#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvg h PHE 2 N 0.00 -0.03 -5.94 0.00 0.04 -1.96 -3.48 116.94 105.57 1mvg h PHE 2 Ca 0.00 -0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.56 1mvg h PHE 2 Cb 0.00 0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1mvg h PHE 2 CO 0.00 0.23 -0.70 0.45 -0.60 0.00 0.00 178.31 177.69 1mvg n SER 3 N -4.98 -6.64 0.00 2.17 2.88 -1.26 -4.98 113.62 100.82 1mvg n SER 3 Ca -0.08 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1mvg n SER 3 Cb 0.15 -3.63 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 1mvg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mvg n GLY 4 N -0.89 -1.05 3.43 0.46 0.00 -0.01 -4.94 105.19 102.19 1mvg n GLY 4 Ca -0.05 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 2.58 -0.04 2.61 2.01 -1.26 -0.98 115.64 117.56 1mvg s THR 5 Ca 0.00 -1.45 -0.03 0.00 0.31 0.00 0.00 61.69 60.52 1mvg s THR 5 Cb 0.00 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1mvg s THR 5 CO 0.00 0.21 0.09 0.26 -0.69 0.00 0.00 174.62 174.49 1mvg s TRP 6 N -1.01 -0.10 -0.30 4.92 0.52 -0.09 -0.90 118.94 122.00 1mvg s TRP 6 Ca 0.15 0.25 -0.04 0.00 0.02 0.00 0.00 56.10 56.49 1mvg s TRP 6 Cb -0.10 0.01 0.03 0.00 -1.15 0.00 0.00 33.47 32.26 1mvg s TRP 6 CO 0.06 -0.06 0.02 -1.14 0.02 0.00 0.00 176.95 175.86 1mvg s GLN 7 N 0.19 2.68 0.35 4.98 2.00 -0.43 -1.30 119.66 128.13 1mvg s GLN 7 Ca -0.01 -1.11 -0.28 0.00 -2.00 0.00 0.00 55.36 51.96 1mvg s GLN 7 Cb -0.02 -3.23 -0.12 0.00 0.80 0.00 0.00 33.01 30.44 1mvg s GLN 7 CO -0.01 -0.55 1.36 0.28 -0.50 0.00 0.00 175.29 175.88 1mvg n VAL 8 N 4.72 1.94 0.00 1.34 0.31 -1.20 -1.20 118.33 124.24 1mvg n VAL 8 Ca -0.14 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1mvg n VAL 8 Cb 0.45 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 0.46 0.00 -4.68 3.52 4.11 -0.25 -4.74 117.16 115.57 1mvg n TYR 9 Ca 0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.68 1mvg n TYR 9 Cb 0.37 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.56 1mvg n TYR 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1mvg s ALA 10 N -1.72 1.70 -0.10 -3.48 0.00 -1.00 -5.01 121.76 112.16 1mvg s ALA 10 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1mvg s ALA 10 Cb 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1mvg s ALA 10 CO 0.00 0.39 0.20 -0.65 0.00 0.00 0.00 175.76 175.70 1mvg s GLN 11 N -1.05 0.09 -0.00 0.00 -0.21 -1.26 -1.40 119.66 115.82 1mvg s GLN 11 Ca 0.07 0.62 -0.00 0.00 0.02 0.00 0.00 55.36 56.06 1mvg s GLN 11 Cb -0.09 -0.17 0.00 0.00 1.00 0.00 0.00 33.01 33.75 1mvg s GLN 11 CO 0.01 -0.28 0.01 -2.00 -2.12 0.00 0.00 175.29 170.91 1mvg s GLU 12 N 2.20 0.01 -1.65 2.91 2.12 -0.07 -4.78 118.70 119.44 1mvg s GLU 12 Ca 0.01 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.36 1mvg s GLU 12 Cb -0.12 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1mvg s GLU 12 CO -0.07 -0.00 0.00 -1.71 -0.54 0.00 0.00 175.26 172.94 1mvg n ASN 13 N 3.08 -5.32 -0.04 -1.70 5.15 -1.26 -1.57 115.26 113.60 1mvg n ASN 13 Ca -0.12 0.38 -0.19 0.00 -0.60 0.00 0.00 54.58 54.05 1mvg n ASN 13 Cb 0.60 -4.18 -0.13 0.00 -0.53 0.00 0.00 39.78 35.53 1mvg n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1mvg h TYR 14 N 0.00 0.21 -0.83 1.20 3.20 -1.86 -3.21 116.97 115.68 1mvg h TYR 14 Ca -0.32 -0.15 0.11 0.00 3.14 0.00 0.00 58.73 61.51 1mvg h TYR 14 Cb 1.16 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 1mvg h TYR 14 CO 0.53 1.34 0.54 1.05 -1.64 0.00 0.00 178.16 179.98 1mvg h GLU 15 N -0.70 0.72 -0.32 1.82 4.11 -1.90 -0.84 114.58 117.47 1mvg h GLU 15 Ca -0.20 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.18 1mvg h GLU 15 Cb 1.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1mvg h GLU 15 CO -0.02 0.48 0.20 0.93 0.07 0.00 0.00 179.01 180.67 1mvg h GLU 16 N 0.74 0.44 0.07 1.06 5.08 -1.94 -0.31 114.58 119.72 1mvg h GLU 16 Ca 0.39 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1mvg h GLU 16 Cb 0.50 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1mvg h GLU 16 CO -0.16 0.33 -0.03 0.35 -1.00 0.00 0.00 179.01 178.50 1mvg h PHE 17 N 0.42 -0.08 -0.94 4.33 3.57 -1.31 -0.18 116.94 122.76 1mvg h PHE 17 Ca 0.12 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1mvg h PHE 17 Cb -0.00 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 1mvg h PHE 17 CO -0.04 0.11 0.57 -0.07 -2.23 0.00 0.00 178.31 176.65 1mvg h LEU 18 N -0.26 0.85 -0.82 0.59 3.38 -1.10 0.23 115.31 118.18 1mvg h LEU 18 Ca -0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1mvg h LEU 18 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1mvg h LEU 18 CO 0.01 0.48 -0.06 0.50 0.09 0.00 0.00 178.44 179.46 1mvg h LYS 19 N 0.95 0.82 0.00 1.13 3.11 -0.87 -2.26 116.57 119.45 1mvg h LYS 19 Ca 0.45 -0.26 -0.04 0.00 -2.81 0.00 0.00 60.65 57.99 1mvg h LYS 19 Cb 0.40 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1mvg h LYS 19 CO -0.25 0.87 -0.21 0.00 -2.81 0.00 0.00 179.45 177.05 1mvg h ALA 20 N 1.17 1.27 -2.43 5.00 0.00 0.40 -3.44 119.26 121.22 1mvg h ALA 20 Ca 0.13 -0.19 -0.46 0.00 0.00 0.00 0.00 54.91 54.40 1mvg h ALA 20 Cb 0.55 -0.03 0.13 0.00 0.00 0.00 0.00 17.79 18.44 1mvg h ALA 20 CO 0.03 0.26 0.31 -0.51 0.00 0.00 0.00 179.25 179.35 1mvg s LEU 21 N -7.45 2.05 0.32 0.00 1.43 -0.07 -4.97 118.68 109.99 1mvg s LEU 21 Ca -0.02 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1mvg s LEU 21 Cb 0.13 -3.13 0.56 0.00 0.03 0.00 0.00 46.19 43.78 1mvg s LEU 21 CO 0.64 -2.59 1.96 0.00 0.23 0.00 0.00 176.35 176.59 1mvg h ALA 22 N -1.53 1.52 -2.65 4.21 0.00 -1.85 -3.44 119.26 115.52 1mvg h ALA 22 Ca -0.49 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 53.86 1mvg h ALA 22 Cb 1.32 -0.28 0.06 0.00 0.00 0.00 0.00 17.79 18.89 1mvg h ALA 22 CO 0.58 0.40 0.94 -0.48 0.00 0.00 0.00 179.25 180.70 1mvg s LEU 23 N -9.86 4.37 0.83 0.00 2.34 -1.26 -4.97 118.68 110.12 1mvg s LEU 23 Ca -0.11 2.78 -0.12 0.00 0.06 0.00 0.00 54.13 56.74 1mvg s LEU 23 Cb 0.19 -3.60 0.09 0.00 -0.56 0.00 0.00 46.19 42.30 1mvg s LEU 23 CO 0.78 -0.90 1.14 -2.16 -1.06 0.00 0.00 176.35 174.15 1mvg s PRO 24 N 0.97 1.82 0.39 1.48 0.04 -1.26 -4.66 135.00 133.78 1mvg s PRO 24 Ca 0.72 0.33 0.19 0.00 0.04 0.00 0.00 61.00 62.27 1mvg s PRO 24 Cb -0.47 -1.91 1.12 0.00 0.04 0.00 0.00 34.50 33.27 1mvg s PRO 24 CO 0.33 -1.74 1.75 1.05 0.04 0.00 0.00 177.00 178.44 1mvg h GLU 25 N -1.17 0.37 -0.84 4.56 4.11 -1.93 0.12 114.58 119.80 1mvg h GLU 25 Ca -0.48 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 58.95 1mvg h GLU 25 Cb 1.31 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1mvg h GLU 25 CO 0.63 0.24 0.56 0.22 0.07 0.00 0.00 179.01 180.73 1mvg h ASP 26 N 0.38 0.95 0.58 3.06 1.82 -2.00 -1.09 116.42 120.11 1mvg h ASP 26 Ca 0.62 -0.02 -0.28 0.00 -0.39 0.00 0.00 57.03 56.96 1mvg h ASP 26 Cb 1.58 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 41.32 1mvg h ASP 26 CO -0.33 0.68 -1.54 -0.07 -1.61 0.00 0.00 179.24 176.38 1mvg h LEU 27 N 1.12 0.09 -1.10 2.28 3.38 -1.15 -3.30 115.31 116.63 1mvg h LEU 27 Ca 0.31 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1mvg h LEU 27 Cb -0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1mvg h LEU 27 CO -0.07 1.14 0.21 0.16 0.09 0.00 0.00 178.44 179.96 1mvg h ILE 28 N 0.02 1.21 -0.95 1.22 -0.00 -1.04 -1.72 117.51 116.25 1mvg h ILE 28 Ca -0.22 -0.70 0.17 0.00 -0.00 0.00 0.00 64.86 64.10 1mvg h ILE 28 Cb 1.96 0.55 -0.08 0.00 -0.00 0.00 0.00 36.82 39.25 1mvg h ILE 28 CO 0.11 0.27 0.60 0.50 -0.00 0.00 0.00 178.15 179.63 1mvg h LYS 29 N 0.83 0.69 0.00 0.16 3.64 -1.29 0.34 116.57 120.94 1mvg h LYS 29 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1mvg h LYS 29 Cb 0.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1mvg h LYS 29 CO -0.01 0.46 0.00 0.52 -2.27 0.00 0.00 179.45 178.14 1mvg h MET 30 N 0.71 0.00 0.00 1.90 2.86 -1.38 -3.18 114.93 115.84 1mvg h MET 30 Ca 0.50 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.07 1mvg h MET 30 Cb 0.83 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.33 1mvg h MET 30 CO -0.27 0.00 -0.66 0.00 1.06 0.00 0.00 176.91 177.04 1mvg n ALA 31 N -1.97 2.57 -0.07 6.32 0.00 -0.56 -4.87 120.51 121.93 1mvg n ALA 31 Ca 0.02 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1mvg n ALA 31 Cb 0.32 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1mvg n ALA 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mvg n ARG 32 N -0.23 0.00 -2.59 0.00 0.63 0.11 -4.34 116.66 110.24 1mvg n ARG 32 Ca 0.09 0.47 -0.26 0.00 -0.92 0.00 0.00 57.85 57.23 1mvg n ARG 32 Cb 0.88 -1.23 -0.01 0.00 0.45 0.00 0.00 32.46 32.55 1mvg n ARG 32 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1mvg n ASP 33 N -1.90 4.40 -4.23 6.15 8.00 -1.26 -4.51 116.55 123.20 1mvg n ASP 33 Ca 0.00 -3.64 -0.33 0.00 0.71 0.00 0.00 54.79 51.53 1mvg n ASP 33 Cb 0.00 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.46 1mvg n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mvg s ILE 34 N -5.13 2.53 -0.62 0.53 1.09 -1.26 -5.09 121.20 113.24 1mvg s ILE 34 Ca 0.47 -0.81 -0.08 0.00 -1.10 0.00 0.00 60.65 59.13 1mvg s ILE 34 Cb 0.38 -2.07 0.16 0.00 -1.06 0.00 0.00 42.46 39.88 1mvg s ILE 34 CO -0.16 0.52 0.48 -0.54 -0.10 0.00 0.00 174.94 175.14 1mvg s LYS 35 N 0.94 2.77 0.91 2.79 1.02 -1.26 -4.98 119.74 121.93 1mvg s LYS 35 Ca -0.03 -2.25 -0.13 0.00 0.02 0.00 0.00 55.97 53.57 1mvg s LYS 35 Cb -0.15 -3.96 0.14 0.00 -0.52 0.00 0.00 37.83 33.35 1mvg s LYS 35 CO -0.03 -1.21 1.19 -1.25 -0.92 0.00 0.00 175.35 173.14 1mvg s PRO 36 N 0.47 1.13 0.11 -1.68 0.04 -1.26 -4.62 135.00 129.19 1mvg s PRO 36 Ca 0.13 0.06 -0.28 0.00 0.04 0.00 0.00 61.00 60.95 1mvg s PRO 36 Cb -0.20 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1mvg s PRO 36 CO -0.04 -2.16 0.89 0.42 0.04 0.00 0.00 177.00 176.15 1mvg s ILE 37 N -3.49 4.52 0.02 0.56 -1.09 -0.67 -3.24 121.20 117.82 1mvg s ILE 37 Ca 0.66 1.93 0.07 0.00 -2.23 0.00 0.00 60.65 61.07 1mvg s ILE 37 Cb -0.11 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.50 1mvg s ILE 37 CO 0.52 0.36 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.70 1mvg s VAL 38 N -0.20 1.63 -0.23 2.92 1.01 -0.42 -1.25 120.40 123.86 1mvg s VAL 38 Ca 0.43 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1mvg s VAL 38 Cb -0.23 -1.39 0.12 0.00 0.00 0.00 0.00 36.38 34.88 1mvg s VAL 38 CO 0.28 0.29 0.41 -0.70 0.00 0.00 0.00 175.10 175.38 1mvg s GLU 39 N -0.92 0.36 -0.07 2.72 -6.30 -0.21 -0.91 118.70 113.36 1mvg s GLU 39 Ca 0.07 0.75 0.00 0.00 -2.50 0.00 0.00 54.97 53.30 1mvg s GLU 39 Cb -0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 34.13 33.91 1mvg s GLU 39 CO 0.01 -0.50 -0.05 0.42 0.02 0.00 0.00 175.26 175.15 1mvg s ILE 40 N 2.60 3.85 -0.01 -3.70 1.09 -0.15 -0.75 121.20 124.12 1mvg s ILE 40 Ca 0.08 -0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 59.19 1mvg s ILE 40 Cb -0.14 -2.59 0.00 0.00 -1.06 0.00 0.00 42.46 38.67 1mvg s ILE 40 CO -0.15 0.59 0.02 -1.58 -0.10 0.00 0.00 174.94 173.72 1mvg s GLN 41 N -0.86 0.02 0.37 2.79 0.74 -0.73 -0.83 119.66 121.16 1mvg s GLN 41 Ca 0.13 0.04 0.08 0.00 0.05 0.00 0.00 55.36 55.66 1mvg s GLN 41 Cb -0.11 0.00 -0.06 0.00 1.10 0.00 0.00 33.01 33.94 1mvg s GLN 41 CO 0.02 -0.01 0.06 1.14 -0.55 0.00 0.00 175.29 175.95 1mvg s GLN 42 N 0.06 2.12 -0.38 1.67 -2.07 -1.26 -1.15 119.66 118.64 1mvg s GLN 42 Ca -0.00 -1.81 0.12 0.00 -1.82 0.00 0.00 55.36 51.84 1mvg s GLN 42 Cb -0.01 -1.92 0.37 0.00 -1.09 0.00 0.00 33.01 30.37 1mvg s GLN 42 CO -0.00 0.04 0.97 1.17 -1.32 0.00 0.00 175.29 176.14 1mvg n LYS 43 N -1.04 1.05 0.00 9.60 3.00 -0.86 -5.00 118.16 124.91 1mvg n LYS 43 Ca -0.03 -2.78 0.00 0.00 -0.00 0.00 0.00 58.31 55.50 1mvg n LYS 43 Cb 0.63 -1.20 0.00 0.00 0.00 0.00 0.00 35.03 34.47 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 0.09 0.46 0.32 3.14 0.00 -1.26 -4.56 105.19 103.38 1mvg n GLY 44 Ca 0.13 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.37 1mvg n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mvg h ASP 45 N 0.00 0.68 -3.70 1.61 3.32 -1.98 -3.42 116.42 112.94 1mvg h ASP 45 Ca 0.00 -0.05 -0.51 0.00 0.02 0.00 0.00 57.03 56.49 1mvg h ASP 45 Cb 0.00 -0.17 0.03 0.00 0.22 0.00 0.00 39.33 39.40 1mvg h ASP 45 CO 0.00 0.55 0.53 -0.62 -1.72 0.00 0.00 179.24 177.98 1mvg s ASP 46 N -6.54 7.12 0.09 6.45 -1.08 -1.26 -2.24 116.67 119.21 1mvg s ASP 46 Ca -0.10 2.33 -0.19 0.00 -0.52 0.00 0.00 52.55 54.07 1mvg s ASP 46 Cb 0.17 -2.62 0.04 0.00 -1.46 0.00 0.00 42.92 39.05 1mvg s ASP 46 CO 0.77 -0.29 0.46 0.72 0.52 0.00 0.00 175.17 177.34 1mvg s PHE 47 N -0.74 -0.32 -0.02 -5.34 -0.71 -0.54 -2.03 117.98 108.29 1mvg s PHE 47 Ca 0.48 0.18 0.04 0.00 -1.04 0.00 0.00 56.93 56.60 1mvg s PHE 47 Cb -0.34 0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1mvg s PHE 47 CO 0.41 -0.67 -0.15 0.08 -1.34 0.00 0.00 175.22 173.56 1mvg s VAL 48 N -3.10 1.18 -0.19 -2.49 1.01 -0.30 -1.91 120.40 114.60 1mvg s VAL 48 Ca -0.02 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1mvg s VAL 48 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1mvg s VAL 48 CO -0.07 0.34 -0.01 -0.69 0.00 0.00 0.00 175.10 174.67 1mvg s VAL 49 N -0.22 3.94 -0.03 2.92 1.01 -0.04 -1.78 120.40 126.20 1mvg s VAL 49 Ca 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1mvg s VAL 49 Cb -0.07 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1mvg s VAL 49 CO 0.00 0.45 -0.21 -0.89 0.00 0.00 0.00 175.10 174.45 1mvg s THR 50 N 0.81 1.68 -0.05 3.92 2.01 0.07 -0.99 115.64 123.08 1mvg s THR 50 Ca 0.00 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1mvg s THR 50 Cb -0.14 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1mvg s THR 50 CO 0.02 0.47 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.93 1mvg s SER 51 N -0.33 1.11 -0.14 3.53 0.01 0.01 -1.05 113.70 116.84 1mvg s SER 51 Ca 0.04 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1mvg s SER 51 Cb -0.10 -0.51 0.02 0.00 0.21 0.00 0.00 66.02 65.64 1mvg s SER 51 CO 0.01 -0.05 -0.15 -0.75 0.41 0.00 0.00 173.24 172.70 1mvg s LYS 52 N 0.94 2.40 0.19 12.44 2.20 -0.38 -1.41 119.74 136.12 1mvg s LYS 52 Ca -0.11 -0.61 0.10 0.00 -0.36 0.00 0.00 55.97 55.00 1mvg s LYS 52 Cb -0.14 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 1mvg s LYS 52 CO 0.00 -0.18 -0.21 0.95 -0.36 0.00 0.00 175.35 175.55 1mvg s THR 53 N 1.32 2.12 -0.01 3.43 -4.23 -0.97 -1.67 115.64 115.64 1mvg s THR 53 Ca 0.02 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1mvg s THR 53 Cb -0.13 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1mvg s THR 53 CO -0.08 -0.24 2.07 -0.81 -0.54 0.00 0.00 174.62 175.02 1mvg n PRO 54 N 0.18 1.06 0.01 3.99 -0.04 -1.26 -3.09 135.00 135.85 1mvg n PRO 54 Ca -0.12 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1mvg n PRO 54 Cb 0.57 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 1.52 0.00 -3.45 0.54 5.12 -1.26 -5.15 116.66 113.98 1mvg n ARG 55 Ca 0.02 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.82 1mvg n ARG 55 Cb 0.52 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.79 1mvg n ARG 55 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1mvg s GLN 56 N -2.00 1.25 0.04 5.56 0.74 -1.18 -5.18 119.66 118.89 1mvg s GLN 56 Ca 0.00 -0.49 0.05 0.00 0.05 0.00 0.00 55.36 54.97 1mvg s GLN 56 Cb 0.00 0.57 -0.04 0.00 1.10 0.00 0.00 33.01 34.65 1mvg s GLN 56 CO 0.00 -0.54 -0.08 0.95 -0.55 0.00 0.00 175.29 175.07 1mvg s THR 57 N -3.70 3.51 0.00 -0.34 -4.23 -1.26 -2.29 115.64 107.32 1mvg s THR 57 Ca 0.01 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1mvg s THR 57 Cb -0.01 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1mvg s THR 57 CO -0.12 0.28 0.03 -0.69 -0.54 0.00 0.00 174.62 173.57 1mvg s VAL 58 N -1.08 0.07 0.08 2.29 1.01 -0.50 -5.03 120.40 117.23 1mvg s VAL 58 Ca 0.19 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 1mvg s VAL 58 Cb -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.06 1mvg s VAL 58 CO 0.10 -0.31 0.29 0.28 0.00 0.00 0.00 175.10 175.46 1mvg s THR 59 N -0.94 0.10 -0.02 3.92 -1.32 -1.26 -0.81 115.64 115.31 1mvg s THR 59 Ca -0.10 -0.81 -0.20 0.00 -1.21 0.00 0.00 61.69 59.36 1mvg s THR 59 Cb -0.06 -1.12 0.04 0.00 -1.51 0.00 0.00 72.50 69.84 1mvg s THR 59 CO -0.00 -0.45 0.43 0.21 -2.21 0.00 0.00 174.62 172.60 1mvg s ASN 60 N -2.50 -0.34 0.12 8.08 3.84 -0.16 -4.98 114.94 118.99 1mvg s ASN 60 Ca 0.00 0.27 0.10 0.00 0.21 0.00 0.00 52.86 53.44 1mvg s ASN 60 Cb 0.02 0.39 -0.04 0.00 -0.55 0.00 0.00 41.25 41.07 1mvg s ASN 60 CO -0.08 -0.52 -0.24 -0.94 -2.79 0.00 0.00 177.10 172.54 1mvg s SER 61 N -1.35 2.94 0.27 -4.21 1.04 -1.26 -0.86 113.70 110.27 1mvg s SER 61 Ca -0.12 -0.73 -0.18 0.00 0.48 0.00 0.00 55.95 55.40 1mvg s SER 61 Cb -0.03 -0.18 0.07 0.00 0.10 0.00 0.00 66.02 65.97 1mvg s SER 61 CO 0.05 0.11 0.89 2.22 0.98 0.00 0.00 173.24 177.50 1mvg n PHE 62 N 0.92 -1.78 -4.08 5.02 1.16 -0.80 -4.82 117.46 113.08 1mvg n PHE 62 Ca -0.18 -1.48 -0.17 0.00 -1.87 0.00 0.00 57.45 53.75 1mvg n PHE 62 Cb 0.54 0.73 -0.15 0.00 -1.61 0.00 0.00 39.48 38.99 1mvg n PHE 62 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1mvg s THR 63 N -2.10 0.35 0.36 1.97 2.01 -1.26 -1.47 115.64 115.51 1mvg s THR 63 Ca 0.19 -0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 1mvg s THR 63 Cb -0.04 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1mvg s THR 63 CO 0.08 0.14 1.17 -1.48 -0.69 0.00 0.00 174.62 173.84 1mvg s LEU 64 N 0.45 4.31 0.00 4.42 0.05 -0.95 -3.71 118.68 123.25 1mvg s LEU 64 Ca -0.05 2.36 0.00 0.00 0.05 0.00 0.00 54.13 56.49 1mvg s LEU 64 Cb -0.08 -3.89 0.00 0.00 -2.05 0.00 0.00 46.19 40.17 1mvg s LEU 64 CO -0.01 -0.52 0.00 0.61 -0.55 0.00 0.00 176.35 175.88 1mvg n GLY 65 N 0.76 3.09 3.65 -3.48 0.00 0.62 -4.94 105.19 104.88 1mvg n GLY 65 Ca 0.02 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 2.07 0.62 1.61 2.47 -1.06 -4.74 119.74 120.71 1mvg s LYS 66 Ca 0.00 -2.29 -0.15 0.00 -1.56 0.00 0.00 55.97 51.97 1mvg s LYS 66 Cb 0.00 -1.13 -0.02 0.00 -1.46 0.00 0.00 37.83 35.22 1mvg s LYS 66 CO 0.00 -0.40 1.06 -1.21 0.16 0.00 0.00 175.35 174.96 1mvg s GLU 67 N -3.80 3.17 -0.03 4.03 2.02 -1.26 -1.43 118.70 121.40 1mvg s GLU 67 Ca 0.15 1.18 -0.19 0.00 0.02 0.00 0.00 54.97 56.13 1mvg s GLU 67 Cb 0.02 -2.01 0.04 0.00 0.10 0.00 0.00 34.13 32.28 1mvg s GLU 67 CO 0.09 -0.93 0.40 0.00 0.02 0.00 0.00 175.26 174.84 1mvg s ALA 68 N -2.55 -1.03 0.11 5.21 0.00 -1.13 -4.82 121.76 117.56 1mvg s ALA 68 Ca 0.63 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 1mvg s ALA 68 Cb -0.16 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 1mvg s ALA 68 CO 0.41 -0.28 0.74 0.34 0.00 0.00 0.00 175.76 176.97 1mvg s ASP 69 N -1.22 7.29 0.06 0.00 2.15 -1.26 -3.19 116.67 120.50 1mvg s ASP 69 Ca -0.12 1.53 0.06 0.00 0.43 0.00 0.00 52.55 54.44 1mvg s ASP 69 Cb -0.04 -2.47 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 1mvg s ASP 69 CO 0.05 0.16 -0.17 -0.63 -0.17 0.00 0.00 175.17 174.42 1mvg s ILE 70 N -0.80 1.36 -0.08 4.11 1.01 -0.23 -4.85 121.20 121.72 1mvg s ILE 70 Ca 0.35 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1mvg s ILE 70 Cb -0.22 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1mvg s ILE 70 CO 0.24 -0.03 -0.18 -0.89 0.00 0.00 0.00 174.94 174.08 1mvg s THR 71 N -1.02 2.70 0.00 2.92 2.01 -1.26 -0.90 115.64 120.08 1mvg s THR 71 Ca 0.03 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1mvg s THR 71 Cb -0.09 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.36 1mvg s THR 71 CO 0.02 0.56 0.35 0.41 -0.69 0.00 0.00 174.62 175.27 1mvg n THR 72 N 2.98 0.00 0.07 -0.82 -1.04 -1.22 -5.01 114.28 109.25 1mvg n THR 72 Ca -0.18 0.72 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1mvg n THR 72 Cb 0.52 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 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 -0.47 0.00 0.00 -2.82 2.81 -1.26 -5.04 117.12 110.34 1mvg n MET 73 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1mvg n MET 73 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -2.86 0.00 0.00 7.83 2.03 -1.26 -4.89 116.55 117.40 1mvg n ASP 74 Ca 0.00 0.70 0.00 0.00 0.52 0.00 0.00 54.79 56.01 1mvg n ASP 74 Cb 0.00 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1mvg n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mvg n GLY 75 N 0.38 -0.06 2.65 0.27 0.00 -1.26 -5.08 105.19 102.09 1mvg n GLY 75 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1mvg n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mvg n LYS 76 N 0.00 2.09 -2.50 1.61 5.02 -1.26 -5.05 118.16 118.06 1mvg n LYS 76 Ca 0.00 -4.51 -0.34 0.00 -2.02 0.00 0.00 58.31 51.44 1mvg n LYS 76 Cb 0.00 -2.23 -0.03 0.00 -0.02 0.00 0.00 35.03 32.75 1mvg n LYS 76 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1mvg s LYS 77 N -1.89 3.77 0.34 1.97 -2.85 -1.26 -3.40 119.74 116.42 1mvg s LYS 77 Ca 0.32 1.34 -0.02 0.00 -1.00 0.00 0.00 55.97 56.61 1mvg s LYS 77 Cb 0.05 -2.09 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1mvg s LYS 77 CO -0.10 -0.45 0.47 -0.48 0.10 0.00 0.00 175.35 174.89 1mvg s LEU 78 N -3.57 1.02 0.11 2.77 2.34 -0.08 -4.99 118.68 116.27 1mvg s LEU 78 Ca 0.67 -1.49 -0.21 0.00 0.06 0.00 0.00 54.13 53.16 1mvg s LEU 78 Cb -0.16 1.46 0.06 0.00 -0.56 0.00 0.00 46.19 46.98 1mvg s LEU 78 CO 0.21 -1.30 0.53 -1.59 -1.06 0.00 0.00 176.35 173.15 1mvg s LYS 79 N -3.06 1.15 0.16 1.48 0.00 -1.26 -1.06 119.74 117.15 1mvg s LYS 79 Ca 0.31 -0.44 -0.21 0.00 0.00 0.00 0.00 55.97 55.63 1mvg s LYS 79 Cb -0.00 0.52 0.06 0.00 0.00 0.00 0.00 37.83 38.40 1mvg s LYS 79 CO 0.20 -0.46 0.55 0.00 0.00 0.00 0.00 175.35 175.64 1mvg s THR 81 N -3.78 3.53 -0.75 0.00 2.01 -1.26 -2.82 115.64 112.58 1mvg s THR 81 Ca 0.03 0.31 -0.26 0.00 0.31 0.00 0.00 61.69 62.08 1mvg s THR 81 Cb -0.00 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1mvg s THR 81 CO -0.11 -1.35 1.63 -0.69 -0.69 0.00 0.00 174.62 173.41 1mvg s VAL 82 N 7.47 3.56 0.08 3.82 1.01 -0.51 -4.44 120.40 131.38 1mvg s VAL 82 Ca 0.52 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1mvg s VAL 82 Cb -0.10 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1mvg s VAL 82 CO 0.18 -1.35 -0.10 -1.38 0.00 0.00 0.00 175.10 172.45 1mvg s HIS 83 N 7.64 0.95 -0.03 5.22 -3.43 -1.26 -0.28 115.29 124.10 1mvg s HIS 83 Ca 0.54 -0.61 0.01 0.00 -0.80 0.00 0.00 55.06 54.21 1mvg s HIS 83 Cb -0.09 -0.53 0.02 0.00 -1.43 0.00 0.00 32.58 30.55 1mvg s HIS 83 CO 0.12 -0.03 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.62 1mvg s LEU 84 N -2.15 1.41 -0.52 5.38 0.20 -1.26 -1.53 118.68 120.20 1mvg s LEU 84 Ca 0.00 -0.10 0.04 0.00 0.69 0.00 0.00 54.13 54.76 1mvg s LEU 84 Cb -0.05 -0.36 0.14 0.00 -0.43 0.00 0.00 46.19 45.48 1mvg s LEU 84 CO -0.00 -0.04 0.28 0.00 -0.29 0.00 0.00 176.35 176.29 1mvg s ALA 85 N 0.75 3.11 -0.84 5.97 0.00 -0.07 -4.87 121.76 125.82 1mvg s ALA 85 Ca -0.09 -3.19 -0.02 0.00 0.00 0.00 0.00 51.96 48.66 1mvg s ALA 85 Cb -0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1mvg s ALA 85 CO -0.00 -2.04 0.76 -1.71 0.00 0.00 0.00 175.76 172.77 1mvg n ASN 86 N 3.08 -7.32 -1.98 0.00 5.15 -1.26 -3.40 115.26 109.53 1mvg n ASN 86 Ca 0.07 -0.30 -0.16 0.00 -0.60 0.00 0.00 54.58 53.59 1mvg n ASN 86 Cb 0.33 -5.10 0.01 0.00 -0.53 0.00 0.00 39.78 34.49 1mvg n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mvg n GLY 87 N -1.62 -0.25 2.84 8.20 0.00 -1.26 -5.00 105.19 108.10 1mvg n GLY 87 Ca -0.03 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1mvg n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mvg s LYS 88 N -5.01 0.22 -0.04 1.61 1.02 -1.22 -3.55 119.74 112.77 1mvg s LYS 88 Ca 0.08 0.40 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 1mvg s LYS 88 Cb -0.04 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.45 1mvg s LYS 88 CO 0.10 -0.57 1.22 -1.17 -0.92 0.00 0.00 175.35 174.01 1mvg s LEU 89 N 2.40 4.29 -0.13 3.17 2.96 0.56 -0.89 118.68 131.04 1mvg s LEU 89 Ca 0.07 1.86 -0.03 0.00 -0.22 0.00 0.00 54.13 55.81 1mvg s LEU 89 Cb -0.15 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.03 1mvg s LEU 89 CO -0.12 -0.58 0.05 -0.69 -1.32 0.00 0.00 176.35 173.68 1mvg s VAL 90 N 2.13 0.18 0.20 1.68 1.01 -0.58 -1.28 120.40 123.73 1mvg s VAL 90 Ca 0.57 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1mvg s VAL 90 Cb -0.26 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1mvg s VAL 90 CO 0.23 -0.04 -0.06 0.42 0.00 0.00 0.00 175.10 175.65 1mvg s THR 91 N 2.03 1.24 -0.16 3.92 -4.23 -0.86 -4.00 115.64 113.58 1mvg s THR 91 Ca 0.03 -2.08 -0.22 0.00 -1.18 0.00 0.00 61.69 58.24 1mvg s THR 91 Cb -0.15 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.61 1mvg s THR 91 CO -0.07 -0.51 0.57 -0.75 -0.54 0.00 0.00 174.62 173.32 1mvg s LYS 92 N -3.78 0.75 0.20 3.99 2.20 -1.26 -3.83 119.74 118.01 1mvg s LYS 92 Ca 0.24 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1mvg s LYS 92 Cb 0.03 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1mvg s LYS 92 CO 0.06 -0.14 0.09 0.45 -0.36 0.00 0.00 175.35 175.45 1mvg s SER 93 N -0.15 0.62 -0.21 1.43 0.15 0.35 -4.11 113.70 111.79 1mvg s SER 93 Ca -0.04 -1.33 -0.05 0.00 0.70 0.00 0.00 55.95 55.23 1mvg s SER 93 Cb -0.03 0.27 -0.12 0.00 -1.71 0.00 0.00 66.02 64.42 1mvg s SER 93 CO 0.03 -0.76 3.25 -0.62 1.20 0.00 0.00 173.24 176.34 1mvg n GLU 94 N -0.30 2.19 0.00 5.44 1.02 -1.26 -2.96 120.64 124.77 1mvg n GLU 94 Ca -0.01 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 1mvg n GLU 94 Cb 0.65 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1mvg n GLU 94 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mvg n LYS 95 N 1.78 0.00 -3.79 3.49 0.00 -1.26 -5.07 118.16 113.31 1mvg n LYS 95 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.67 1mvg n LYS 95 Cb 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.72 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 0.00 0.05 -0.10 5.64 5.36 -1.15 -0.33 117.98 127.45 1mvg s PHE 96 Ca 0.00 -0.42 -0.12 0.00 -0.96 0.00 0.00 56.93 55.43 1mvg s PHE 96 Cb 0.00 0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.80 1mvg s PHE 96 CO 0.00 -0.67 0.32 0.45 -1.46 0.00 0.00 175.22 173.86 1mvg s SER 97 N -2.86 -0.30 -0.31 6.13 0.15 -0.22 -0.49 113.70 115.78 1mvg s SER 97 Ca 0.07 0.54 0.03 0.00 0.70 0.00 0.00 55.95 57.28 1mvg s SER 97 Cb 0.03 0.59 0.09 0.00 -1.71 0.00 0.00 66.02 65.02 1mvg s SER 97 CO -0.08 -0.18 0.03 -2.28 1.20 0.00 0.00 173.24 171.93 1mvg s HIS 98 N -0.12 3.16 -0.43 3.44 2.46 -1.25 -1.51 115.29 121.04 1mvg s HIS 98 Ca -0.03 -2.54 0.04 0.00 0.47 0.00 0.00 55.06 53.00 1mvg s HIS 98 Cb -0.03 -2.42 0.12 0.00 -0.13 0.00 0.00 32.58 30.12 1mvg s HIS 98 CO 0.01 -0.91 0.17 -2.00 -2.47 0.00 0.00 174.74 169.54 1mvg s GLU 99 N 1.12 1.64 -0.23 2.88 2.12 -0.30 -2.03 118.70 123.90 1mvg s GLU 99 Ca 0.06 -2.19 0.02 0.00 0.36 0.00 0.00 54.97 53.22 1mvg s GLU 99 Cb -0.19 -3.10 0.05 0.00 0.26 0.00 0.00 34.13 31.16 1mvg s GLU 99 CO -0.11 -1.04 -0.11 -0.65 -0.54 0.00 0.00 175.26 172.81 1mvg s GLN 100 N 0.33 2.21 0.09 4.30 1.11 -0.41 -1.13 119.66 126.17 1mvg s GLN 100 Ca 0.14 -1.12 0.09 0.00 0.01 0.00 0.00 55.36 54.49 1mvg s GLN 100 Cb -0.23 -2.71 -0.03 0.00 -1.01 0.00 0.00 33.01 29.03 1mvg s GLN 100 CO -0.05 -0.50 -0.25 -1.83 0.01 0.00 0.00 175.29 172.68 1mvg s GLU 101 N 1.23 1.44 0.12 2.91 4.04 -0.63 -0.32 118.70 127.49 1mvg s GLU 101 Ca -0.05 -1.19 0.10 0.00 0.04 0.00 0.00 54.97 53.87 1mvg s GLU 101 Cb -0.18 -1.76 -0.04 0.00 0.02 0.00 0.00 34.13 32.17 1mvg s GLU 101 CO -0.07 0.43 -0.25 0.08 -1.84 0.00 0.00 175.26 173.61 1mvg s VAL 102 N -0.98 2.10 0.00 1.83 1.01 -1.23 -1.28 120.40 121.85 1mvg s VAL 102 Ca 0.11 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1mvg s VAL 102 Cb -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1mvg s VAL 102 CO 0.04 0.05 0.00 1.17 0.00 0.00 0.00 175.10 176.36 1mvg n LYS 103 N 0.97 2.98 0.41 2.72 3.00 0.29 -4.94 118.16 123.58 1mvg n LYS 103 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 57.96 1mvg n LYS 103 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.48 1mvg n LYS 103 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1mvg h GLY 104 N 0.00 -1.11 -1.23 3.14 0.00 -2.03 -3.39 103.07 98.46 1mvg h GLY 104 Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1mvg h GLY 104 CO 0.00 -0.40 -0.53 1.16 0.00 0.00 0.00 176.54 176.77 1mvg n ASN 105 N -5.49 0.60 -3.96 0.19 0.23 -1.26 -4.99 115.26 100.58 1mvg n ASN 105 Ca -0.14 -2.24 -0.09 0.00 -0.53 0.00 0.00 54.58 51.58 1mvg n ASN 105 Cb 0.42 -0.27 -0.10 0.00 -2.08 0.00 0.00 39.78 37.76 1mvg n ASN 105 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1mvg s GLU 106 N -0.56 0.55 -0.09 -3.83 2.12 -1.26 -1.29 118.70 114.34 1mvg s GLU 106 Ca 0.13 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.59 1mvg s GLU 106 Cb 0.13 0.21 0.04 0.00 0.26 0.00 0.00 34.13 34.76 1mvg s GLU 106 CO -0.03 -0.13 0.22 1.41 -0.54 0.00 0.00 175.26 176.20 1mvg s MET 107 N -2.66 0.21 -0.25 4.30 -2.45 -0.19 -0.55 119.30 117.71 1mvg s MET 107 Ca -0.05 0.43 -0.09 0.00 -1.25 0.00 0.00 55.69 54.73 1mvg s MET 107 Cb -0.01 -0.04 -0.04 0.00 1.25 0.00 0.00 34.83 35.99 1mvg s MET 107 CO -0.05 -0.11 0.12 0.08 1.05 0.00 0.00 175.02 176.11 1mvg s VAL 108 N 0.82 4.87 -0.62 10.11 1.01 -0.41 -1.06 120.40 135.12 1mvg s VAL 108 Ca -0.06 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1mvg s VAL 108 Cb -0.07 -3.28 0.16 0.00 0.00 0.00 0.00 36.38 33.19 1mvg s VAL 108 CO -0.05 0.33 0.45 -1.61 0.00 0.00 0.00 175.10 174.23 1mvg s GLU 109 N 1.37 2.64 -0.15 2.72 2.02 0.30 -1.60 118.70 125.99 1mvg s GLU 109 Ca 0.06 -2.41 -0.06 0.00 0.02 0.00 0.00 54.97 52.58 1mvg s GLU 109 Cb -0.15 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1mvg s GLU 109 CO 0.06 -1.18 0.07 0.99 0.02 0.00 0.00 175.26 175.21 1mvg s THR 110 N 0.17 4.86 0.14 3.63 2.01 -0.28 -1.30 115.64 124.86 1mvg s THR 110 Ca 0.15 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.22 1mvg s THR 110 Cb -0.20 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1mvg s THR 110 CO -0.04 0.52 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.59 1mvg s ILE 111 N -0.14 1.72 0.02 1.82 -1.09 -0.67 -1.15 121.20 121.71 1mvg s ILE 111 Ca 0.07 -1.76 0.03 0.00 -2.23 0.00 0.00 60.65 56.77 1mvg s ILE 111 Cb -0.12 -1.70 -0.01 0.00 -1.58 0.00 0.00 42.46 39.05 1mvg s ILE 111 CO 0.01 -0.24 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.49 1mvg s THR 112 N -1.74 0.76 -0.41 2.92 2.01 -0.57 -0.87 115.64 117.75 1mvg s THR 112 Ca 0.11 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1mvg s THR 112 Cb -0.07 -0.69 0.13 0.00 0.01 0.00 0.00 72.50 71.87 1mvg s THR 112 CO 0.05 0.02 0.20 0.12 -0.69 0.00 0.00 174.62 174.33 1mvg s PHE 113 N -0.61 2.02 0.00 4.92 5.36 -0.11 -1.06 117.98 128.50 1mvg s PHE 113 Ca 0.00 -2.32 0.00 0.00 -0.96 0.00 0.00 56.93 53.66 1mvg s PHE 113 Cb -0.06 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 1mvg s PHE 113 CO 0.00 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.36 1mvg n GLY 114 N 3.85 0.00 0.00 13.12 0.00 0.55 -1.05 105.19 121.66 1mvg n GLY 114 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 4.12 3.36 -0.02 0.00 -1.26 -5.06 105.19 106.34 1mvg n GLY 115 Ca 0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 2.10 0.20 1.61 1.01 -0.21 -5.16 120.40 119.94 1mvg s VAL 116 Ca 0.00 -1.74 0.10 0.00 0.00 0.00 0.00 61.98 60.34 1mvg s VAL 116 Cb 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1mvg s VAL 116 CO 0.00 0.00 -0.20 -0.89 0.00 0.00 0.00 175.10 174.01 1mvg s THR 117 N -1.21 2.13 -0.04 3.92 2.01 -1.26 -0.94 115.64 120.24 1mvg s THR 117 Ca 0.13 -2.06 0.05 0.00 0.31 0.00 0.00 61.69 60.11 1mvg s THR 117 Cb -0.10 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 1mvg s THR 117 CO 0.06 -0.27 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.78 1mvg s LEU 118 N -2.85 1.95 -0.17 4.42 1.02 -0.05 -4.54 118.68 118.46 1mvg s LEU 118 Ca 0.20 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 53.99 1mvg s LEU 118 Cb -0.06 -1.00 0.04 0.00 0.02 0.00 0.00 46.19 45.19 1mvg s LEU 118 CO 0.09 0.17 -0.06 -0.51 0.02 0.00 0.00 176.35 176.07 1mvg s ILE 119 N -0.05 1.14 0.16 -0.59 -1.16 -0.61 -1.67 121.20 118.43 1mvg s ILE 119 Ca -0.02 -0.64 0.07 0.00 -0.51 0.00 0.00 60.65 59.55 1mvg s ILE 119 Cb -0.11 -1.30 -0.04 0.00 0.61 0.00 0.00 42.46 41.61 1mvg s ILE 119 CO 0.02 0.14 -0.16 -0.13 -2.81 0.00 0.00 174.94 172.00 1mvg s ARG 120 N 1.62 1.20 0.00 3.50 0.52 -0.42 -0.89 118.95 124.49 1mvg s ARG 120 Ca 0.01 -1.40 -0.02 0.00 -0.52 0.00 0.00 55.73 53.79 1mvg s ARG 120 Cb -0.15 -1.13 -0.01 0.00 0.52 0.00 0.00 34.95 34.18 1mvg s ARG 120 CO -0.08 0.21 0.04 1.03 0.02 0.00 0.00 175.30 176.52 1mvg s ARG 121 N -2.99 0.28 0.12 3.54 0.52 -0.49 -0.54 118.95 119.39 1mvg s ARG 121 Ca 0.15 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1mvg s ARG 121 Cb -0.04 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 1mvg s ARG 121 CO 0.05 -0.05 -0.06 -1.12 0.02 0.00 0.00 175.30 174.14 1mvg s SER 122 N -1.00 1.31 0.05 0.23 0.01 -0.22 -1.09 113.70 112.99 1mvg s SER 122 Ca -0.11 -1.04 0.09 0.00 1.31 0.00 0.00 55.95 56.20 1mvg s SER 122 Cb -0.07 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 1mvg s SER 122 CO -0.00 -0.45 -0.24 -0.54 0.41 0.00 0.00 173.24 172.42 1mvg s LYS 123 N -3.83 1.60 0.28 12.44 1.02 -0.34 -1.02 119.74 129.90 1mvg s LYS 123 Ca 0.15 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.80 1mvg s LYS 123 Cb 0.05 -1.77 -0.09 0.00 -0.52 0.00 0.00 37.83 35.49 1mvg s LYS 123 CO -0.02 0.45 1.07 0.50 -0.92 0.00 0.00 175.35 176.44 1mvg s ARG 124 N -1.27 4.64 0.00 1.68 3.52 -0.41 -1.31 118.95 125.80 1mvg s ARG 124 Ca 0.10 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.44 1mvg s ARG 124 Cb -0.10 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1mvg s ARG 124 CO 0.02 0.23 0.39 0.28 -0.81 0.00 0.00 175.30 175.41