#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvg n PHE 2 N 0.00 0.83 -3.55 0.00 3.01 -1.26 -4.88 117.46 111.61 1mvg n PHE 2 Ca 0.00 0.36 -0.09 0.00 1.01 0.00 0.00 57.45 58.73 1mvg n PHE 2 Cb 0.00 -0.98 -0.04 0.00 -0.01 0.00 0.00 39.48 38.46 1mvg n PHE 2 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1mvg s SER 3 N -6.61 -0.35 0.00 4.37 1.04 -1.26 -4.19 113.70 106.70 1mvg s SER 3 Ca -0.26 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1mvg s SER 3 Cb 0.06 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1mvg s SER 3 CO 0.48 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1mvg n GLY 4 N 0.26 -1.17 3.21 7.32 0.00 -0.76 -4.81 105.19 109.24 1mvg n GLY 4 Ca -0.09 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 1mvg n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mvg s THR 5 N 0.00 1.85 0.14 2.61 2.01 -1.26 -0.80 115.64 120.20 1mvg s THR 5 Ca 0.00 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 1mvg s THR 5 Cb 0.00 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1mvg s THR 5 CO 0.00 0.52 0.17 0.26 -0.69 0.00 0.00 174.62 174.88 1mvg s TRP 6 N 0.01 0.60 -0.14 4.92 0.52 -0.11 -1.27 118.94 123.48 1mvg s TRP 6 Ca -0.07 -0.97 -0.06 0.00 0.02 0.00 0.00 56.10 55.02 1mvg s TRP 6 Cb -0.14 -0.25 0.07 0.00 -1.15 0.00 0.00 33.47 31.99 1mvg s TRP 6 CO 0.04 -0.62 0.30 -1.14 0.02 0.00 0.00 176.95 175.55 1mvg s GLN 7 N -4.00 0.21 0.35 4.98 2.00 -0.20 -1.53 119.66 121.46 1mvg s GLN 7 Ca 0.20 0.77 -0.28 0.00 -2.00 0.00 0.00 55.36 54.04 1mvg s GLN 7 Cb 0.05 0.02 -0.12 0.00 0.80 0.00 0.00 33.01 33.76 1mvg s GLN 7 CO 0.00 -0.25 1.36 0.28 -0.50 0.00 0.00 175.29 176.19 1mvg n VAL 8 N 5.07 1.93 0.00 1.34 0.31 -1.25 -1.14 118.33 124.57 1mvg n VAL 8 Ca -0.11 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1mvg n VAL 8 Cb 0.51 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1mvg n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mvg n TYR 9 N 0.49 0.00 -4.13 3.52 0.18 -0.60 -4.83 117.16 111.78 1mvg n TYR 9 Ca 0.04 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.66 1mvg n TYR 9 Cb 0.37 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.21 1mvg n TYR 9 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1mvg s ALA 10 N -1.80 0.84 -0.10 -3.48 0.00 -1.08 -5.03 121.76 111.12 1mvg s ALA 10 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1mvg s ALA 10 Cb 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.17 1mvg s ALA 10 CO 0.00 0.07 0.74 1.14 0.00 0.00 0.00 175.76 177.71 1mvg s GLN 11 N -1.57 0.96 -0.14 0.00 1.03 -1.26 -1.02 119.66 117.65 1mvg s GLN 11 Ca -0.06 0.35 -0.14 0.00 0.04 0.00 0.00 55.36 55.55 1mvg s GLN 11 Cb -0.10 0.45 0.04 0.00 0.03 0.00 0.00 33.01 33.44 1mvg s GLN 11 CO 0.01 -0.27 0.40 -2.00 -2.54 0.00 0.00 175.29 170.88 1mvg s GLU 12 N -0.94 0.48 -0.30 9.60 2.12 -0.25 -4.99 118.70 124.42 1mvg s GLU 12 Ca -0.08 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.77 1mvg s GLU 12 Cb -0.01 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.61 1mvg s GLU 12 CO 0.07 -0.06 0.00 0.09 -0.54 0.00 0.00 175.26 174.82 1mvg n ASN 13 N 2.78 -8.01 0.03 -1.70 4.13 -1.26 -1.84 115.26 109.37 1mvg n ASN 13 Ca -0.14 1.41 0.00 0.00 1.68 0.00 0.00 54.58 57.53 1mvg n ASN 13 Cb 0.57 -5.23 0.00 0.00 -1.54 0.00 0.00 39.78 33.59 1mvg n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mvg n TYR 14 N 0.73 -1.44 -0.20 3.10 9.36 -1.26 -4.09 117.16 123.36 1mvg n TYR 14 Ca 0.00 0.14 -0.02 0.00 3.32 0.00 0.00 57.90 61.34 1mvg n TYR 14 Cb 0.02 0.74 0.05 0.00 -0.63 0.00 0.00 39.34 39.52 1mvg n TYR 14 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1mvg h GLU 15 N 0.00 -0.04 -0.33 2.98 4.81 -1.95 -0.22 114.58 119.84 1mvg h GLU 15 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1mvg h GLU 15 Cb 0.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1mvg h GLU 15 CO 0.00 -0.02 0.14 1.49 -0.73 0.00 0.00 179.01 179.89 1mvg h GLU 16 N -0.04 0.30 0.31 1.92 4.57 -1.98 -0.41 114.58 119.25 1mvg h GLU 16 Ca 0.28 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1mvg h GLU 16 Cb 0.47 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1mvg h GLU 16 CO -0.63 0.20 -0.15 0.35 -1.18 0.00 0.00 179.01 177.60 1mvg h PHE 17 N 0.31 -0.39 -0.44 0.92 3.57 -1.73 0.49 116.94 119.67 1mvg h PHE 17 Ca 0.14 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1mvg h PHE 17 Cb 0.08 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1mvg h PHE 17 CO -0.12 -0.19 0.12 -0.07 -2.23 0.00 0.00 178.31 175.82 1mvg h LEU 18 N -0.51 0.60 -0.16 0.59 3.38 -0.86 0.32 115.31 118.67 1mvg h LEU 18 Ca -0.04 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.61 1mvg h LEU 18 Cb 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1mvg h LEU 18 CO 0.07 0.59 -0.95 0.50 0.09 0.00 0.00 178.44 178.75 1mvg h LYS 19 N 0.64 0.45 0.00 1.13 3.64 -1.05 -2.57 116.57 118.80 1mvg h LYS 19 Ca 0.15 -0.48 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1mvg h LYS 19 Cb 0.22 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1mvg h LYS 19 CO -0.01 1.13 -0.25 0.00 -2.27 0.00 0.00 179.45 178.06 1mvg h ALA 20 N 0.70 1.18 0.16 5.00 0.00 -0.21 -3.32 119.26 122.77 1mvg h ALA 20 Ca -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1mvg h ALA 20 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1mvg h ALA 20 CO 0.17 0.31 -0.08 1.25 0.00 0.00 0.00 179.25 180.90 1mvg h LEU 21 N 0.00 -0.19 0.00 0.00 5.85 -0.29 -3.50 115.31 117.19 1mvg h LEU 21 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1mvg h LEU 21 Cb 0.61 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1mvg h LEU 21 CO 0.03 0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 1mvg n ALA 22 N -2.41 0.00 -1.70 1.25 0.00 -0.98 -5.09 120.51 111.58 1mvg n ALA 22 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1mvg n ALA 22 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 1mvg n ALA 22 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1mvg n LEU 23 N -2.62 3.59 -4.87 0.00 -0.00 -1.16 -4.86 117.00 107.08 1mvg n LEU 23 Ca 0.00 1.17 -0.29 0.00 -0.00 0.00 0.00 56.01 56.89 1mvg n LEU 23 Cb 0.00 -1.49 0.12 0.00 -0.00 0.00 0.00 43.42 42.05 1mvg n LEU 23 CO 0.00 -0.32 0.78 -2.16 -0.00 0.00 0.00 177.39 175.69 1mvg s PRO 24 N -0.98 1.46 0.45 1.47 0.04 -1.26 -3.99 135.00 132.18 1mvg s PRO 24 Ca 0.62 0.07 0.27 0.00 0.04 0.00 0.00 61.00 62.01 1mvg s PRO 24 Cb -0.58 -1.90 1.33 0.00 0.04 0.00 0.00 34.50 33.39 1mvg s PRO 24 CO 0.54 -1.93 1.72 1.05 0.04 0.00 0.00 177.00 178.42 1mvg h GLU 25 N -1.30 0.19 -0.09 4.56 9.09 -1.97 0.05 114.58 125.12 1mvg h GLU 25 Ca -0.47 -0.01 -0.10 0.00 0.05 0.00 0.00 59.36 58.83 1mvg h GLU 25 Cb 1.31 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 1mvg h GLU 25 CO 0.60 0.13 -0.39 -0.44 0.05 0.00 0.00 179.01 178.96 1mvg h ASP 26 N 0.20 0.19 0.26 3.06 3.32 -2.01 -2.63 116.42 118.81 1mvg h ASP 26 Ca 0.68 -0.07 -0.33 0.00 0.02 0.00 0.00 57.03 57.32 1mvg h ASP 26 Cb 2.11 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 41.55 1mvg h ASP 26 CO -0.26 0.57 -2.00 0.18 -1.72 0.00 0.00 179.24 176.00 1mvg n LEU 27 N -4.05 1.03 0.29 1.55 4.77 -0.08 -3.96 117.00 116.56 1mvg n LEU 27 Ca -0.01 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.37 1mvg n LEU 27 Cb 0.45 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.37 1mvg n LEU 27 CO 0.41 0.53 1.04 0.16 -1.33 0.00 0.00 177.39 178.19 1mvg h ILE 28 N 0.01 0.09 -1.01 -0.08 -0.00 -1.36 -0.65 117.51 114.52 1mvg h ILE 28 Ca -0.40 -0.40 0.23 0.00 -0.00 0.00 0.00 64.86 64.28 1mvg h ILE 28 Cb 2.08 1.36 -0.10 0.00 -0.00 0.00 0.00 36.82 40.16 1mvg h ILE 28 CO 0.05 0.02 0.63 0.11 -0.00 0.00 0.00 178.15 178.96 1mvg h LYS 29 N 0.00 0.54 -1.74 0.16 1.57 -1.59 0.41 116.57 115.92 1mvg h LYS 29 Ca -0.00 -0.03 -0.62 0.00 -1.87 0.00 0.00 60.65 58.12 1mvg h LYS 29 Cb 0.36 -0.12 -0.23 0.00 0.08 0.00 0.00 32.23 32.32 1mvg h LYS 29 CO 0.00 0.36 0.77 -1.33 -0.57 0.00 0.00 179.45 178.68 1mvg n MET 30 N -4.73 2.53 0.05 3.15 2.81 -0.25 -4.22 117.12 116.47 1mvg n MET 30 Ca 0.25 -2.92 0.00 0.00 -1.81 0.00 0.00 57.70 53.22 1mvg n MET 30 Cb 0.73 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1mvg n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mvg n ALA 31 N -0.12 0.46 -0.20 3.04 0.00 -0.49 -4.66 120.51 118.54 1mvg n ALA 31 Ca 0.52 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.96 1mvg n ALA 31 Cb 0.45 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.01 1mvg n ALA 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1mvg h ARG 32 N 0.00 0.30 -0.39 0.00 2.43 -1.14 -2.50 114.38 113.08 1mvg h ARG 32 Ca 0.00 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.87 1mvg h ARG 32 Cb 0.00 -0.07 -0.23 0.00 -0.42 0.00 0.00 29.97 29.25 1mvg h ARG 32 CO 0.00 0.20 -0.68 -3.47 -1.51 0.00 0.00 179.97 174.51 1mvg n ASP 33 N -5.08 3.34 -4.41 -3.80 2.03 -1.26 -4.99 116.55 102.37 1mvg n ASP 33 Ca 0.09 -3.78 -0.31 0.00 0.52 0.00 0.00 54.79 51.31 1mvg n ASP 33 Cb 0.31 -0.43 -0.14 0.00 -0.72 0.00 0.00 41.12 40.15 1mvg n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mvg s ILE 34 N -3.90 2.51 -0.64 5.18 -1.09 -0.94 -5.07 121.20 117.25 1mvg s ILE 34 Ca 0.44 -1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 57.56 1mvg s ILE 34 Cb 0.39 -2.02 0.16 0.00 -1.58 0.00 0.00 42.46 39.41 1mvg s ILE 34 CO -0.01 0.35 0.46 -0.54 -1.23 0.00 0.00 174.94 173.97 1mvg s LYS 35 N -1.34 2.62 0.26 2.79 3.01 -1.26 -4.85 119.74 120.96 1mvg s LYS 35 Ca 0.13 -2.54 -0.30 0.00 -1.01 0.00 0.00 55.97 52.26 1mvg s LYS 35 Cb -0.10 -3.77 -0.09 0.00 -1.01 0.00 0.00 37.83 32.86 1mvg s LYS 35 CO 0.04 -1.18 1.27 -1.25 0.51 0.00 0.00 175.35 174.73 1mvg s PRO 36 N -0.07 4.43 0.18 -1.68 0.04 -1.26 -4.79 135.00 131.85 1mvg s PRO 36 Ca 0.17 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1mvg s PRO 36 Cb -0.20 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.11 1mvg s PRO 36 CO -0.04 -0.14 0.96 -1.50 0.04 0.00 0.00 177.00 176.32 1mvg s ILE 37 N -0.54 4.22 0.01 0.56 -1.16 -1.17 -3.87 121.20 119.25 1mvg s ILE 37 Ca 0.52 2.04 0.07 0.00 -0.51 0.00 0.00 60.65 62.76 1mvg s ILE 37 Cb -0.37 -4.30 -0.02 0.00 0.61 0.00 0.00 42.46 38.39 1mvg s ILE 37 CO 0.44 0.41 -0.22 -0.69 -2.81 0.00 0.00 174.94 172.06 1mvg s VAL 38 N -0.64 1.75 -0.04 4.00 1.01 -0.58 -1.48 120.40 124.42 1mvg s VAL 38 Ca 0.44 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1mvg s VAL 38 Cb -0.25 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1mvg s VAL 38 CO 0.32 0.38 0.08 -0.70 0.00 0.00 0.00 175.10 175.18 1mvg s GLU 39 N -0.80 0.01 -0.02 2.72 2.12 -0.09 -0.93 118.70 121.71 1mvg s GLU 39 Ca 0.08 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.73 1mvg s GLU 39 Cb -0.09 -0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.07 1mvg s GLU 39 CO 0.00 -0.17 -0.16 0.42 -0.54 0.00 0.00 175.26 174.81 1mvg s ILE 40 N 1.15 1.32 -0.10 -3.70 1.09 0.02 -0.92 121.20 120.05 1mvg s ILE 40 Ca -0.09 -0.69 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 1mvg s ILE 40 Cb -0.12 -1.11 0.02 0.00 -1.06 0.00 0.00 42.46 40.18 1mvg s ILE 40 CO -0.04 0.38 -0.14 -1.58 -0.10 0.00 0.00 174.94 173.45 1mvg s GLN 41 N -0.24 2.08 -0.03 2.79 0.74 -0.51 -1.82 119.66 122.67 1mvg s GLN 41 Ca 0.03 -0.51 -0.07 0.00 0.05 0.00 0.00 55.36 54.86 1mvg s GLN 41 Cb -0.08 -1.79 -0.05 0.00 1.10 0.00 0.00 33.01 32.19 1mvg s GLN 41 CO 0.00 -0.07 0.24 -1.14 -0.55 0.00 0.00 175.29 173.77 1mvg s GLN 42 N 1.01 3.57 -0.28 1.67 0.74 -1.26 -1.63 119.66 123.48 1mvg s GLN 42 Ca -0.06 -0.06 0.22 0.00 0.05 0.00 0.00 55.36 55.50 1mvg s GLN 42 Cb -0.15 -3.13 0.50 0.00 1.10 0.00 0.00 33.01 31.33 1mvg s GLN 42 CO -0.02 0.69 1.10 1.17 -0.55 0.00 0.00 175.29 177.68 1mvg n LYS 43 N 1.41 1.60 -1.83 1.67 3.00 -0.19 -5.00 118.16 118.81 1mvg n LYS 43 Ca -0.14 -3.37 -0.01 0.00 -0.00 0.00 0.00 58.31 54.79 1mvg n LYS 43 Cb 0.53 -1.45 -0.01 0.00 0.00 0.00 0.00 35.03 34.10 1mvg n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mvg n GLY 44 N -0.52 -3.52 2.46 3.14 0.00 -1.26 -4.33 105.19 101.16 1mvg n GLY 44 Ca 0.06 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 1mvg n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mvg n ASP 45 N 0.41 -4.84 -3.74 1.61 9.92 -1.26 -4.92 116.55 113.73 1mvg n ASP 45 Ca -0.09 0.38 -0.13 0.00 -0.53 0.00 0.00 54.79 54.42 1mvg n ASP 45 Cb 0.13 -4.11 -0.10 0.00 -0.64 0.00 0.00 41.12 36.41 1mvg n ASP 45 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1mvg s ASP 46 N -2.42 -0.35 -0.01 -2.24 2.15 -1.26 -1.60 116.67 110.94 1mvg s ASP 46 Ca 0.00 0.56 -0.18 0.00 0.43 0.00 0.00 52.55 53.37 1mvg s ASP 46 Cb 0.00 0.63 0.03 0.00 -0.30 0.00 0.00 42.92 43.29 1mvg s ASP 46 CO 0.00 -0.25 0.39 0.72 -0.17 0.00 0.00 175.17 175.85 1mvg s PHE 47 N -0.33 -0.27 -0.15 -5.34 -0.12 -0.74 -1.03 117.98 110.01 1mvg s PHE 47 Ca -0.05 0.39 -0.04 0.00 -0.05 0.00 0.00 56.93 57.18 1mvg s PHE 47 Cb -0.03 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 1mvg s PHE 47 CO 0.02 -0.46 -0.02 0.54 -0.05 0.00 0.00 175.22 175.25 1mvg s VAL 48 N -1.53 4.08 -0.11 -2.49 0.11 -0.65 -1.81 120.40 118.00 1mvg s VAL 48 Ca -0.12 -0.30 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1mvg s VAL 48 Cb -0.03 -2.78 -0.02 0.00 -1.53 0.00 0.00 36.38 32.01 1mvg s VAL 48 CO 0.04 0.51 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.53 1mvg s VAL 49 N 0.15 3.42 -0.02 2.04 1.01 -0.17 -1.43 120.40 125.41 1mvg s VAL 49 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1mvg s VAL 49 Cb -0.13 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1mvg s VAL 49 CO 0.02 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.69 1mvg s THR 50 N -0.11 0.74 -0.01 3.92 2.01 -0.10 -1.39 115.64 120.69 1mvg s THR 50 Ca -0.00 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1mvg s THR 50 Cb -0.13 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1mvg s THR 50 CO 0.03 0.22 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.47 1mvg s SER 51 N 0.04 1.97 -0.19 3.53 0.15 0.05 -0.91 113.70 118.35 1mvg s SER 51 Ca -0.01 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1mvg s SER 51 Cb -0.07 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1mvg s SER 51 CO 0.00 0.20 -0.13 -0.54 1.20 0.00 0.00 173.24 173.97 1mvg s LYS 52 N -0.41 2.28 0.22 5.44 1.02 -0.55 -1.27 119.74 126.47 1mvg s LYS 52 Ca 0.06 -0.80 0.09 0.00 0.02 0.00 0.00 55.97 55.35 1mvg s LYS 52 Cb -0.06 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 1mvg s LYS 52 CO -0.01 -0.35 -0.16 0.95 -0.92 0.00 0.00 175.35 174.87 1mvg s THR 53 N 1.38 1.91 -1.56 2.17 -4.23 -0.42 -3.04 115.64 111.86 1mvg s THR 53 Ca 0.01 -2.26 0.16 0.00 -1.18 0.00 0.00 61.69 58.42 1mvg s THR 53 Cb -0.15 -2.10 0.32 0.00 1.34 0.00 0.00 72.50 71.91 1mvg s THR 53 CO -0.09 -0.55 1.43 -0.81 -0.54 0.00 0.00 174.62 174.05 1mvg n PRO 54 N -0.43 0.29 -0.57 3.99 -0.04 -1.26 -2.76 135.00 134.22 1mvg n PRO 54 Ca -0.07 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1mvg n PRO 54 Cb 0.60 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.77 1mvg n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mvg n ARG 55 N -1.22 1.59 0.00 0.54 5.12 -1.26 -5.07 116.66 116.36 1mvg n ARG 55 Ca 0.08 -3.24 0.00 0.00 -1.93 0.00 0.00 57.85 52.77 1mvg n ARG 55 Cb 0.11 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 1mvg n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mvg n GLN 56 N -1.14 0.00 -4.48 5.56 10.64 -1.11 -5.04 117.38 121.80 1mvg n GLN 56 Ca 0.20 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 55.03 1mvg n GLN 56 Cb 0.71 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.99 1mvg n GLN 56 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1mvg s THR 57 N -1.67 3.98 -0.04 -0.39 -4.23 -1.26 -1.30 115.64 110.74 1mvg s THR 57 Ca 0.00 -0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.18 1mvg s THR 57 Cb 0.00 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1mvg s THR 57 CO 0.00 0.58 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.83 1mvg s VAL 58 N -0.62 1.20 0.01 2.29 1.01 -0.40 -4.98 120.40 118.92 1mvg s VAL 58 Ca 0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1mvg s VAL 58 Cb -0.12 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1mvg s VAL 58 CO 0.02 0.35 0.12 0.28 0.00 0.00 0.00 175.10 175.88 1mvg s THR 59 N 0.07 0.10 -0.25 3.92 -1.32 -1.26 -0.77 115.64 116.12 1mvg s THR 59 Ca -0.03 -0.81 -0.26 0.00 -1.21 0.00 0.00 61.69 59.39 1mvg s THR 59 Cb -0.10 -0.56 0.08 0.00 -1.51 0.00 0.00 72.50 70.41 1mvg s THR 59 CO 0.01 -0.44 0.80 0.54 -2.21 0.00 0.00 174.62 173.32 1mvg s ASN 60 N -1.61 -0.66 0.12 8.08 6.03 -0.49 -4.45 114.94 121.96 1mvg s ASN 60 Ca -0.12 1.23 0.08 0.00 -1.03 0.00 0.00 52.86 53.02 1mvg s ASN 60 Cb -0.06 1.23 -0.04 0.00 -3.03 0.00 0.00 41.25 39.35 1mvg s ASN 60 CO -0.00 -0.25 -0.20 -0.55 -2.03 0.00 0.00 177.10 174.06 1mvg s SER 61 N 0.19 2.61 -0.08 3.54 0.15 -1.26 -1.00 113.70 117.84 1mvg s SER 61 Ca -0.00 -0.74 -0.30 0.00 0.70 0.00 0.00 55.95 55.61 1mvg s SER 61 Cb -0.05 -0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.22 1mvg s SER 61 CO -0.00 0.03 0.89 0.72 1.20 0.00 0.00 173.24 176.08 1mvg s PHE 62 N -1.44 -0.43 0.04 3.44 -0.12 -0.75 -4.57 117.98 114.16 1mvg s PHE 62 Ca 0.10 0.61 0.08 0.00 -0.05 0.00 0.00 56.93 57.67 1mvg s PHE 62 Cb -0.09 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1mvg s PHE 62 CO 0.05 -0.47 -0.23 0.99 -0.05 0.00 0.00 175.22 175.51 1mvg s THR 63 N -1.75 1.89 0.18 -4.49 2.01 -1.26 -1.80 115.64 110.42 1mvg s THR 63 Ca -0.02 -1.28 -0.31 0.00 0.31 0.00 0.00 61.69 60.39 1mvg s THR 63 Cb -0.01 -1.63 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 1mvg s THR 63 CO 0.00 0.29 1.46 -0.76 -0.69 0.00 0.00 174.62 174.92 1mvg s LEU 64 N -1.19 4.38 -0.82 4.42 1.43 -0.63 -3.29 118.68 122.97 1mvg s LEU 64 Ca 0.10 2.53 -0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1mvg s LEU 64 Cb -0.09 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1mvg s LEU 64 CO 0.02 -0.72 0.69 0.61 0.23 0.00 0.00 176.35 177.17 1mvg n GLY 65 N 3.15 -0.12 3.63 -3.19 0.00 -0.65 -4.96 105.19 103.04 1mvg n GLY 65 Ca 0.11 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1mvg n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mvg s LYS 66 N -4.90 0.81 0.43 1.61 2.47 -1.21 -5.07 119.74 113.89 1mvg s LYS 66 Ca 0.01 0.99 -0.26 0.00 -1.56 0.00 0.00 55.97 55.16 1mvg s LYS 66 Cb -0.00 0.38 -0.09 0.00 -1.46 0.00 0.00 37.83 36.66 1mvg s LYS 66 CO 0.50 -0.10 1.37 -0.85 0.16 0.00 0.00 175.35 176.43 1mvg n GLU 67 N 2.78 2.17 -3.63 4.03 -0.00 -1.26 -3.68 120.64 121.05 1mvg n GLU 67 Ca -0.14 0.77 -0.15 0.00 -0.00 0.00 0.00 57.16 57.63 1mvg n GLU 67 Cb 0.55 -2.53 -0.07 0.00 -0.00 0.00 0.00 31.44 29.39 1mvg n GLU 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mvg s ALA 68 N -1.18 -1.28 -0.06 -1.84 0.00 -0.20 -4.86 121.76 112.34 1mvg s ALA 68 Ca 0.60 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 53.15 1mvg s ALA 68 Cb -0.48 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1mvg s ALA 68 CO 0.59 -0.34 0.58 0.16 0.00 0.00 0.00 175.76 176.74 1mvg s ASP 69 N -1.36 6.88 0.08 0.00 -4.77 -1.26 -1.86 116.67 114.37 1mvg s ASP 69 Ca -0.11 1.05 0.09 0.00 -3.30 0.00 0.00 52.55 50.28 1mvg s ASP 69 Cb -0.02 -2.35 -0.03 0.00 -1.09 0.00 0.00 42.92 39.43 1mvg s ASP 69 CO 0.06 0.03 -0.25 -0.63 0.70 0.00 0.00 175.17 175.08 1mvg s ILE 70 N 0.27 2.01 -0.50 2.11 1.01 -0.86 -4.38 121.20 120.87 1mvg s ILE 70 Ca 0.31 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.44 1mvg s ILE 70 Cb -0.17 -1.76 0.13 0.00 0.01 0.00 0.00 42.46 40.67 1mvg s ILE 70 CO 0.15 0.18 0.30 -0.89 0.00 0.00 0.00 174.94 174.68 1mvg s THR 71 N -0.94 3.44 -0.34 2.92 2.01 -1.26 -0.74 115.64 120.73 1mvg s THR 71 Ca 0.11 -2.45 0.15 0.00 0.31 0.00 0.00 61.69 59.81 1mvg s THR 71 Cb -0.10 -3.31 0.44 0.00 0.01 0.00 0.00 72.50 69.54 1mvg s THR 71 CO 0.04 -0.77 1.18 0.41 -0.69 0.00 0.00 174.62 174.79 1mvg n THR 72 N 4.11 0.58 -2.89 -0.82 -1.04 -1.15 -4.72 114.28 108.35 1mvg n THR 72 Ca 0.02 -2.27 -0.12 0.00 -2.04 0.00 0.00 64.05 59.64 1mvg n THR 72 Cb 0.40 0.91 0.03 0.00 -1.82 0.00 0.00 70.33 69.85 1mvg n THR 72 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1mvg n MET 73 N -0.49 1.05 -3.24 -2.82 2.81 -1.16 -4.98 117.12 108.28 1mvg n MET 73 Ca 0.02 -2.75 -0.08 0.00 -1.81 0.00 0.00 57.70 53.07 1mvg n MET 73 Cb 0.83 -1.20 0.01 0.00 -0.71 0.00 0.00 33.22 32.16 1mvg n MET 73 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mvg n ASP 74 N 0.11 -7.01 -3.80 7.83 -0.08 -1.26 -3.40 116.55 108.93 1mvg n ASP 74 Ca 0.13 -0.37 -0.28 0.00 -1.51 0.00 0.00 54.79 52.76 1mvg n ASP 74 Cb 0.73 -4.62 0.05 0.00 2.34 0.00 0.00 41.12 39.61 1mvg n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mvg n GLY 75 N -1.67 -0.52 2.92 0.27 0.00 -1.26 -4.99 105.19 99.95 1mvg n GLY 75 Ca -0.06 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1mvg n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mvg s LYS 76 N -6.52 0.17 0.00 1.61 2.20 -1.22 -5.04 119.74 110.95 1mvg s LYS 76 Ca 0.64 -0.23 -0.09 0.00 -0.36 0.00 0.00 55.97 55.93 1mvg s LYS 76 Cb -0.31 -0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 35.93 1mvg s LYS 76 CO 0.79 0.00 0.30 0.15 -0.36 0.00 0.00 175.35 176.24 1mvg s LYS 77 N -0.51 3.66 0.20 4.03 3.01 -1.26 -2.96 119.74 125.91 1mvg s LYS 77 Ca -0.05 0.06 0.00 0.00 -1.01 0.00 0.00 55.97 54.97 1mvg s LYS 77 Cb -0.04 -3.10 -0.00 0.00 -1.01 0.00 0.00 37.83 33.68 1mvg s LYS 77 CO -0.00 0.65 0.00 1.47 0.51 0.00 0.00 175.35 177.99 1mvg n LEU 78 N 1.31 0.00 -3.92 3.17 -0.00 0.08 -4.98 117.00 112.65 1mvg n LEU 78 Ca -0.12 -1.26 -0.10 0.00 -0.00 0.00 0.00 56.01 54.53 1mvg n LEU 78 Cb 0.53 0.16 -0.12 0.00 -0.00 0.00 0.00 43.42 43.99 1mvg n LEU 78 CO 0.39 -0.18 -0.33 -1.59 -0.00 0.00 0.00 177.39 175.69 1mvg s LYS 79 N -2.72 0.23 0.05 1.47 -2.85 -1.26 -2.02 119.74 112.64 1mvg s LYS 79 Ca 0.01 -0.35 -0.27 0.00 -1.00 0.00 0.00 55.97 54.35 1mvg s LYS 79 Cb 0.00 0.09 0.09 0.00 -2.06 0.00 0.00 37.83 35.94 1mvg s LYS 79 CO 0.00 -0.04 0.87 0.00 0.10 0.00 0.00 175.35 176.29 1mvg n THR 81 N -0.32 3.56 -1.66 0.00 5.66 -1.26 -1.03 114.28 119.24 1mvg n THR 81 Ca -0.09 -5.63 -0.44 0.00 -3.05 0.00 0.00 64.05 54.85 1mvg n THR 81 Cb 0.62 -1.52 -0.02 0.00 -1.55 0.00 0.00 70.33 67.87 1mvg n THR 81 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1mvg n VAL 82 N -0.06 1.61 -3.72 1.08 3.14 -1.24 -4.43 118.33 114.71 1mvg n VAL 82 Ca 0.33 -0.40 -0.12 0.00 -2.96 0.00 0.00 64.34 61.19 1mvg n VAL 82 Cb 0.37 -1.36 -0.07 0.00 -1.06 0.00 0.00 33.84 31.72 1mvg n VAL 82 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1mvg s HIS 83 N -0.72 -0.18 -0.14 1.45 -3.43 -0.98 -1.64 115.29 109.65 1mvg s HIS 83 Ca 0.61 0.13 -0.25 0.00 -0.80 0.00 0.00 55.06 54.75 1mvg s HIS 83 Cb -0.64 0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 30.63 1mvg s HIS 83 CO 0.57 -0.51 0.79 -1.17 -2.00 0.00 0.00 174.74 172.42 1mvg s LEU 84 N -1.91 4.22 -0.02 5.38 2.96 -1.26 -1.11 118.68 126.93 1mvg s LEU 84 Ca -0.07 1.17 -0.02 0.00 -0.22 0.00 0.00 54.13 55.00 1mvg s LEU 84 Cb -0.01 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1mvg s LEU 84 CO -0.02 -0.31 -0.04 0.00 -1.32 0.00 0.00 176.35 174.67 1mvg n ALA 85 N 4.79 0.09 -3.03 5.97 0.00 -0.54 -4.96 120.51 122.83 1mvg n ALA 85 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1mvg n ALA 85 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 1mvg n ALA 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1mvg s ASN 86 N -4.01 -1.18 -1.85 0.00 3.84 -1.26 -4.91 114.94 105.56 1mvg s ASN 86 Ca -0.03 -0.71 0.00 0.00 0.21 0.00 0.00 52.86 52.32 1mvg s ASN 86 Cb 0.00 1.52 0.00 0.00 -0.55 0.00 0.00 41.25 42.22 1mvg s ASN 86 CO 0.05 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.85 1mvg n GLY 87 N 4.01 0.89 3.53 1.21 0.00 -1.26 -4.97 105.19 108.60 1mvg n GLY 87 Ca 0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1mvg n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mvg s LYS 88 N -4.18 0.72 0.23 1.61 -2.85 -1.26 -3.86 119.74 110.14 1mvg s LYS 88 Ca 0.00 0.90 -0.30 0.00 -1.00 0.00 0.00 55.97 55.57 1mvg s LYS 88 Cb 0.00 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 36.01 1mvg s LYS 88 CO 0.00 -0.10 0.93 -0.51 0.10 0.00 0.00 175.35 175.77 1mvg s LEU 89 N 0.48 4.64 -0.01 2.77 1.43 0.25 -1.47 118.68 126.78 1mvg s LEU 89 Ca -0.01 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 1mvg s LEU 89 Cb -0.05 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1mvg s LEU 89 CO -0.01 0.16 -0.08 -0.69 0.23 0.00 0.00 176.35 175.95 1mvg s VAL 90 N -1.13 0.67 0.07 -1.59 1.01 -0.26 -1.48 120.40 117.68 1mvg s VAL 90 Ca 0.41 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1mvg s VAL 90 Cb -0.26 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.60 1mvg s VAL 90 CO 0.31 0.19 0.43 -0.89 0.00 0.00 0.00 175.10 175.14 1mvg s THR 91 N -0.16 0.05 -0.04 3.92 2.01 -0.92 -2.32 115.64 118.19 1mvg s THR 91 Ca 0.03 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 1mvg s THR 91 Cb -0.04 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1mvg s THR 91 CO -0.00 -0.25 0.12 -0.54 -0.69 0.00 0.00 174.62 173.26 1mvg s LYS 92 N -2.82 0.19 0.21 4.92 1.02 -1.26 -3.60 119.74 118.40 1mvg s LYS 92 Ca -0.03 0.08 -0.13 0.00 0.02 0.00 0.00 55.97 55.91 1mvg s LYS 92 Cb -0.00 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1mvg s LYS 92 CO -0.05 -0.03 0.43 0.45 -0.92 0.00 0.00 175.35 175.23 1mvg s SER 93 N -0.15 -0.10 -0.02 2.83 0.15 -0.21 -4.69 113.70 111.51 1mvg s SER 93 Ca -0.02 -0.78 0.06 0.00 0.70 0.00 0.00 55.95 55.91 1mvg s SER 93 Cb -0.02 0.54 0.20 0.00 -1.71 0.00 0.00 66.02 65.03 1mvg s SER 93 CO 0.00 -1.04 1.09 -0.62 1.20 0.00 0.00 173.24 173.87 1mvg n GLU 94 N -0.32 1.64 0.00 5.44 -0.58 -1.26 -3.48 120.64 122.09 1mvg n GLU 94 Ca -0.06 -0.80 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1mvg n GLU 94 Cb 0.62 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 1mvg n GLU 94 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1mvg n LYS 95 N 0.14 2.52 -3.54 3.49 0.00 -1.26 -4.88 118.16 114.63 1mvg n LYS 95 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.26 1mvg n LYS 95 Cb 0.26 -0.83 -0.04 0.00 0.00 0.00 0.00 35.03 34.42 1mvg n LYS 95 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1mvg s PHE 96 N -1.65 -0.43 0.05 5.64 2.19 -1.23 -1.05 117.98 121.51 1mvg s PHE 96 Ca 0.00 0.34 0.02 0.00 0.33 0.00 0.00 56.93 57.62 1mvg s PHE 96 Cb 0.00 0.40 -0.03 0.00 -1.31 0.00 0.00 43.02 42.08 1mvg s PHE 96 CO 0.00 -0.72 -0.07 0.45 1.83 0.00 0.00 175.22 176.71 1mvg s SER 97 N -2.35 0.86 -0.34 6.13 0.15 -0.42 -1.05 113.70 116.67 1mvg s SER 97 Ca -0.02 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.05 1mvg s SER 97 Cb -0.00 0.04 0.14 0.00 -1.71 0.00 0.00 66.02 64.49 1mvg s SER 97 CO -0.07 -0.23 0.27 -2.28 1.20 0.00 0.00 173.24 172.13 1mvg s HIS 98 N -1.59 0.13 -0.09 3.44 2.46 -1.24 -1.55 115.29 116.86 1mvg s HIS 98 Ca -0.08 -1.04 0.00 0.00 0.47 0.00 0.00 55.06 54.41 1mvg s HIS 98 Cb -0.09 -0.66 0.02 0.00 -0.13 0.00 0.00 32.58 31.73 1mvg s HIS 98 CO -0.00 -0.89 -0.08 -2.00 -2.47 0.00 0.00 174.74 169.29 1mvg s GLU 99 N 1.50 1.43 -0.27 2.88 2.12 -0.74 -2.17 118.70 123.46 1mvg s GLU 99 Ca 0.15 -0.26 -0.24 0.00 0.36 0.00 0.00 54.97 54.98 1mvg s GLU 99 Cb -0.18 -1.40 0.07 0.00 0.26 0.00 0.00 34.13 32.88 1mvg s GLU 99 CO -0.10 -0.16 0.71 1.14 -0.54 0.00 0.00 175.26 176.31 1mvg s GLN 100 N 1.32 0.82 -0.05 4.30 -2.07 -0.55 -0.79 119.66 122.65 1mvg s GLN 100 Ca -0.03 0.99 0.06 0.00 -1.82 0.00 0.00 55.36 54.56 1mvg s GLN 100 Cb -0.14 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 1mvg s GLN 100 CO -0.03 -0.10 -0.24 -2.00 -1.32 0.00 0.00 175.29 171.60 1mvg s GLU 101 N 0.40 2.35 -0.03 9.60 -6.30 -0.03 -0.58 118.70 124.11 1mvg s GLU 101 Ca -0.00 -0.86 0.02 0.00 -2.50 0.00 0.00 54.97 51.63 1mvg s GLU 101 Cb -0.05 -2.03 0.01 0.00 0.00 0.00 0.00 34.13 32.06 1mvg s GLU 101 CO 0.01 0.38 -0.06 0.08 0.02 0.00 0.00 175.26 175.69 1mvg s VAL 102 N -0.20 0.59 -0.29 3.70 1.01 -1.25 -1.33 120.40 122.64 1mvg s VAL 102 Ca -0.02 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1mvg s VAL 102 Cb -0.13 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.79 1mvg s VAL 102 CO 0.03 0.21 0.71 -0.75 0.00 0.00 0.00 175.10 175.29 1mvg s LYS 103 N 0.47 0.65 3.27 2.72 2.36 -1.07 -4.85 119.74 123.29 1mvg s LYS 103 Ca -0.06 1.23 0.00 0.00 -2.55 0.00 0.00 55.97 54.58 1mvg s LYS 103 Cb -0.10 0.30 0.00 0.00 -1.05 0.00 0.00 37.83 36.97 1mvg s LYS 103 CO 0.00 -0.15 0.00 0.41 1.55 0.00 0.00 175.35 177.16 1mvg n GLY 104 N 4.53 1.14 0.40 5.54 0.00 -1.26 -1.84 105.19 113.70 1mvg n GLY 104 Ca -0.18 0.32 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1mvg n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mvg n ASN 105 N 6.39 0.14 -3.72 1.61 3.02 -1.26 -4.99 115.26 116.45 1mvg n ASN 105 Ca 0.00 -1.91 -0.12 0.00 -0.03 0.00 0.00 54.58 52.52 1mvg n ASN 105 Cb 0.00 -0.18 -0.12 0.00 -0.61 0.00 0.00 39.78 38.87 1mvg n ASN 105 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1mvg s GLU 106 N -0.16 0.29 0.18 3.52 -6.30 -0.77 -1.18 118.70 114.29 1mvg s GLU 106 Ca 0.02 0.62 0.09 0.00 -2.50 0.00 0.00 54.97 53.20 1mvg s GLU 106 Cb 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 34.13 34.04 1mvg s GLU 106 CO 0.00 -0.15 -0.19 0.00 0.02 0.00 0.00 175.26 174.94 1mvg s MET 107 N 1.22 1.34 -0.07 4.30 0.23 -0.20 -2.58 119.30 123.53 1mvg s MET 107 Ca -0.09 -1.46 0.04 0.00 -1.03 0.00 0.00 55.69 53.15 1mvg s MET 107 Cb -0.09 -1.43 0.00 0.00 -1.53 0.00 0.00 34.83 31.78 1mvg s MET 107 CO -0.09 0.29 -0.18 0.08 -2.03 0.00 0.00 175.02 173.08 1mvg s VAL 108 N -2.06 1.58 -0.00 5.16 1.01 -0.44 -2.26 120.40 123.38 1mvg s VAL 108 Ca 0.18 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1mvg s VAL 108 Cb -0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1mvg s VAL 108 CO 0.08 0.45 -0.11 -1.83 0.00 0.00 0.00 175.10 173.69 1mvg s GLU 109 N 0.34 0.88 -0.06 2.72 -1.05 -0.08 -0.85 118.70 120.60 1mvg s GLU 109 Ca -0.13 -0.42 0.02 0.00 -0.15 0.00 0.00 54.97 54.29 1mvg s GLU 109 Cb -0.15 -0.85 0.02 0.00 -0.44 0.00 0.00 34.13 32.71 1mvg s GLU 109 CO 0.05 0.23 -0.09 0.99 0.95 0.00 0.00 175.26 177.39 1mvg s THR 110 N -0.31 0.87 0.14 1.83 2.01 0.03 -1.55 115.64 118.67 1mvg s THR 110 Ca 0.04 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.81 1mvg s THR 110 Cb -0.05 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1mvg s THR 110 CO -0.00 0.30 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.38 1mvg s ILE 111 N 0.82 1.94 0.03 1.82 -1.09 -0.65 -1.78 121.20 122.28 1mvg s ILE 111 Ca -0.12 -1.80 0.02 0.00 -2.23 0.00 0.00 60.65 56.53 1mvg s ILE 111 Cb -0.15 -1.82 -0.02 0.00 -1.58 0.00 0.00 42.46 38.89 1mvg s ILE 111 CO 0.02 -0.14 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.61 1mvg s THR 112 N -1.56 0.59 -0.26 2.92 2.01 -0.59 -0.78 115.64 117.97 1mvg s THR 112 Ca 0.13 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 1mvg s THR 112 Cb -0.08 -0.59 0.08 0.00 0.01 0.00 0.00 72.50 71.92 1mvg s THR 112 CO 0.06 -0.14 0.04 0.12 -0.69 0.00 0.00 174.62 174.01 1mvg s PHE 113 N -0.86 1.79 0.00 4.92 5.36 -0.39 -1.30 117.98 127.50 1mvg s PHE 113 Ca -0.04 -1.55 0.00 0.00 -0.96 0.00 0.00 56.93 54.38 1mvg s PHE 113 Cb -0.07 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 1mvg s PHE 113 CO 0.00 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.40 1mvg n GLY 114 N 4.83 0.00 0.00 13.12 0.00 -0.21 -1.14 105.19 121.79 1mvg n GLY 114 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1mvg n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mvg n GLY 115 N 0.00 3.96 3.24 -0.02 0.00 -1.26 -5.07 105.19 106.04 1mvg n GLY 115 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1mvg n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mvg s VAL 116 N 0.00 1.85 -0.07 1.61 1.01 -0.29 -5.14 120.40 119.38 1mvg s VAL 116 Ca 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1mvg s VAL 116 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1mvg s VAL 116 CO 0.00 0.52 -0.24 -0.89 0.00 0.00 0.00 175.10 174.49 1mvg s THR 117 N -0.30 2.04 -0.02 3.92 2.01 -1.26 -1.26 115.64 120.77 1mvg s THR 117 Ca 0.02 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1mvg s THR 117 Cb -0.11 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1mvg s THR 117 CO 0.01 0.56 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.49 1mvg s LEU 118 N 0.01 2.06 0.00 4.42 1.02 0.04 -4.76 118.68 121.48 1mvg s LEU 118 Ca -0.09 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.61 1mvg s LEU 118 Cb -0.15 -1.34 -0.01 0.00 0.02 0.00 0.00 46.19 44.71 1mvg s LEU 118 CO 0.05 0.32 -0.05 0.27 0.02 0.00 0.00 176.35 176.96 1mvg s ILE 119 N -0.62 0.41 0.11 -0.59 -5.25 -0.77 -1.64 121.20 112.86 1mvg s ILE 119 Ca 0.10 -0.36 -0.25 0.00 -0.99 0.00 0.00 60.65 59.15 1mvg s ILE 119 Cb -0.10 -0.38 0.08 0.00 2.95 0.00 0.00 42.46 45.01 1mvg s ILE 119 CO -0.01 0.02 0.72 0.00 -1.79 0.00 0.00 174.94 173.88 1mvg s ARG 120 N -0.37 1.13 0.01 0.37 1.70 -0.60 -1.09 118.95 120.12 1mvg s ARG 120 Ca -0.00 -0.44 0.02 0.00 -0.47 0.00 0.00 55.73 54.84 1mvg s ARG 120 Cb -0.03 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1mvg s ARG 120 CO -0.00 -0.50 -0.07 1.03 -1.08 0.00 0.00 175.30 174.68 1mvg s ARG 121 N -3.52 0.49 0.10 3.89 3.00 -0.19 -0.90 118.95 121.82 1mvg s ARG 121 Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 55.73 55.37 1mvg s ARG 121 Cb -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 34.95 34.50 1mvg s ARG 121 CO -0.10 0.10 -0.10 -1.12 0.00 0.00 0.00 175.30 174.08 1mvg s SER 122 N -0.70 1.43 0.01 0.23 0.01 -0.96 -1.57 113.70 112.16 1mvg s SER 122 Ca -0.02 -0.83 0.07 0.00 1.31 0.00 0.00 55.95 56.47 1mvg s SER 122 Cb -0.05 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1mvg s SER 122 CO 0.00 -0.28 -0.20 -0.75 0.41 0.00 0.00 173.24 172.42 1mvg s LYS 123 N -2.88 1.51 0.38 12.44 2.20 -0.30 -1.03 119.74 132.07 1mvg s LYS 123 Ca 0.06 -0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 54.59 1mvg s LYS 123 Cb -0.02 -1.53 -0.09 0.00 -1.51 0.00 0.00 37.83 34.67 1mvg s LYS 123 CO -0.00 0.41 1.31 0.50 -0.36 0.00 0.00 175.35 177.20 1mvg s ARG 124 N -0.77 4.09 0.00 4.03 3.52 -0.32 -1.04 118.95 128.46 1mvg s ARG 124 Ca 0.07 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 1mvg s ARG 124 Cb -0.08 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1mvg s ARG 124 CO 0.00 -0.40 0.33 0.28 -0.81 0.00 0.00 175.30 174.70