.00 0.00 179.97 179.92 3mgb h ALA 199 N 1.26 0.76 -0.25 0.04 0.00 -0.51 0.49 119.26 121.05 3mgb h ALA 199 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3mgb h ALA 199 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mgb h ALA 199 CO -0.04 0.49 0.08 0.28 0.00 0.00 0.00 179.25 180.05 3mgb h VAL 200 N 0.84 1.20 -0.37 0.00 2.07 -0.86 -2.81 116.25 116.32 3mgb h VAL 200 Ca 0.18 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3mgb h VAL 200 Cb 0.38 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3mgb h VAL 200 CO 0.01 0.21 0.24 0.00 0.02 0.00 0.00 177.57 178.05 3mgb h ALA 201 N 0.90 1.73 0.00 1.67 0.00 -0.62 -1.15 119.26 121.80 3mgb h ALA 201 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mgb h ALA 201 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mgb h ALA 201 CO -0.00 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3mgb n ALA 202 N -2.48 1.89 -1.49 0.00 0.00 0.14 -3.77 120.51 114.80 3mgb n ALA 202 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3mgb n ALA 202 Cb 0.06 -1.35 0.10 0.00 0.00 0.00 0.00 19.45 18.26 3mgb n ALA 202 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mgb n SER 203 N -1.77 1.54 -4.65 0.00 7.64 -0.45 -4.67 113.62 111.25 3mgb n SER 203 Ca 0.04 -2.83 -0.29 0.00 1.01 0.00 0.00 58.87 56.80 3mgb n SER 203 Cb 0.25 -0.37 0.17 0.00 -1.01 0.00 0.00 64.21 63.26 3mgb n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mgb s THR 204 N -1.96 2.34 0.22 0.44 -4.23 -1.10 -4.70 115.64 106.66 3mgb s THR 204 Ca 0.24 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.79 3mgb s THR 204 Cb 0.22 -2.46 0.17 0.00 1.34 0.00 0.00 72.50 71.78 3mgb s THR 204 CO -0.00 -0.15 1.73 -0.07 -0.54 0.00 0.00 174.62 175.59 3mgb h LEU 205 N -1.89 0.20 -0.40 4.79 3.38 -1.95 0.11 115.31 119.54 3mgb h LEU 205 Ca -0.52 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3mgb h LEU 205 Cb 1.30 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 3mgb h LEU 205 CO 0.53 0.10 0.23 -0.08 0.09 0.00 0.00 178.44 179.31 3mgb h GLU 206 N 0.39 0.45 -0.46 1.13 4.22 -1.97 0.21 114.58 118.56 3mgb h GLU 206 Ca 0.35 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.66 3mgb h GLU 206 Cb 0.48 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3mgb h GLU 206 CO -0.36 0.30 -0.12 0.00 -2.18 0.00 0.00 179.01 176.65 3mgb h ARG 207 N 0.46 0.85 0.00 1.92 2.47 -1.67 -2.44 114.38 115.96 3mgb h ARG 207 Ca 0.16 -0.29 -0.14 0.00 -1.26 0.00 0.00 59.98 58.45 3mgb h ARG 207 Cb 0.03 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3mgb h ARG 207 CO -0.09 0.92 -0.67 0.52 0.56 0.00 0.00 179.97 181.21 3mgb h MET 208 N 0.76 0.00 -0.58 0.04 2.86 -0.40 -0.46 114.93 117.14 3mgb h MET 208 Ca 0.12 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3mgb h MET 208 Cb 0.62 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3mgb h MET 208 CO 0.04 0.67 0.30 0.00 1.06 0.00 0.00 176.91 178.99 3mgb h ARG 209 N 0.00 0.82 -0.57 1.72 3.08 -0.49 -0.54 114.38 118.40 3mgb h ARG 209 Ca -0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3mgb h ARG 209 Cb 1.30 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 3mgb h ARG 209 CO 0.09 0.64 0.31 0.93 -1.07 0.00 0.00 179.97 180.87 3mgb h GLU 210 N 0.78 0.79 -0.50 0.04 4.39 -1.13 -1.63 114.58 117.33 3mgb h GLU 210 Ca 0.20 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.86 3mgb h GLU 210 Cb 0.07 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 3mgb h GLU 210 CO -0.03 0.61 0.22 1.25 -1.16 0.00 0.00 179.01 179.90 3mgb h LEU 211 N 0.76 0.28 -0.63 1.33 6.46 -0.83 -0.00 115.31 122.68 3mgb h LEU 211 Ca 0.20 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3mgb h LEU 211 Cb 0.05 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3mgb h LEU 211 CO -0.03 0.20 0.29 -0.08 -0.62 0.00 0.00 178.44 178.19 3mgb h GLU 212 N 0.43 0.92 -0.23 1.25 4.81 -0.74 0.10 114.58 121.13 3mgb h GLU 212 Ca 0.23 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3mgb h GLU 212 Cb 0.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3mgb h GLU 212 CO -0.19 0.75 -0.43 0.87 -0.73 0.00 0.00 179.01 179.28 3mgb h LYS 213 N 0.87 0.55 0.06 1.92 1.57 -0.96 -3.24 116.57 117.36 3mgb h LYS 213 Ca 0.21 -0.29 -0.27 0.00 -1.87 0.00 0.00 60.65 58.43 3mgb h LYS 213 Cb 0.15 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.49 3mgb h LYS 213 CO -0.02 0.88 -1.13 -0.09 -0.57 0.00 0.00 179.45 178.52 3mgb h ARG 214 N 0.45 0.58 -7.07 3.15 2.43 -0.76 -3.51 114.38 109.65 3mgb h ARG 214 Ca 0.03 -0.70 -0.54 0.00 -0.81 0.00 0.00 59.98 57.96 3mgb h ARG 214 Cb 0.93 0.22 0.13 0.00 -0.42 0.00 0.00 29.97 30.83 3mgb h ARG 214 CO 0.08 1.30 0.55 -1.12 -1.51 0.00 0.00 179.97 179.27 3mgb s SER 215 N -7.30 5.18 0.00 -3.80 0.01 0.00 -5.03 113.70 102.76 3mgb s SER 215 Ca -0.08 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.81 3mgb s SER 215 Cb 0.07 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3mgb s SER 215 CO 0.91 -1.62 0.00 0.61 0.41 0.00 0.00 173.24 173.55 3mgb n GLY 220 N 0.71 2.28 0.15 3.44 0.00 -1.26 -4.93 105.19 105.57 3mgb n GLY 220 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3mgb n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgb n GLY 221 N 0.00 -1.77 3.22 -0.02 0.00 -1.26 -1.27 105.19 104.10 3mgb n GLY 221 Ca 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 3mgb n GLY 221 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mgb s SER 222 N -4.00 0.19 0.00 1.61 1.04 -1.26 -4.82 113.70 106.46 3mgb s SER 222 Ca 0.00 -1.18 0.30 0.00 0.48 0.00 0.00 55.95 55.55 3mgb s SER 222 Cb 0.00 0.36 1.45 0.00 0.10 0.00 0.00 66.02 67.93 3mgb s SER 222 CO 0.00 -0.82 2.02 -2.65 0.98 0.00 0.00 173.24 172.78 3mgb n PRO 223 N -0.18 0.34 0.00 4.02 -0.02 -1.26 -4.85 135.00 133.04 3mgb n PRO 223 Ca -0.03 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3mgb n PRO 223 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 3mgb n PRO 223 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3mgb n ILE 224 N -1.33 0.00 0.00 4.25 -0.00 -1.26 -5.13 119.36 115.89 3mgb n ILE 224 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 3mgb n ILE 224 Cb 0.26 -0.27 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 3mgb n ILE 224 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.55 177.70 3mgb n MET 231 N -1.96 0.00 -1.72 0.38 3.85 -1.26 -5.18 117.12 111.23 3mgb n MET 231 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.70 56.27 3mgb n MET 231 Cb 0.12 0.00 -0.02 0.00 -1.05 0.00 0.00 33.22 32.27 3mgb n MET 231 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3mgb n MET 232 N 0.00 2.44 -3.22 3.17 2.81 -1.26 -3.78 117.12 117.28 3mgb n MET 232 Ca 0.00 0.87 -0.10 0.00 -1.81 0.00 0.00 57.70 56.66 3mgb n MET 232 Cb 0.00 -2.59 0.01 0.00 -0.71 0.00 0.00 33.22 29.92 3mgb n MET 232 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3mgb n LYS 233 N 1.96 -1.62 0.00 0.03 4.76 -1.26 -5.06 118.16 116.98 3mgb n LYS 233 Ca 0.09 1.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.98 3mgb n LYS 233 Cb 0.35 -4.67 0.00 0.00 -1.84 0.00 0.00 35.03 28.87 3mgb n LYS 233 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mgb n GLY 234 N -1.34 0.79 1.20 0.72 0.00 -1.25 -5.09 105.19 100.21 3mgb n GLY 234 Ca -0.06 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 3mgb n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgb n GLY 235 N 5.00 -1.30 0.30 -0.02 0.00 -1.26 -4.83 105.19 103.08 3mgb n GLY 235 Ca 0.00 -1.67 0.10 0.00 0.00 0.00 0.00 46.02 44.45 3mgb n GLY 235 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mgb h PRO 236 N 0.00 0.19 0.00 1.61 0.11 -2.00 0.23 132.00 132.14 3mgb h PRO 236 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3mgb h PRO 236 Cb 0.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3mgb h PRO 236 CO 0.09 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.42 3mgb n GLY 237 N -1.39 -1.02 0.12 -0.55 0.00 -1.26 -1.97 105.19 99.12 3mgb n GLY 237 Ca 0.19 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3mgb n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgb n GLY 238 N -0.29 -0.97 3.77 -0.02 0.00 0.07 -4.90 105.19 102.85 3mgb n GLY 238 Ca 0.02 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3mgb n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgb s ALA 239 N -2.62 3.05 0.04 4.61 0.00 -0.83 -4.85 121.76 121.15 3mgb s ALA 239 Ca 0.23 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3mgb s ALA 239 Cb 0.19 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3mgb s ALA 239 CO 0.53 -0.61 -0.08 1.03 0.00 0.00 0.00 175.76 176.63 3mgb s ARG 240 N -2.53 0.54 0.45 0.00 1.81 -1.26 -5.13 118.95 112.84 3mgb s ARG 240 Ca 0.61 -0.67 -0.25 0.00 -1.72 0.00 0.00 55.73 53.70 3mgb s ARG 240 Cb -0.30 -0.37 -0.09 0.00 -0.45 0.00 0.00 34.95 33.75 3mgb s ARG 240 CO 0.37 0.08 1.31 -2.30 -0.68 0.00 0.00 175.30 174.07 3mgb n PRO 241 N 1.73 1.94 -2.07 3.54 -0.02 -1.26 -4.90 135.00 133.96 3mgb n PRO 241 Ca -0.21 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3mgb n PRO 241 Cb 0.55 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3mgb n PRO 241 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3mgb s GLN 242 N -2.39 4.20 0.01 -0.52 0.74 -1.26 -4.92 119.66 115.53 3mgb s GLN 242 Ca 0.63 2.11 -0.22 0.00 0.05 0.00 0.00 55.36 57.94 3mgb s GLN 242 Cb -0.48 -3.91 -0.17 0.00 1.10 0.00 0.00 33.01 29.55 3mgb s GLN 242 CO 0.56 -0.81 1.26 0.35 -0.55 0.00 0.00 175.29 176.10 3mgb h PHE 243 N 9.20 0.37 -3.42 1.67 3.57 -2.00 -3.40 116.94 122.93 3mgb h PHE 243 Ca -0.38 -0.14 -0.63 0.00 3.53 0.00 0.00 57.97 60.36 3mgb h PHE 243 Cb 1.17 -0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.71 3mgb h PHE 243 CO 0.86 0.80 0.41 0.08 -2.23 0.00 0.00 178.31 178.23 3mgb s VAL 244 N -3.98 4.57 0.00 1.41 1.01 -1.26 -4.98 120.40 117.17 3mgb s VAL 244 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3mgb s VAL 244 Cb 0.04 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3mgb s VAL 244 CO 0.75 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 175.57 3mgb n GLY 245 N 5.06 0.88 0.00 4.51 0.00 -1.26 -4.93 105.19 109.45 3mgb n GLY 245 Ca 0.01 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3mgb n GLY 245 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mgb n GLU 246 N 0.00 1.10 -3.56 1.61 -0.58 -1.26 -5.01 120.64 112.94 3mgb n GLU 246 Ca 0.00 -0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.49 3mgb n GLU 246 Cb 0.00 -1.34 0.08 0.00 -0.57 0.00 0.00 31.44 29.60 3mgb n GLU 246 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mgb n GLY 247 N 1.43 -0.45 3.84 0.62 0.00 -1.26 -4.98 105.19 104.39 3mgb n GLY 247 Ca 0.02 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3mgb n GLY 247 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgb s ARG 248 N -5.93 2.27 -0.06 1.61 0.52 -1.26 -5.07 118.95 111.03 3mgb s ARG 248 Ca 0.31 0.48 0.05 0.00 -0.52 0.00 0.00 55.73 56.06 3mgb s ARG 248 Cb -0.14 -1.95 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 3mgb s ARG 248 CO 0.74 -1.45 -0.23 -0.47 0.02 0.00 0.00 175.30 173.91 3mgb s TYR 249 N -3.29 2.29 -1.47 -0.53 5.04 -1.26 -4.79 117.35 113.33 3mgb s TYR 249 Ca 0.60 -0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 54.42 3mgb s TYR 249 Cb -0.13 -1.51 0.06 0.00 0.35 0.00 0.00 41.96 40.73 3mgb s TYR 249 CO 0.53 -0.24 0.83 -3.47 -1.34 0.00 0.00 175.55 171.86 3mgb n ASP 250 N 3.09 -3.17 -4.77 4.32 4.64 -1.26 -4.89 116.55 114.51 3mgb n ASP 250 Ca -0.18 -0.84 -0.41 0.00 -1.38 0.00 0.00 54.79 51.99 3mgb n ASP 250 Cb 0.52 -3.75 -0.01 0.00 -1.04 0.00 0.00 41.12 36.85 3mgb n ASP 250 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 3mgb s GLN 251 N -6.46 4.14 0.41 -0.67 -0.21 -1.26 -4.97 119.66 110.64 3mgb s GLN 251 Ca 0.41 2.53 -0.24 0.00 0.02 0.00 0.00 55.36 58.08 3mgb s GLN 251 Cb -0.21 -2.99 -0.08 0.00 1.00 0.00 0.00 33.01 30.72 3mgb s GLN 251 CO 0.84 -0.51 1.12 0.45 -2.12 0.00 0.00 175.29 175.07 3mgb s SER 252 N -0.06 6.53 0.00 5.90 0.15 -1.26 -4.83 113.70 120.13 3mgb s SER 252 Ca 0.54 2.22 0.24 0.00 0.70 0.00 0.00 55.95 59.65 3mgb s SER 252 Cb -0.46 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 61.75 3mgb s SER 252 CO 0.59 -0.66 1.44 0.18 1.20 0.00 0.00 173.24 175.98 3mgb n LEU 253 N -0.10 2.65 -0.32 3.45 4.77 -1.26 -4.55 117.00 121.63 3mgb n LEU 253 Ca 0.05 -1.00 0.19 0.00 -0.03 0.00 0.00 56.01 55.22 3mgb n LEU 253 Cb 0.48 -0.09 0.44 0.00 -2.33 0.00 0.00 43.42 41.93 3mgb n LEU 253 CO 0.48 0.50 1.21 0.28 -1.33 0.00 0.00 177.39 178.53 3mgb h SER 254 N 3.82 0.56 0.04 -1.43 0.02 -1.92 -0.33 113.55 114.31 3mgb h SER 254 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3mgb h SER 254 Cb 0.82 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3mgb h SER 254 CO 0.00 0.16 -0.01 2.19 -1.14 0.00 0.00 176.83 178.04 3mgb h PHE 255 N 0.52 0.00 0.00 3.45 -5.15 -2.00 0.47 116.94 114.23 3mgb h PHE 255 Ca 0.57 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.34 3mgb h PHE 255 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3mgb h PHE 255 CO -0.00 0.01 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3mgb n LEU 256 N -3.42 0.58 0.00 2.10 7.99 -0.13 -4.96 117.00 119.16 3mgb n LEU 256 Ca -0.03 0.58 0.00 0.00 -0.01 0.00 0.00 56.01 56.55 3mgb n LEU 256 Cb 0.09 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 3mgb n LEU 256 CO 0.24 -0.24 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 3mgb n GLY 257 N 0.97 4.13 0.28 -0.72 0.00 0.17 -4.83 105.19 105.18 3mgb n GLY 257 Ca 0.05 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 45.11 3mgb n GLY 257 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mgb h GLU 258 N 0.00 0.00 -0.48 1.61 4.39 -1.85 -0.89 114.58 117.36 3mgb h GLU 258 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3mgb h GLU 258 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3mgb h GLU 258 CO 0.00 0.00 0.18 0.38 -1.16 0.00 0.00 179.01 178.41 3mgb h ASP 259 N 0.00 0.62 -0.29 1.42 2.03 -1.92 0.15 116.42 118.43 3mgb h ASP 259 Ca 0.01 -0.08 -0.07 0.00 -0.73 0.00 0.00 57.03 56.16 3mgb h ASP 259 Cb 0.03 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 3mgb h ASP 259 CO -0.00 0.58 -0.08 0.40 -1.03 0.00 0.00 179.24 179.11 3mgb h ILE 260 N 0.68 1.28 -0.53 4.15 1.08 -1.49 0.20 117.51 122.88 3mgb h ILE 260 Ca 0.16 -1.12 -0.00 0.00 -0.39 0.00 0.00 64.86 63.51 3mgb h ILE 260 Cb 0.16 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 3mgb h ILE 260 CO -0.01 0.36 0.32 -0.08 -0.69 0.00 0.00 178.15 178.04 3mgb h GLU 261 N 0.33 0.72 -0.61 2.37 4.57 -1.25 0.12 114.58 120.82 3mgb h GLU 261 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3mgb h GLU 261 Cb 0.57 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3mgb h GLU 261 CO 0.03 0.52 0.39 0.77 -1.18 0.00 0.00 179.01 179.53 3mgb h SER 262 N 0.71 0.72 -0.62 1.04 0.02 -0.53 -0.52 113.55 114.37 3mgb h SER 262 Ca 0.19 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3mgb h SER 262 Cb -0.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 3mgb h SER 262 CO -0.04 0.54 0.38 0.44 -1.14 0.00 0.00 176.83 177.02 3mgb h ASP 263 N 0.83 0.62 -0.28 3.07 3.32 -0.19 -0.20 116.42 123.59 3mgb h ASP 263 Ca 0.22 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.30 3mgb h ASP 263 Cb -0.06 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3mgb h ASP 263 CO -0.04 0.44 0.12 0.22 -1.72 0.00 0.00 179.24 178.25 3mgb h TYR 264 N 0.75 0.21 -0.89 4.55 5.03 -0.23 -1.52 116.97 124.87 3mgb h TYR 264 Ca 0.25 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.55 3mgb h TYR 264 Cb 0.01 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.20 3mgb h TYR 264 CO -0.05 0.11 0.48 1.96 -1.32 0.00 0.00 178.16 179.34 3mgb h GLN 265 N 0.25 1.24 -0.28 1.82 1.08 -0.74 0.19 115.11 118.67 3mgb h GLN 265 Ca 0.12 -0.15 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 3mgb h GLN 265 Cb 0.07 -0.24 -0.07 0.00 -0.05 0.00 0.00 27.48 27.19 3mgb h GLN 265 CO -0.11 0.91 -0.18 1.49 -0.95 0.00 0.00 178.83 179.99 3mgb h GLU 266 N 1.24 -0.15 -0.26 1.46 4.81 -0.60 -1.67 114.58 119.41 3mgb h GLU 266 Ca 0.31 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.60 3mgb h GLU 266 Cb 0.04 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3mgb h GLU 266 CO -0.05 -0.10 -0.02 1.25 -0.73 0.00 0.00 179.01 179.36 3mgb h LEU 267 N -0.16 -0.14 -1.37 1.64 5.85 -0.30 -2.27 115.31 118.56 3mgb h LEU 267 Ca 0.15 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.03 3mgb h LEU 267 Cb 0.39 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3mgb h LEU 267 CO -0.38 -0.04 0.51 -0.07 -0.34 0.00 0.00 178.44 178.12 3mgb h LEU 268 N 0.05 0.63 -2.96 2.25 3.38 -0.19 -2.70 115.31 115.78 3mgb h LEU 268 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3mgb h LEU 268 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3mgb h LEU 268 CO -0.22 0.38 0.00 1.41 0.09 0.00 0.00 178.44 180.10 3mgb n HIS 269 N -4.50 0.79 -0.28 1.13 8.25 -0.71 -4.55 115.22 115.36 3mgb n HIS 269 Ca 0.13 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 3mgb n HIS 269 Cb 0.33 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3mgb n HIS 269 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mgb n GLY 270 N 0.66 -0.70 0.60 -1.41 0.00 -0.87 -5.02 105.19 98.45 3mgb n GLY 270 Ca 0.18 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.62 3mgb n GLY 270 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mgb n ASP 271 N -0.57 3.30 -4.88 1.61 5.75 -1.26 -4.79 116.55 115.71 3mgb n ASP 271 Ca 0.00 -2.94 -0.30 0.00 -0.01 0.00 0.00 54.79 51.55 3mgb n ASP 271 Cb 0.00 -0.47 0.06 0.00 -1.03 0.00 0.00 41.12 39.68 3mgb n ASP 271 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3mgb s SER 272 N -2.12 5.08 0.48 -1.12 1.04 -1.26 -4.91 113.70 110.90 3mgb s SER 272 Ca 0.36 1.03 0.15 0.00 0.48 0.00 0.00 55.95 57.97 3mgb s SER 272 Cb 0.30 -1.73 1.16 0.00 0.10 0.00 0.00 66.02 65.85 3mgb s SER 272 CO 0.07 -1.56 2.08 1.23 0.98 0.00 0.00 173.24 176.04 3mgb h GLY 273 N -0.81 0.22 0.77 7.32 0.00 -1.98 -2.02 103.07 106.57 3mgb h GLY 273 Ca -0.45 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 46.83 3mgb h GLY 273 CO 0.64 0.06 0.06 -2.75 0.00 0.00 0.00 176.54 174.56 3mgb h PHE 274 N 0.19 0.11 -0.61 5.60 3.04 -1.93 -0.84 116.94 122.50 3mgb h PHE 274 Ca 0.11 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 3mgb h PHE 274 Cb 0.21 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 3mgb h PHE 274 CO -0.00 0.05 0.07 0.00 -2.02 0.00 0.00 178.31 176.40 3mgb h ALA 275 N 1.16 0.82 -0.26 2.41 0.00 -1.58 -0.54 119.26 121.27 3mgb h ALA 275 Ca 0.11 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3mgb h ALA 275 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3mgb h ALA 275 CO -0.12 0.60 0.09 1.37 0.00 0.00 0.00 179.25 181.18 3mgb h LEU 276 N 0.94 0.09 -0.59 0.00 -0.00 -1.09 -0.31 115.31 114.35 3mgb h LEU 276 Ca 0.18 0.03 -0.15 0.00 -0.00 0.00 0.00 57.88 57.94 3mgb h LEU 276 Cb 0.47 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 3mgb h LEU 276 CO 0.02 0.09 -0.52 1.88 -0.00 0.00 0.00 178.44 179.91 3mgb h TYR 277 N 0.21 0.63 -0.69 0.17 0.05 -1.01 -1.02 116.97 115.29 3mgb h TYR 277 Ca 0.12 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 3mgb h TYR 277 Cb 0.09 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 3mgb h TYR 277 CO -0.13 0.92 0.42 0.00 -1.05 0.00 0.00 178.16 178.32 3mgb h ALA 278 N 1.04 0.88 -0.10 3.88 0.00 -0.75 -1.56 119.26 122.65 3mgb h ALA 278 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mgb h ALA 278 Cb 1.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3mgb h ALA 278 CO 0.09 0.34 0.04 -0.22 0.00 0.00 0.00 179.25 179.50 3mgb h LYS 279 N 0.94 0.16 -0.67 0.00 3.64 -0.91 0.47 116.57 120.20 3mgb h LYS 279 Ca 0.25 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 3mgb h LYS 279 Cb -0.05 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3mgb h LYS 279 CO -0.05 0.29 0.44 0.37 -2.27 0.00 0.00 179.45 178.23 3mgb h GLN 280 N -0.00 0.57 -0.53 1.90 4.15 -0.89 -1.77 115.11 118.55 3mgb h GLN 280 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3mgb h GLN 280 Cb 0.19 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3mgb h GLN 280 CO -0.00 0.38 0.00 0.66 -1.93 0.00 0.00 178.83 177.94 3mgb n TYR 281 N -4.48 1.20 -2.21 3.99 4.01 -0.61 -4.95 117.16 114.10 3mgb n TYR 281 Ca 0.10 -0.63 -0.07 0.00 -0.16 0.00 0.00 57.90 57.14 3mgb n TYR 281 Cb 0.30 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3mgb n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mgb n GLY 282 N 0.76 0.11 0.80 2.72 0.00 -0.66 -4.92 105.19 103.99 3mgb n GLY 282 Ca 0.22 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.77 3mgb n GLY 282 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mgb n TYR 283 N -3.94 0.27 -0.54 1.61 4.01 0.16 -4.49 117.16 114.25 3mgb n TYR 283 Ca -0.08 -0.19 0.09 0.00 -0.16 0.00 0.00 57.90 57.56 3mgb n TYR 283 Cb 0.56 -0.01 0.31 0.00 -0.31 0.00 0.00 39.34 39.89 3mgb n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mgb n ALA 284 N 1.01 2.78 0.00 -0.72 0.00 -1.17 -4.90 120.51 117.52 3mgb n ALA 284 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3mgb n ALA 284 Cb 0.47 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3mgb n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91