#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mju s GLN 3 N 0.00 0.26 -0.15 5.55 -0.21 -0.74 -5.01 119.66 119.36 1mju s GLN 3 Ca 0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 55.36 55.18 1mju s GLN 3 Cb 0.00 0.11 0.03 0.00 1.00 0.00 0.00 33.01 34.15 1mju s GLN 3 CO 0.00 -0.05 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.53 1mju s LEU 4 N -0.72 1.55 -0.27 2.90 1.43 -1.26 -1.56 118.68 120.76 1mju s LEU 4 Ca -0.08 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 1mju s LEU 4 Cb -0.05 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1mju s LEU 4 CO 0.00 -0.14 0.09 -1.10 0.23 0.00 0.00 176.35 175.43 1mju s GLN 5 N 1.61 3.51 0.04 1.70 -1.52 -0.06 -4.25 119.66 120.69 1mju s GLN 5 Ca 0.03 -0.58 0.08 0.00 -1.95 0.00 0.00 55.36 52.93 1mju s GLN 5 Cb -0.14 -3.39 -0.03 0.00 -0.22 0.00 0.00 33.01 29.23 1mju s GLN 5 CO -0.08 -0.28 -0.23 -0.65 -0.25 0.00 0.00 175.29 173.80 1mju s GLN 6 N 1.60 1.91 0.64 2.91 -0.21 -1.26 -1.25 119.66 124.00 1mju s GLN 6 Ca 0.05 -1.06 -0.17 0.00 0.02 0.00 0.00 55.36 54.20 1mju s GLN 6 Cb -0.16 -2.07 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 1mju s GLN 6 CO 0.04 0.52 1.21 -2.14 -2.12 0.00 0.00 175.29 172.81 1mju s PRO 7 N -1.31 2.69 0.29 2.91 0.02 -1.26 -4.85 135.00 133.48 1mju s PRO 7 Ca 0.13 1.81 0.07 0.00 0.02 0.00 0.00 61.00 63.04 1mju s PRO 7 Cb -0.10 -1.89 0.42 0.00 0.02 0.00 0.00 34.50 32.95 1mju s PRO 7 CO 0.03 -1.42 1.67 0.78 -0.33 0.00 0.00 177.00 177.73 1mju h GLY 8 N 0.48 0.18 -4.52 0.52 0.00 -1.95 -3.34 103.07 94.44 1mju h GLY 8 Ca -0.50 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 1mju h GLY 8 CO 0.53 0.17 -0.21 0.00 0.00 0.00 0.00 176.54 177.03 1mju s ALA 9 N -3.97 -0.93 -0.05 3.60 0.00 -1.26 -1.49 121.76 117.67 1mju s ALA 9 Ca -0.04 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1mju s ALA 9 Cb 0.13 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1mju s ALA 9 CO 0.77 -0.27 0.03 -1.21 0.00 0.00 0.00 175.76 175.08 1mju s GLU 10 N -1.16 0.18 -0.20 0.00 0.41 -0.64 -4.82 118.70 112.46 1mju s GLU 10 Ca -0.12 0.24 -0.17 0.00 -0.41 0.00 0.00 54.97 54.50 1mju s GLU 10 Cb -0.04 -0.61 -0.04 0.00 -1.78 0.00 0.00 34.13 31.66 1mju s GLU 10 CO 0.05 -0.28 0.47 -1.17 -0.49 0.00 0.00 175.26 173.84 1mju s LEU 11 N 1.84 4.15 -0.05 1.80 2.96 -1.26 -1.53 118.68 126.59 1mju s LEU 11 Ca 0.01 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1mju s LEU 11 Cb -0.12 -2.63 0.01 0.00 0.50 0.00 0.00 46.19 43.95 1mju s LEU 11 CO -0.03 -0.13 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.07 1mju s VAL 12 N 1.47 0.95 0.39 1.68 1.01 -0.23 -4.98 120.40 120.68 1mju s VAL 12 Ca 0.22 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 1mju s VAL 12 Cb -0.15 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 1mju s VAL 12 CO 0.09 0.30 1.13 -0.54 0.00 0.00 0.00 175.10 176.08 1mju s LYS 13 N 0.52 4.14 0.16 2.72 1.02 -1.26 -1.17 119.74 125.88 1mju s LYS 13 Ca -0.10 1.74 -0.34 0.00 0.02 0.00 0.00 55.97 57.29 1mju s LYS 13 Cb -0.13 -2.68 -0.15 0.00 -0.52 0.00 0.00 37.83 34.35 1mju s LYS 13 CO 0.02 -0.22 1.45 -2.30 -0.92 0.00 0.00 175.35 173.38 1mju n PRO 14 N 0.14 1.82 0.00 -1.68 -0.02 -1.26 -1.31 135.00 132.69 1mju n PRO 14 Ca 0.04 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1mju n PRO 14 Cb 0.47 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1mju n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mju n GLY 15 N 2.83 2.52 3.91 -1.23 0.00 -0.11 -4.93 105.19 108.17 1mju n GLY 15 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1mju n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mju s ALA 16 N -2.19 2.65 0.29 4.61 0.00 -0.43 -4.16 121.76 122.54 1mju s ALA 16 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1mju s ALA 16 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1mju s ALA 16 CO 0.00 -1.74 0.22 -1.12 0.00 0.00 0.00 175.76 173.12 1mju s SER 17 N -4.61 5.36 0.00 0.00 0.01 -1.26 -1.49 113.70 111.71 1mju s SER 17 Ca 0.63 -0.38 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 1mju s SER 17 Cb -0.10 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.94 1mju s SER 17 CO 0.49 -0.17 0.05 0.54 0.41 0.00 0.00 173.24 174.56 1mju s VAL 18 N -2.22 0.08 -0.23 3.43 0.11 -0.75 -4.97 120.40 115.85 1mju s VAL 18 Ca 0.36 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1mju s VAL 18 Cb -0.07 -0.29 0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1mju s VAL 18 CO 0.25 -0.35 -0.12 -0.75 -3.33 0.00 0.00 175.10 170.81 1mju s LYS 19 N -1.10 2.80 -0.04 1.54 2.20 -1.26 -1.20 119.74 122.68 1mju s LYS 19 Ca -0.12 -0.98 -0.16 0.00 -0.36 0.00 0.00 55.97 54.35 1mju s LYS 19 Cb -0.07 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 1mju s LYS 19 CO 0.00 -0.36 0.45 -0.51 -0.36 0.00 0.00 175.35 174.57 1mju s LEU 20 N 1.28 4.40 0.14 5.43 1.43 -0.03 -4.93 118.68 126.40 1mju s LEU 20 Ca 0.00 0.92 0.06 0.00 -1.03 0.00 0.00 54.13 54.08 1mju s LEU 20 Cb -0.16 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1mju s LEU 20 CO -0.07 0.19 0.03 -0.94 0.23 0.00 0.00 176.35 175.79 1mju s SER 21 N -0.37 5.04 -0.30 2.29 1.04 -1.26 -1.39 113.70 118.75 1mju s SER 21 Ca 0.25 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.42 1mju s SER 21 Cb -0.16 -1.18 0.13 0.00 0.10 0.00 0.00 66.02 64.91 1mju s SER 21 CO 0.12 0.12 0.29 0.00 0.98 0.00 0.00 173.24 174.74 1mju s LYS 23 N 2.21 4.11 0.01 0.00 2.20 -0.38 -0.75 119.74 127.13 1mju s LYS 23 Ca 0.10 0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 56.09 1mju s LYS 23 Cb -0.14 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 1mju s LYS 23 CO -0.30 -0.34 0.24 0.00 -0.36 0.00 0.00 175.35 174.60 1mju s ALA 24 N 2.27 3.88 0.10 3.13 0.00 -0.30 -0.89 121.76 129.95 1mju s ALA 24 Ca 0.24 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 1mju s ALA 24 Cb -0.16 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1mju s ALA 24 CO 0.09 0.68 0.35 -1.54 0.00 0.00 0.00 175.76 175.34 1mju s SER 25 N -1.81 -0.15 0.00 0.00 1.04 -0.60 -4.88 113.70 107.30 1mju s SER 25 Ca 0.28 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1mju s SER 25 Cb -0.13 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1mju s SER 25 CO 0.17 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1mju n GLY 26 N -0.01 0.74 3.79 7.32 0.00 -1.26 -1.79 105.19 113.97 1mju n GLY 26 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 1mju n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mju s TYR 27 N -2.42 -0.08 -0.70 1.61 -0.85 -1.26 -4.29 117.35 109.36 1mju s TYR 27 Ca 0.00 -0.27 -0.26 0.00 -0.52 0.00 0.00 57.07 56.02 1mju s TYR 27 Cb 0.00 0.66 0.04 0.00 0.38 0.00 0.00 41.96 43.04 1mju s TYR 27 CO 0.00 -0.89 1.19 0.99 -1.52 0.00 0.00 175.55 175.31 1mju s THR 28 N -3.03 3.91 0.30 -3.49 2.01 -1.26 -4.92 115.64 109.16 1mju s THR 28 Ca 0.14 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1mju s THR 28 Cb -0.02 -4.84 0.29 0.00 0.01 0.00 0.00 72.50 67.95 1mju s THR 28 CO 0.03 -1.70 1.78 0.15 -0.69 0.00 0.00 174.62 174.20 1mju h PHE 29 N 9.86 1.05 0.00 4.92 3.57 -1.95 -2.20 116.94 132.18 1mju h PHE 29 Ca -0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1mju h PHE 29 Cb 1.06 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1mju h PHE 29 CO 1.08 0.25 0.00 1.79 -2.23 0.00 0.00 178.31 179.20 1mju h THR 30 N 0.77 0.00 -0.11 4.41 1.35 -1.91 -3.31 112.91 114.12 1mju h THR 30 Ca 0.56 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 1mju h THR 30 Cb 0.83 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1mju h THR 30 CO -0.37 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.49 1mju n ASN 31 N -2.32 2.91 -3.89 5.36 4.13 -0.83 -1.52 115.26 119.10 1mju n ASN 31 Ca 0.01 -1.91 -0.11 0.00 1.68 0.00 0.00 54.58 54.25 1mju n ASN 31 Cb 0.17 -0.06 -0.12 0.00 -1.54 0.00 0.00 39.78 38.23 1mju n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1mju s TYR 32 N -1.68 0.04 0.40 3.10 1.51 -1.25 -5.06 117.35 114.41 1mju s TYR 32 Ca 0.27 -0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 55.99 1mju s TYR 32 Cb 0.19 -0.05 -0.10 0.00 -0.11 0.00 0.00 41.96 41.89 1mju s TYR 32 CO 0.27 -0.10 1.40 -1.58 -1.11 0.00 0.00 175.55 174.43 1mju s TRP 33 N -0.53 2.68 -0.16 2.71 0.52 -1.26 -4.32 118.94 118.59 1mju s TRP 33 Ca -0.06 1.29 -0.04 0.00 0.02 0.00 0.00 56.10 57.32 1mju s TRP 33 Cb -0.04 -3.85 -0.03 0.00 -1.15 0.00 0.00 33.47 28.40 1mju s TRP 33 CO -0.00 -2.58 -0.04 0.42 0.02 0.00 0.00 176.95 174.78 1mju s ILE 34 N -1.18 3.87 0.15 2.03 -1.09 -0.35 -2.47 121.20 122.15 1mju s ILE 34 Ca 0.55 -0.36 0.09 0.00 -2.23 0.00 0.00 60.65 58.70 1mju s ILE 34 Cb -0.43 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1mju s ILE 34 CO 0.56 0.49 -0.12 0.20 -1.23 0.00 0.00 174.94 174.84 1mju s ASN 35 N 0.40 4.16 0.00 3.58 0.01 0.66 -1.09 114.94 122.66 1mju s ASN 35 Ca -0.04 -0.54 0.07 0.00 -0.71 0.00 0.00 52.86 51.64 1mju s ASN 35 Cb -0.14 -0.68 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 1mju s ASN 35 CO 0.03 0.14 -0.22 0.26 -1.51 0.00 0.00 177.10 175.80 1mju s TRP 36 N -1.44 2.00 -0.01 2.20 0.52 -0.64 -0.99 118.94 120.58 1mju s TRP 36 Ca 0.22 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.97 1mju s TRP 36 Cb -0.10 -1.26 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 1mju s TRP 36 CO 0.13 0.01 -0.05 0.08 0.02 0.00 0.00 176.95 177.14 1mju s VAL 37 N -0.60 0.44 -0.07 4.03 1.01 -0.41 -0.94 120.40 123.86 1mju s VAL 37 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1mju s VAL 37 Cb -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1mju s VAL 37 CO -0.00 0.15 0.06 -0.75 0.00 0.00 0.00 175.10 174.55 1mju s LYS 38 N 0.18 3.12 -0.23 2.72 2.20 -0.08 -0.70 119.74 126.94 1mju s LYS 38 Ca -0.02 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1mju s LYS 38 Cb -0.06 -2.91 0.09 0.00 -1.51 0.00 0.00 37.83 33.44 1mju s LYS 38 CO -0.00 0.71 0.16 -1.14 -0.36 0.00 0.00 175.35 174.71 1mju s GLN 39 N -1.15 0.16 0.56 4.03 0.74 -0.03 -1.33 119.66 122.64 1mju s GLN 39 Ca 0.16 -0.16 -0.19 0.00 0.05 0.00 0.00 55.36 55.22 1mju s GLN 39 Cb -0.12 -1.35 -0.05 0.00 1.10 0.00 0.00 33.01 32.60 1mju s GLN 39 CO 0.06 -0.82 1.13 1.03 -0.55 0.00 0.00 175.29 176.14 1mju s ARG 40 N 2.20 3.25 -0.04 1.67 0.52 -1.26 -1.45 118.95 123.84 1mju s ARG 40 Ca 0.06 1.59 -0.35 0.00 -0.52 0.00 0.00 55.73 56.50 1mju s ARG 40 Cb -0.16 -1.99 -0.13 0.00 0.52 0.00 0.00 34.95 33.19 1mju s ARG 40 CO -0.21 -0.92 1.73 -2.30 0.02 0.00 0.00 175.30 173.61 1mju n PRO 41 N -1.49 1.90 -0.94 3.54 -0.02 -1.26 -1.20 135.00 135.53 1mju n PRO 41 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1mju n PRO 41 Cb 0.51 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1mju n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mju n GLY 42 N 3.93 0.46 1.09 -1.23 0.00 -1.26 -5.00 105.19 103.18 1mju n GLY 42 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1mju n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mju n GLN 43 N -1.82 1.39 -1.83 1.61 1.13 -0.34 -5.15 117.38 112.37 1mju n GLN 43 Ca 0.00 -1.02 -0.17 0.00 -1.94 0.00 0.00 57.00 53.86 1mju n GLN 43 Cb 0.10 0.17 0.10 0.00 0.11 0.00 0.00 30.24 30.72 1mju n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mju n GLY 44 N 3.13 0.14 3.82 1.08 0.00 -1.26 -4.72 105.19 107.38 1mju n GLY 44 Ca -0.03 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 1mju n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mju s LEU 45 N 0.00 4.50 -0.04 0.99 1.43 -1.26 -4.23 118.68 120.07 1mju s LEU 45 Ca 0.49 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1mju s LEU 45 Cb -0.02 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1mju s LEU 45 CO 0.33 0.28 -0.06 -0.70 0.23 0.00 0.00 176.35 176.43 1mju s GLU 46 N -1.15 0.91 -0.07 1.70 2.12 -0.44 -4.99 118.70 116.78 1mju s GLU 46 Ca 0.28 -0.17 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 1mju s GLU 46 Cb -0.18 -0.87 -0.03 0.00 0.26 0.00 0.00 34.13 33.31 1mju s GLU 46 CO 0.17 -0.03 0.80 -0.46 -0.54 0.00 0.00 175.26 175.20 1mju s TRP 47 N 0.71 3.56 -0.20 5.30 -0.00 -1.26 -0.90 118.94 126.15 1mju s TRP 47 Ca -0.10 1.35 -0.16 0.00 -0.00 0.00 0.00 56.10 57.19 1mju s TRP 47 Cb -0.13 -2.93 -0.19 0.00 -0.00 0.00 0.00 33.47 30.22 1mju s TRP 47 CO 0.01 -0.01 0.14 -0.89 -0.00 0.00 0.00 176.95 176.19 1mju n ILE 48 N 4.03 1.58 0.00 5.86 5.41 -0.11 -4.69 119.36 131.44 1mju n ILE 48 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1mju n ILE 48 Cb 0.51 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 1mju n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mju n GLY 49 N 1.55 -0.37 3.15 7.39 0.00 -1.24 -1.03 105.19 114.65 1mju n GLY 49 Ca -0.36 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 1mju n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mju s ASN 50 N 0.00 0.32 -0.09 1.61 2.20 -0.20 -1.61 114.94 117.17 1mju s ASN 50 Ca 0.00 -1.12 -0.09 0.00 -0.94 0.00 0.00 52.86 50.71 1mju s ASN 50 Cb 0.00 0.29 0.02 0.00 -2.00 0.00 0.00 41.25 39.56 1mju s ASN 50 CO 0.00 -0.71 0.25 -0.51 -2.94 0.00 0.00 177.10 173.18 1mju s ILE 51 N -4.01 0.01 -0.44 0.54 2.07 -0.25 -1.85 121.20 117.27 1mju s ILE 51 Ca 0.19 -0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 59.23 1mju s ILE 51 Cb 0.07 -0.37 0.05 0.00 0.13 0.00 0.00 42.46 42.35 1mju s ILE 51 CO -0.01 -0.03 0.35 -0.47 -1.91 0.00 0.00 174.94 172.87 1mju s TYR 52 N 0.01 3.25 0.51 3.50 5.04 -0.44 -1.21 117.35 127.99 1mju s TYR 52 Ca -0.01 -0.82 0.16 0.00 -2.44 0.00 0.00 57.07 53.96 1mju s TYR 52 Cb -0.02 -2.90 1.22 0.00 0.35 0.00 0.00 41.96 40.60 1mju s TYR 52 CO 0.01 -0.71 2.12 -1.35 -1.34 0.00 0.00 175.55 174.27 1mju h PRO 52 N 8.68 0.00 0.00 4.97 0.11 -1.75 0.12 132.00 144.13 1mju h PRO 52 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1mju h PRO 52 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1mju h PRO 52 CO 0.81 0.04 -0.15 0.78 -0.21 0.00 0.00 178.00 179.26 1mju h GLY 53 N 0.11 0.00 0.00 -0.55 0.00 -1.55 -3.32 103.07 97.76 1mju h GLY 53 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mju h GLY 53 CO 0.00 0.00 -0.38 -1.14 0.00 0.00 0.00 176.54 175.02 1mju n SER 54 N -3.89 1.91 -1.02 0.19 3.41 -0.95 -5.02 113.62 108.25 1mju n SER 54 Ca -0.02 -0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.22 1mju n SER 54 Cb 0.25 0.85 -0.06 0.00 -0.26 0.00 0.00 64.21 64.99 1mju n SER 54 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mju n SER 55 N -1.04 -5.04 -4.71 4.04 7.64 0.37 -4.99 113.62 109.89 1mju n SER 55 Ca 0.00 0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.79 1mju n SER 55 Cb 0.00 -3.71 -0.03 0.00 -1.01 0.00 0.00 64.21 59.46 1mju n SER 55 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mju s TYR 56 N -2.35 2.62 0.19 1.43 5.04 -1.24 -4.80 117.35 118.24 1mju s TYR 56 Ca 0.00 0.25 0.09 0.00 -2.44 0.00 0.00 57.07 54.97 1mju s TYR 56 Cb 0.00 -4.11 -0.04 0.00 0.35 0.00 0.00 41.96 38.16 1mju s TYR 56 CO 0.00 -4.34 -0.18 0.95 -1.34 0.00 0.00 175.55 170.65 1mju s THR 57 N 1.86 1.88 -0.02 4.34 -4.23 -1.26 -1.33 115.64 116.87 1mju s THR 57 Ca 0.76 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1mju s THR 57 Cb -0.47 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 71.42 1mju s THR 57 CO 0.33 -0.39 -0.11 -1.00 -0.54 0.00 0.00 174.62 172.92 1mju s HIS 58 N -2.32 1.05 -0.02 3.99 3.76 -0.77 -5.00 115.29 115.99 1mju s HIS 58 Ca 0.19 -0.25 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 1mju s HIS 58 Cb -0.04 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 1mju s HIS 58 CO 0.08 -0.09 -0.26 0.71 -0.85 0.00 0.00 174.74 174.33 1mju s TYR 59 N 0.06 2.32 0.13 1.40 1.51 -1.26 -1.03 117.35 120.47 1mju s TYR 59 Ca -0.01 -0.44 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 1mju s TYR 59 Cb -0.08 -1.48 -0.09 0.00 -0.11 0.00 0.00 41.96 40.19 1mju s TYR 59 CO 0.00 -0.03 1.62 1.21 -1.11 0.00 0.00 175.55 177.24 1mju s ASN 60 N -0.65 6.58 0.39 2.29 3.84 -0.20 -4.91 114.94 122.28 1mju s ASN 60 Ca 0.10 2.58 0.19 0.00 0.21 0.00 0.00 52.86 55.94 1mju s ASN 60 Cb -0.10 -2.58 1.15 0.00 -0.55 0.00 0.00 41.25 39.17 1mju s ASN 60 CO -0.01 -0.86 1.72 -0.33 -2.79 0.00 0.00 177.10 174.83 1mju h GLU 61 N 7.46 0.32 0.00 0.43 4.39 -1.96 0.05 114.58 125.28 1mju h GLU 61 Ca -0.43 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1mju h GLU 61 Cb 1.20 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1mju h GLU 61 CO 0.92 0.21 -0.04 0.87 -1.16 0.00 0.00 179.01 179.82 1mju h LYS 62 N 0.33 0.00 -0.18 2.33 1.57 -1.95 -2.88 116.57 115.80 1mju h LYS 62 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 1mju h LYS 62 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.05 1mju h LYS 62 CO -0.39 0.04 0.00 1.19 -0.57 0.00 0.00 179.45 179.72 1mju n PHE 63 N -3.56 0.23 0.08 -1.35 3.72 -0.01 -4.74 117.46 111.82 1mju n PHE 63 Ca -0.02 -0.28 0.13 0.00 -0.05 0.00 0.00 57.45 57.22 1mju n PHE 63 Cb 0.15 -0.02 0.61 0.00 -0.94 0.00 0.00 39.48 39.28 1mju n PHE 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mju h LYS 64 N 1.86 0.12 -0.57 -1.08 1.57 -1.36 -0.91 116.57 116.19 1mju h LYS 64 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1mju h LYS 64 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1mju h LYS 64 CO 0.00 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 179.05 1mju n ASN 65 N -4.46 3.66 -0.02 0.86 3.02 -1.26 -4.54 115.26 112.52 1mju n ASN 65 Ca 0.05 -1.99 -0.03 0.00 -0.03 0.00 0.00 54.58 52.58 1mju n ASN 65 Cb 0.34 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1mju n ASN 65 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1mju n LYS 66 N 1.47 0.11 -4.68 3.52 3.00 -0.45 -5.01 118.16 116.11 1mju n LYS 66 Ca 0.21 0.03 -0.31 0.00 -0.00 0.00 0.00 58.31 58.24 1mju n LYS 66 Cb 0.59 -1.09 -0.13 0.00 0.00 0.00 0.00 35.03 34.41 1mju n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mju s ALA 67 N -2.09 2.64 -0.07 3.14 0.00 -0.57 -4.13 121.76 120.68 1mju s ALA 67 Ca -0.06 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 50.75 1mju s ALA 67 Cb 0.02 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1mju s ALA 67 CO 0.10 0.57 -0.04 0.99 0.00 0.00 0.00 175.76 177.39 1mju s THR 68 N -0.91 0.61 -0.17 0.00 2.01 -0.44 -4.81 115.64 111.94 1mju s THR 68 Ca 0.14 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 1mju s THR 68 Cb -0.11 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1mju s THR 68 CO 0.05 0.28 0.10 -0.76 -0.69 0.00 0.00 174.62 173.60 1mju s LEU 69 N 1.56 4.07 0.24 4.42 1.43 -1.26 -1.03 118.68 128.11 1mju s LEU 69 Ca -0.00 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1mju s LEU 69 Cb -0.13 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1mju s LEU 69 CO -0.04 0.24 0.23 0.42 0.23 0.00 0.00 176.35 177.43 1mju s THR 70 N 0.01 0.00 0.06 5.49 -4.23 -0.84 -5.03 115.64 111.10 1mju s THR 70 Ca 0.08 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1mju s THR 70 Cb -0.12 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1mju s THR 70 CO 0.00 0.00 -0.04 0.68 -0.54 0.00 0.00 174.62 174.72 1mju s VAL 71 N -3.95 0.30 -0.30 2.29 -7.23 -1.26 -1.01 120.40 109.25 1mju s VAL 71 Ca 0.36 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1mju s VAL 71 Cb 0.05 -1.44 0.08 0.00 0.56 0.00 0.00 36.38 35.62 1mju s VAL 71 CO 0.15 -0.93 -0.03 -0.62 -0.31 0.00 0.00 175.10 173.36 1mju s ASP 72 N -2.81 4.53 0.10 4.85 -1.08 0.14 -4.99 116.67 117.42 1mju s ASP 72 Ca 0.06 -1.73 0.25 0.00 -0.52 0.00 0.00 52.55 50.61 1mju s ASP 72 Cb 0.06 -1.53 0.98 0.00 -1.46 0.00 0.00 42.92 40.96 1mju s ASP 72 CO -0.08 -0.29 1.79 0.35 0.52 0.00 0.00 175.17 177.46 1mju n THR 73 N 4.38 0.44 0.01 1.71 -2.24 -1.26 -1.40 114.28 115.92 1mju n THR 73 Ca -0.05 -0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 1mju n THR 73 Cb 0.42 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.86 1mju n THR 73 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1mju h SER 74 N 0.00 0.55 -0.12 3.42 0.87 -1.96 -3.35 113.55 112.97 1mju h SER 74 Ca 0.00 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1mju h SER 74 Cb 0.52 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1mju h SER 74 CO 0.00 1.24 0.00 -1.54 -0.53 0.00 0.00 176.83 176.00 1mju n SER 75 N -4.20 2.80 -3.77 6.23 3.41 -1.19 -4.98 113.62 111.92 1mju n SER 75 Ca -0.10 -1.91 -0.23 0.00 -0.26 0.00 0.00 58.87 56.37 1mju n SER 75 Cb 0.69 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.60 1mju n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mju n SER 76 N 1.15 -1.69 -4.20 4.04 7.64 -0.49 -4.78 113.62 115.28 1mju n SER 76 Ca 0.16 -0.84 -0.30 0.00 1.01 0.00 0.00 58.87 58.91 1mju n SER 76 Cb 0.55 -3.90 -0.17 0.00 -1.01 0.00 0.00 64.21 59.68 1mju n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1mju s THR 77 N -3.64 1.82 -0.01 0.44 2.01 -0.93 -1.15 115.64 114.17 1mju s THR 77 Ca 0.12 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 1mju s THR 77 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1mju s THR 77 CO 0.82 0.51 0.20 0.00 -0.69 0.00 0.00 174.62 175.46 1mju s ALA 78 N 0.11 3.93 0.03 7.40 0.00 0.07 -0.68 121.76 132.63 1mju s ALA 78 Ca -0.09 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1mju s ALA 78 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1mju s ALA 78 CO 0.05 0.72 -0.15 0.71 0.00 0.00 0.00 175.76 177.09 1mju s TYR 79 N -1.31 1.34 -0.14 0.00 2.02 -0.18 -0.80 117.35 118.28 1mju s TYR 79 Ca 0.27 -0.34 -0.00 0.00 -0.37 0.00 0.00 57.07 56.62 1mju s TYR 79 Cb -0.13 -0.80 0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1mju s TYR 79 CO 0.18 0.04 -0.07 1.41 -1.57 0.00 0.00 175.55 175.53 1mju s MET 80 N -1.03 1.55 -0.19 -0.62 -2.45 -0.48 -1.98 119.30 114.10 1mju s MET 80 Ca 0.03 -0.39 -0.14 0.00 -1.25 0.00 0.00 55.69 53.94 1mju s MET 80 Cb -0.08 -1.80 -0.04 0.00 1.25 0.00 0.00 34.83 34.16 1mju s MET 80 CO 0.01 -0.33 0.31 -1.14 1.05 0.00 0.00 175.02 174.92 1mju s GLN 81 N 1.66 4.20 0.52 4.11 0.74 -0.20 -0.85 119.66 129.85 1mju s GLN 81 Ca 0.03 0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.57 1mju s GLN 81 Cb -0.14 -3.48 0.02 0.00 1.10 0.00 0.00 33.01 30.51 1mju s GLN 81 CO -0.08 0.12 0.33 -0.51 -0.55 0.00 0.00 175.29 174.60 1mju s LEU 82 N 0.84 2.72 0.00 3.68 1.43 -0.34 -1.33 118.68 125.69 1mju s LEU 82 Ca 0.16 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1mju s LEU 82 Cb -0.14 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1mju s LEU 82 CO 0.05 -1.00 0.00 -1.20 0.23 0.00 0.00 176.35 174.43 1mju n SER 82 N -1.64 0.00 -4.77 2.29 7.64 -1.20 -1.82 113.62 114.13 1mju n SER 82 Ca -0.04 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.45 1mju n SER 82 Cb 0.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 1mju n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1mju s LEU 82 N -0.35 4.38 0.44 -3.43 1.43 -0.56 -4.67 118.68 115.92 1mju s LEU 82 Ca 0.00 2.40 0.04 0.00 -1.03 0.00 0.00 54.13 55.54 1mju s LEU 82 Cb 0.00 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1mju s LEU 82 CO 0.00 -0.44 0.03 0.42 0.23 0.00 0.00 176.35 176.59 1mju s THR 83 N -1.26 1.32 0.54 5.49 -4.23 -1.26 -0.94 115.64 115.30 1mju s THR 83 Ca 0.50 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1mju s THR 83 Cb -0.33 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.29 1mju s THR 83 CO 0.43 0.00 2.19 0.77 -0.54 0.00 0.00 174.62 177.47 1mju h SER 84 N 1.67 0.00 0.41 3.99 4.64 -1.97 -0.48 113.55 121.81 1mju h SER 84 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1mju h SER 84 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1mju h SER 84 CO 0.73 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 177.19 1mju n ASP 85 N -3.97 0.64 -0.01 4.97 8.00 -1.26 -2.22 116.55 122.69 1mju n ASP 85 Ca -0.03 0.71 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1mju n ASP 85 Cb 0.12 -0.83 0.21 0.00 -0.02 0.00 0.00 41.12 40.61 1mju n ASP 85 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mju n ASP 86 N -2.26 0.58 -4.67 -2.24 8.00 -0.19 -4.86 116.55 110.92 1mju n ASP 86 Ca 0.00 -0.37 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 1mju n ASP 86 Cb 0.14 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1mju n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1mju s SER 87 N -2.98 6.64 -0.14 -2.24 0.01 -0.94 -4.87 113.70 109.17 1mju s SER 87 Ca 0.11 2.33 -0.34 0.00 1.31 0.00 0.00 55.95 59.36 1mju s SER 87 Cb 0.17 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 64.01 1mju s SER 87 CO 0.71 -0.92 1.40 0.00 0.41 0.00 0.00 173.24 174.84 1mju s ALA 88 N 3.72 -2.38 0.01 1.44 0.00 -0.91 -4.66 121.76 118.98 1mju s ALA 88 Ca 0.75 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.69 1mju s ALA 88 Cb -0.36 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1mju s ALA 88 CO 0.31 -0.90 0.69 0.08 0.00 0.00 0.00 175.76 175.94 1mju s VAL 89 N -2.09 4.85 -0.20 0.00 1.01 -0.53 -1.17 120.40 122.27 1mju s VAL 89 Ca 0.14 1.46 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 1mju s VAL 89 Cb 0.05 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1mju s VAL 89 CO -0.05 0.36 -0.12 -0.31 0.00 0.00 0.00 175.10 174.99 1mju s TYR 90 N 0.04 2.88 -0.06 5.22 1.51 -0.44 -0.85 117.35 125.65 1mju s TYR 90 Ca 0.36 -1.29 -0.06 0.00 -1.01 0.00 0.00 57.07 55.07 1mju s TYR 90 Cb -0.19 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1mju s TYR 90 CO 0.20 -0.67 0.19 0.71 -1.11 0.00 0.00 175.55 174.87 1mju s TYR 91 N 1.39 3.59 0.11 2.71 2.02 0.12 -1.52 117.35 125.77 1mju s TYR 91 Ca 0.05 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.29 1mju s TYR 91 Cb -0.14 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1mju s TYR 91 CO -0.08 0.69 0.19 0.00 -1.57 0.00 0.00 175.55 174.78 1mju s ALA 93 N -1.59 -0.84 0.50 0.00 0.00 -0.16 -0.89 121.76 118.78 1mju s ALA 93 Ca 0.33 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1mju s ALA 93 Cb -0.12 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1mju s ALA 93 CO 0.26 -0.39 0.02 0.54 0.00 0.00 0.00 175.76 176.19 1mju s ASN 94 N -1.86 3.98 -0.13 0.00 6.03 0.02 -0.24 114.94 122.73 1mju s ASN 94 Ca -0.07 -1.65 -0.03 0.00 -1.03 0.00 0.00 52.86 50.07 1mju s ASN 94 Cb -0.02 0.51 0.05 0.00 -3.03 0.00 0.00 41.25 38.76 1mju s ASN 94 CO -0.01 -0.86 0.06 -0.75 -2.03 0.00 0.00 177.10 173.51 1mju s LYS 95 N -3.86 0.22 -0.56 3.55 2.20 -1.03 -2.59 119.74 117.67 1mju s LYS 95 Ca 0.08 -0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.63 1mju s LYS 95 Cb 0.02 -1.46 0.15 0.00 -1.51 0.00 0.00 37.83 35.02 1mju s LYS 95 CO 0.04 -0.54 0.39 -0.51 -0.36 0.00 0.00 175.35 174.38 1mju s LEU 96 N 2.07 5.41 0.00 5.43 1.02 -0.25 -4.28 118.68 128.08 1mju s LEU 96 Ca 0.03 -2.50 0.00 0.00 0.02 0.00 0.00 54.13 51.68 1mju s LEU 96 Cb -0.15 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.17 1mju s LEU 96 CO -0.07 -0.47 0.00 0.61 0.02 0.00 0.00 176.35 176.44 1mju n GLY 97 N 4.01 2.72 0.06 -3.19 0.00 -1.26 -1.81 105.19 105.71 1mju n GLY 97 Ca 0.03 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1mju n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mju n TRP 98 N 13.39 0.43 -3.59 1.61 7.02 -1.26 -4.85 117.44 130.18 1mju n TRP 98 Ca 0.00 0.14 -0.40 0.00 -1.02 0.00 0.00 57.50 56.22 1mju n TRP 98 Cb 0.00 -0.73 -0.11 0.00 -2.42 0.00 0.00 31.31 28.05 1mju n TRP 98 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1mju s PHE 99 N -3.10 3.23 0.38 -5.99 0.40 -0.75 -5.08 117.98 107.07 1mju s PHE 99 Ca 0.09 -0.81 -0.16 0.00 -0.60 0.00 0.00 56.93 55.45 1mju s PHE 99 Cb 0.13 -2.44 -0.09 0.00 0.51 0.00 0.00 43.02 41.12 1mju s PHE 99 CO 0.46 -0.59 0.83 -2.14 0.70 0.00 0.00 175.22 174.47 1mju s PRO 101 N 1.59 4.05 0.02 0.24 0.02 -1.26 -1.09 135.00 138.57 1mju s PRO 101 Ca 0.03 0.81 0.07 0.00 0.02 0.00 0.00 61.00 61.93 1mju s PRO 101 Cb -0.19 -2.32 -0.02 0.00 0.02 0.00 0.00 34.50 31.99 1mju s PRO 101 CO 0.07 0.04 -0.19 0.71 -0.33 0.00 0.00 177.00 177.30 1mju s TYR 102 N -2.14 1.71 0.04 6.54 2.02 -1.07 -4.97 117.35 119.48 1mju s TYR 102 Ca 0.57 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 57.00 1mju s TYR 102 Cb -0.10 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1mju s TYR 102 CO 0.19 0.05 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.38 1mju s TRP 103 N -0.69 2.37 1.05 2.71 0.52 -1.26 -0.80 118.94 122.84 1mju s TRP 103 Ca 0.07 -0.38 -0.15 0.00 0.02 0.00 0.00 56.10 55.65 1mju s TRP 103 Cb -0.08 -1.40 0.22 0.00 -1.15 0.00 0.00 33.47 31.05 1mju s TRP 103 CO 0.01 0.15 1.14 0.20 0.02 0.00 0.00 176.95 178.47 1mju s GLY 104 N -1.28 1.60 0.01 0.98 0.00 -0.07 -4.66 107.32 103.91 1mju s GLY 104 Ca 0.12 -0.74 0.28 0.00 0.00 0.00 0.00 44.72 44.39 1mju s GLY 104 CO 0.03 -0.01 1.83 0.61 0.00 0.00 0.00 173.10 175.56 1mju n GLN 105 N -4.26 0.02 0.00 2.90 -0.00 -1.26 -4.80 117.38 109.98 1mju n GLN 105 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 1mju n GLN 105 Cb 0.59 -1.52 0.00 0.00 -0.00 0.00 0.00 30.24 29.31 1mju n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mju n GLY 106 N 1.49 -0.76 3.38 2.61 0.00 -1.26 -5.01 105.19 105.63 1mju n GLY 106 Ca 0.07 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1mju n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mju s THR 107 N -2.84 3.50 -0.43 2.61 2.01 -0.57 -4.57 115.64 115.35 1mju s THR 107 Ca 0.00 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.28 1mju s THR 107 Cb 0.00 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.97 1mju s THR 107 CO 0.00 0.45 0.89 -0.22 -0.69 0.00 0.00 174.62 175.06 1mju s LEU 108 N 0.99 4.04 -0.23 4.42 2.96 -0.55 -1.33 118.68 128.99 1mju s LEU 108 Ca 0.00 0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 53.98 1mju s LEU 108 Cb -0.15 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 1mju s LEU 108 CO 0.00 -0.95 0.47 -0.69 -1.32 0.00 0.00 176.35 173.86 1mju s VAL 109 N 3.56 5.13 -0.21 1.68 1.01 -0.32 -1.63 120.40 129.62 1mju s VAL 109 Ca 0.36 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 1mju s VAL 109 Cb -0.11 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 1mju s VAL 109 CO 0.23 0.16 -0.07 -0.89 0.00 0.00 0.00 175.10 174.53 1mju s THR 110 N 1.83 3.15 -0.41 3.92 2.01 -0.58 -2.14 115.64 123.41 1mju s THR 110 Ca 0.21 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 1mju s THR 110 Cb -0.15 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1mju s THR 110 CO 0.09 0.45 0.46 -0.69 -0.69 0.00 0.00 174.62 174.24 1mju s VAL 111 N 1.39 5.06 -0.09 3.82 1.01 -1.26 -1.07 120.40 129.26 1mju s VAL 111 Ca 0.05 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1mju s VAL 111 Cb -0.14 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.30 1mju s VAL 111 CO -0.04 -0.41 0.84 -0.55 0.00 0.00 0.00 175.10 174.94 1mju s SER 112 N 1.83 -0.49 0.00 3.32 0.15 -0.31 -4.84 113.70 113.35 1mju s SER 112 Ca 0.14 0.47 0.26 0.00 0.70 0.00 0.00 55.95 57.52 1mju s SER 112 Cb -0.17 0.42 0.77 0.00 -1.71 0.00 0.00 66.02 65.33 1mju s SER 112 CO 0.14 -0.51 1.58 0.00 1.20 0.00 0.00 173.24 175.66 1mju n ALA 113 N 0.65 3.13 -1.65 5.45 0.00 -1.26 -4.01 120.51 122.82 1mju n ALA 113 Ca -0.14 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 1mju n ALA 113 Cb 0.58 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.88 1mju n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mju s ALA 114 N -2.64 2.67 0.38 0.00 0.00 -1.26 -5.03 121.76 115.89 1mju s ALA 114 Ca 0.21 0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 1mju s ALA 114 Cb 0.19 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 1mju s ALA 114 CO 0.56 -0.88 0.79 -1.59 0.00 0.00 0.00 175.76 174.64 1mju s LYS 115 N -3.87 3.92 0.26 0.00 -2.85 -1.26 -5.02 119.74 110.92 1mju s LYS 115 Ca 0.66 0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 55.98 1mju s LYS 115 Cb -0.18 -2.37 -0.10 0.00 -2.06 0.00 0.00 37.83 33.12 1mju s LYS 115 CO 0.35 0.02 1.48 0.99 0.10 0.00 0.00 175.35 178.28 1mju s THR 116 N -2.23 2.51 -0.05 3.79 2.01 -1.26 -4.74 115.64 115.67 1mju s THR 116 Ca 0.54 0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.96 1mju s THR 116 Cb -0.10 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.16 1mju s THR 116 CO 0.24 0.07 0.01 -0.89 -0.69 0.00 0.00 174.62 173.37 1mju s THR 117 N -0.03 0.23 0.46 -0.82 2.01 0.03 -4.95 115.64 112.58 1mju s THR 117 Ca 0.60 0.16 -0.22 0.00 0.31 0.00 0.00 61.69 62.55 1mju s THR 117 Cb -0.43 -0.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 1mju s THR 117 CO 0.45 0.21 1.06 0.00 -0.69 0.00 0.00 174.62 175.65 1mju s ALA 118 N 1.72 2.94 0.54 7.40 0.00 -1.26 -1.49 121.76 131.62 1mju s ALA 118 Ca 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 1mju s ALA 118 Cb -0.13 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1mju s ALA 118 CO -0.04 -0.33 1.03 -1.25 0.00 0.00 0.00 175.76 175.17 1mju s PRO 119 N -2.94 3.62 -0.02 0.00 0.04 -1.26 -4.60 135.00 129.84 1mju s PRO 119 Ca 0.64 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 1mju s PRO 119 Cb -0.20 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1mju s PRO 119 CO 0.24 -0.56 0.55 -1.12 0.04 0.00 0.00 177.00 176.15 1mju s SER 120 N -2.63 6.91 -0.16 6.66 0.01 -0.36 -4.92 113.70 119.21 1mju s SER 120 Ca 0.63 1.09 0.01 0.00 1.31 0.00 0.00 55.95 58.99 1mju s SER 120 Cb -0.14 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1mju s SER 120 CO 0.30 0.12 -0.19 -0.69 0.41 0.00 0.00 173.24 173.20 1mju s VAL 121 N -0.21 2.31 -0.13 3.43 1.01 -1.26 -0.86 120.40 124.68 1mju s VAL 121 Ca 0.29 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1mju s VAL 121 Cb -0.18 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1mju s VAL 121 CO 0.16 0.53 -0.21 -0.31 0.00 0.00 0.00 175.10 175.27 1mju s TYR 122 N 0.96 2.53 0.18 5.22 2.02 -0.04 -4.99 117.35 123.23 1mju s TYR 122 Ca -0.03 -1.26 -0.30 0.00 -0.37 0.00 0.00 57.07 55.11 1mju s TYR 122 Cb -0.15 -1.74 -0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1mju s TYR 122 CO -0.04 -0.58 1.03 -1.25 -1.57 0.00 0.00 175.55 173.14 1mju s PRO 123 N 0.84 4.68 -0.35 -1.71 0.04 -1.26 -1.39 135.00 135.85 1mju s PRO 123 Ca -0.07 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.60 1mju s PRO 123 Cb -0.15 -3.29 0.09 0.00 0.04 0.00 0.00 34.50 31.19 1mju s PRO 123 CO -0.02 0.21 0.07 -0.51 0.04 0.00 0.00 177.00 176.79 1mju s LEU 124 N -0.53 4.70 0.48 -3.56 1.43 -0.13 -4.97 118.68 116.11 1mju s LEU 124 Ca 0.47 -1.98 -0.04 0.00 -1.03 0.00 0.00 54.13 51.54 1mju s LEU 124 Cb -0.27 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1mju s LEU 124 CO 0.34 -0.40 0.77 0.00 0.23 0.00 0.00 176.35 177.29 1mju s ALA 125 N 1.01 3.44 0.94 4.21 0.00 -1.26 -1.52 121.76 128.57 1mju s ALA 125 Ca 0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 1mju s ALA 125 Cb -0.20 -2.52 0.16 0.00 0.00 0.00 0.00 23.12 20.55 1mju s ALA 125 CO -0.06 -0.36 1.10 -2.14 0.00 0.00 0.00 175.76 174.30 1mju s PRO 126 N -4.72 0.87 0.35 0.00 0.02 -1.26 -4.96 135.00 125.31 1mju s PRO 126 Ca 0.47 1.22 -0.27 0.00 0.02 0.00 0.00 61.00 62.44 1mju s PRO 126 Cb -0.10 -1.73 -0.12 0.00 0.02 0.00 0.00 34.50 32.56 1mju s PRO 126 CO 0.44 -2.62 1.15 0.28 -0.33 0.00 0.00 177.00 175.91 1mju n VAL 127 N -4.20 2.12 -0.84 3.83 0.31 -1.26 -4.71 118.33 113.59 1mju n VAL 127 Ca 0.09 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.51 1mju n VAL 127 Cb 0.53 -1.31 -0.10 0.00 -0.91 0.00 0.00 33.84 32.05 1mju n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mju n SER 137 N 10.15 0.00 -4.05 0.00 3.41 -1.26 -5.21 113.62 116.66 1mju n SER 137 Ca 0.47 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.88 1mju n SER 137 Cb 0.42 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.23 1mju n SER 137 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mju s VAL 138 N 0.00 0.83 -0.10 -3.33 0.11 -0.34 -4.65 120.40 112.93 1mju s VAL 138 Ca 0.00 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1mju s VAL 138 Cb 0.00 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1mju s VAL 138 CO 0.00 0.20 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.93 1mju s THR 139 N -0.32 2.98 0.26 5.04 2.01 -1.26 -1.44 115.64 122.91 1mju s THR 139 Ca 0.03 -0.71 0.11 0.00 0.31 0.00 0.00 61.69 61.43 1mju s THR 139 Cb -0.04 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1mju s THR 139 CO -0.00 0.55 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.60 1mju s LEU 140 N -0.06 2.85 0.25 4.42 1.43 -0.20 -4.50 118.68 122.87 1mju s LEU 140 Ca -0.03 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1mju s LEU 140 Cb -0.14 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1mju s LEU 140 CO 0.04 0.03 0.09 -0.83 0.23 0.00 0.00 176.35 175.92 1mju s GLY 141 N -3.47 1.69 -0.09 -3.19 0.00 -0.58 -1.29 107.32 100.39 1mju s GLY 141 Ca 0.30 -1.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.13 1mju s GLY 141 CO 0.17 -1.58 0.20 0.00 0.00 0.00 0.00 173.10 171.88 1mju s LEU 143 N 1.62 2.89 -0.36 0.00 2.96 -0.48 -1.52 118.68 123.78 1mju s LEU 143 Ca -0.05 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1mju s LEU 143 Cb -0.11 -1.70 0.09 0.00 0.50 0.00 0.00 46.19 44.97 1mju s LEU 143 CO -0.07 0.09 0.11 -0.69 -1.32 0.00 0.00 176.35 174.47 1mju s VAL 144 N 0.80 2.93 -0.07 1.68 1.01 0.08 -0.86 120.40 125.96 1mju s VAL 144 Ca -0.03 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.01 1mju s VAL 144 Cb -0.15 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1mju s VAL 144 CO 0.01 -0.53 -0.21 -0.75 0.00 0.00 0.00 175.10 173.62 1mju s LYS 145 N 1.10 2.75 -0.20 2.72 2.20 -0.04 -1.10 119.74 127.17 1mju s LYS 145 Ca 0.06 -0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1mju s LYS 145 Cb -0.21 -2.29 -0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1mju s LYS 145 CO -0.05 0.36 0.16 0.41 -0.36 0.00 0.00 175.35 175.88 1mju n GLY 146 N 3.02 0.32 3.51 5.54 0.00 -0.42 -1.23 105.19 115.93 1mju n GLY 146 Ca -0.18 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1mju n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mju s TYR 147 N -3.06 2.39 -0.27 1.61 1.13 -0.77 -4.41 117.35 113.97 1mju s TYR 147 Ca 0.00 -0.30 -0.24 0.00 -1.41 0.00 0.00 57.07 55.12 1mju s TYR 147 Cb -0.00 -1.05 0.08 0.00 -1.10 0.00 0.00 41.96 39.90 1mju s TYR 147 CO 0.12 0.69 0.80 0.12 -2.51 0.00 0.00 175.55 174.76 1mju s PHE 148 N -2.42 -0.73 1.06 -3.49 2.19 -0.55 -0.38 117.98 113.65 1mju s PHE 148 Ca 0.30 1.75 -0.18 0.00 0.33 0.00 0.00 56.93 59.13 1mju s PHE 148 Cb -0.05 0.32 0.25 0.00 -1.31 0.00 0.00 43.02 42.23 1mju s PHE 148 CO 0.16 -0.35 1.14 -0.35 1.83 0.00 0.00 175.22 177.65 1mju n PRO 149 N 2.74 -2.19 -1.08 10.12 -0.04 -1.26 -0.79 135.00 142.50 1mju n PRO 149 Ca -0.14 -1.80 -0.35 0.00 -0.04 0.00 0.00 63.50 61.18 1mju n PRO 149 Cb 0.56 -1.43 0.09 0.00 -0.04 0.00 0.00 33.50 32.68 1mju n PRO 149 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mju n GLU 150 N -4.20 0.08 -2.57 0.54 1.02 -1.26 -4.78 120.64 109.46 1mju n GLU 150 Ca 0.15 0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 57.13 1mju n GLU 150 Cb 0.55 -1.91 0.12 0.00 -0.02 0.00 0.00 31.44 30.18 1mju n GLU 150 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1mju s PRO 151 N -3.22 1.55 0.31 3.49 0.04 -1.26 -4.89 135.00 131.01 1mju s PRO 151 Ca 0.63 -1.15 0.08 0.00 0.04 0.00 0.00 61.00 60.61 1mju s PRO 151 Cb -0.29 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1mju s PRO 151 CO 0.61 -1.55 0.11 0.14 0.04 0.00 0.00 177.00 176.34 1mju s VAL 152 N -3.20 3.32 -0.29 -0.36 -7.23 -1.26 -4.22 120.40 107.16 1mju s VAL 152 Ca 0.67 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1mju s VAL 152 Cb -0.05 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 33.95 1mju s VAL 152 CO 0.45 -0.26 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.08 1mju s THR 153 N -2.36 2.93 -0.17 5.32 2.01 -0.06 -4.98 115.64 118.33 1mju s THR 153 Ca 0.35 -1.36 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 1mju s THR 153 Cb -0.04 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1mju s THR 153 CO 0.22 -0.07 0.05 -0.22 -0.69 0.00 0.00 174.62 173.91 1mju s LEU 154 N 1.25 3.75 0.23 4.42 0.20 -1.26 -1.45 118.68 125.83 1mju s LEU 154 Ca -0.05 0.08 0.04 0.00 0.69 0.00 0.00 54.13 54.89 1mju s LEU 154 Cb -0.19 -1.93 -0.05 0.00 -0.43 0.00 0.00 46.19 43.58 1mju s LEU 154 CO -0.02 0.20 -0.00 0.42 -0.29 0.00 0.00 176.35 176.66 1mju s THR 157 N 0.18 1.06 -0.11 3.68 -4.23 -0.39 -5.01 115.64 110.82 1mju s THR 157 Ca 0.04 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1mju s THR 157 Cb -0.12 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 1mju s THR 157 CO 0.01 -0.32 -0.17 0.26 -0.54 0.00 0.00 174.62 173.86 1mju s TRP 158 N -3.40 2.72 -1.54 3.99 0.52 -1.26 -0.97 118.94 118.99 1mju s TRP 158 Ca 0.29 -0.74 -0.12 0.00 0.02 0.00 0.00 56.10 55.55 1mju s TRP 158 Cb 0.06 -1.78 0.09 0.00 -1.15 0.00 0.00 33.47 30.68 1mju s TRP 158 CO 0.09 -0.25 0.80 0.09 0.02 0.00 0.00 176.95 177.70 1mju n ASN 162 N 3.44 -3.20 -1.56 2.95 5.03 0.08 -1.39 115.26 120.61 1mju n ASN 162 Ca -0.18 -0.89 -0.17 0.00 0.87 0.00 0.00 54.58 54.20 1mju n ASN 162 Cb 0.53 -3.41 -0.05 0.00 -1.02 0.00 0.00 39.78 35.83 1mju n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1mju n SER 163 N -2.83 -5.09 0.00 6.41 7.64 -1.26 -1.92 113.62 116.57 1mju n SER 163 Ca -0.04 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1mju n SER 163 Cb 0.56 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 1mju n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mju n GLY 164 N -0.90 0.31 0.22 0.23 0.00 -0.49 -4.96 105.19 99.61 1mju n GLY 164 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1mju n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mju h SER 165 N 0.00 0.00 -3.26 1.61 4.64 -1.35 -3.38 113.55 111.82 1mju h SER 165 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 1mju h SER 165 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 1mju h SER 165 CO 0.00 0.16 -0.35 -0.22 -0.87 0.00 0.00 176.83 175.55 1mju s LEU 166 N -6.48 5.77 -0.01 5.97 2.96 -1.09 -4.88 118.68 120.91 1mju s LEU 166 Ca 0.02 -1.81 0.01 0.00 -0.22 0.00 0.00 54.13 52.13 1mju s LEU 166 Cb 0.09 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1mju s LEU 166 CO 0.63 -0.72 0.01 -1.54 -1.32 0.00 0.00 176.35 173.41 1mju n SER 167 N 5.01 4.79 -4.78 3.68 3.41 -1.26 -4.24 113.62 120.24 1mju n SER 167 Ca -0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.14 1mju n SER 167 Cb 0.41 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 1mju n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1mju s SER 168 N -2.93 6.64 -0.67 4.04 0.01 -1.26 -3.68 113.70 115.84 1mju s SER 168 Ca -0.00 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1mju s SER 168 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1mju s SER 168 CO 0.03 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1mju n GLY 169 N 0.42 0.85 3.83 3.44 0.00 -1.26 -4.73 105.19 107.74 1mju n GLY 169 Ca 0.05 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1mju n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mju s VAL 171 N -2.13 5.46 -0.22 1.61 1.01 -1.24 -1.83 120.40 123.06 1mju s VAL 171 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1mju s VAL 171 Cb 0.00 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1mju s VAL 171 CO 0.00 0.56 -0.05 -1.00 0.00 0.00 0.00 175.10 174.61 1mju s HIS 172 N -0.61 2.15 -0.24 5.22 3.76 -0.23 -5.00 115.29 120.33 1mju s HIS 172 Ca 0.13 -1.54 -0.07 0.00 -0.15 0.00 0.00 55.06 53.43 1mju s HIS 172 Cb -0.12 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 1mju s HIS 172 CO 0.03 -0.73 0.07 0.99 -0.85 0.00 0.00 174.74 174.24 1mju s THR 173 N 1.48 4.30 0.25 1.30 2.01 -1.26 -1.02 115.64 122.70 1mju s THR 173 Ca -0.04 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 1mju s THR 173 Cb -0.18 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.25 1mju s THR 173 CO -0.07 0.35 0.58 -0.36 -0.69 0.00 0.00 174.62 174.43 1mju s PHE 174 N 1.54 3.43 0.49 4.92 0.08 -0.53 -5.02 117.98 122.88 1mju s PHE 174 Ca 0.06 0.90 -0.24 0.00 0.12 0.00 0.00 56.93 57.77 1mju s PHE 174 Cb -0.15 -2.28 -0.07 0.00 -0.57 0.00 0.00 43.02 39.95 1mju s PHE 174 CO 0.03 0.23 1.34 -2.30 -0.10 0.00 0.00 175.22 174.42 1mju n PRO 175 N -0.28 1.90 -1.67 0.24 -0.02 -1.26 -4.51 135.00 129.40 1mju n PRO 175 Ca 0.01 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 1mju n PRO 175 Cb 0.53 -2.52 0.05 0.00 -0.02 0.00 0.00 33.50 31.53 1mju n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mju s ALA 176 N -1.24 2.48 -0.03 3.55 0.00 -1.26 -4.82 121.76 120.43 1mju s ALA 176 Ca 0.66 0.43 0.07 0.00 0.00 0.00 0.00 51.96 53.12 1mju s ALA 176 Cb -0.45 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1mju s ALA 176 CO 0.54 -1.31 -0.24 0.54 0.00 0.00 0.00 175.76 175.28 1mju s VAL 177 N -2.53 1.93 -0.18 0.00 0.11 -0.36 -4.95 120.40 114.42 1mju s VAL 177 Ca 0.65 -1.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1mju s VAL 177 Cb -0.19 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 1mju s VAL 177 CO 0.45 0.54 0.04 -0.22 -3.33 0.00 0.00 175.10 172.58 1mju s LEU 178 N -0.44 3.66 -0.15 2.54 2.96 -1.26 -1.62 118.68 124.38 1mju s LEU 178 Ca 0.05 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1mju s LEU 178 Cb -0.11 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.73 1mju s LEU 178 CO 0.00 0.17 0.32 -1.58 -1.32 0.00 0.00 176.35 173.95 1mju s GLN 179 N 0.38 0.25 -1.02 1.98 2.00 -0.48 -4.95 119.66 117.82 1mju s GLN 179 Ca 0.01 0.77 -0.05 0.00 -2.00 0.00 0.00 55.36 54.09 1mju s GLN 179 Cb -0.13 0.03 0.01 0.00 0.80 0.00 0.00 33.01 33.72 1mju s GLN 179 CO 0.01 -0.22 0.72 0.43 -0.50 0.00 0.00 175.29 175.73 1mju n SER 180 N 4.87 -5.06 -1.08 6.67 7.64 -1.26 -1.97 113.62 123.43 1mju n SER 180 Ca -0.15 -0.33 -0.14 0.00 1.01 0.00 0.00 58.87 59.26 1mju n SER 180 Cb 0.52 -3.74 -0.06 0.00 -1.01 0.00 0.00 64.21 59.91 1mju n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1mju n ASP 183 N -1.60 -5.15 -4.02 6.43 8.00 -1.26 -5.00 116.55 113.95 1mju n ASP 183 Ca -0.02 0.35 -0.19 0.00 0.71 0.00 0.00 54.79 55.63 1mju n ASP 183 Cb 0.56 -3.89 -0.15 0.00 -0.02 0.00 0.00 41.12 37.61 1mju n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1mju s LEU 184 N -3.20 1.93 0.16 0.64 1.43 -0.83 -4.74 118.68 114.06 1mju s LEU 184 Ca 0.00 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1mju s LEU 184 Cb 0.00 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 1mju s LEU 184 CO 0.00 0.10 0.41 -0.31 0.23 0.00 0.00 176.35 176.78 1mju s TYR 185 N -0.06 3.46 -0.00 0.29 2.02 0.49 -1.38 117.35 122.17 1mju s TYR 185 Ca 0.01 0.61 0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1mju s TYR 185 Cb -0.05 -2.05 -0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1mju s TYR 185 CO -0.00 0.40 -0.04 0.99 -1.57 0.00 0.00 175.55 175.32 1mju s THR 186 N -1.70 0.35 0.03 -0.71 2.01 -0.64 -1.30 115.64 113.68 1mju s THR 186 Ca 0.42 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 1mju s THR 186 Cb -0.12 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 1mju s THR 186 CO 0.24 0.10 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.03 1mju s LEU 187 N -0.09 2.33 0.14 4.42 0.20 -0.26 -1.22 118.68 124.20 1mju s LEU 187 Ca 0.02 -0.72 0.03 0.00 0.69 0.00 0.00 54.13 54.15 1mju s LEU 187 Cb -0.02 0.16 -0.04 0.00 -0.43 0.00 0.00 46.19 45.86 1mju s LEU 187 CO -0.00 -0.44 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.62 1mju s SER 188 N -2.12 1.41 -0.01 3.68 1.04 -1.26 -0.74 113.70 115.70 1mju s SER 188 Ca -0.06 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.29 1mju s SER 188 Cb -0.02 0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 1mju s SER 188 CO -0.05 -0.44 0.06 -0.55 0.98 0.00 0.00 173.24 173.24 1mju s SER 189 N -3.12 0.03 0.14 7.02 0.15 -0.58 -1.45 113.70 115.88 1mju s SER 189 Ca 0.17 -0.09 0.10 0.00 0.70 0.00 0.00 55.95 56.83 1mju s SER 189 Cb 0.05 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1mju s SER 189 CO -0.01 -0.17 -0.22 -0.94 1.20 0.00 0.00 173.24 173.10 1mju s SER 190 N -0.65 3.61 -0.01 5.45 1.04 -0.19 -1.07 113.70 121.87 1mju s SER 190 Ca -0.07 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 1mju s SER 190 Cb -0.04 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1mju s SER 190 CO 0.00 0.17 0.04 0.54 0.98 0.00 0.00 173.24 174.97 1mju s VAL 191 N -1.21 -0.00 -0.15 5.02 0.11 -0.41 -1.07 120.40 122.69 1mju s VAL 191 Ca 0.17 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1mju s VAL 191 Cb -0.10 -0.06 0.02 0.00 -1.53 0.00 0.00 36.38 34.71 1mju s VAL 191 CO 0.09 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.82 1mju s THR 192 N 0.07 1.63 0.25 5.04 2.01 -0.76 -1.03 115.64 122.86 1mju s THR 192 Ca -0.00 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1mju s THR 192 Cb -0.01 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1mju s THR 192 CO -0.00 0.47 0.05 0.68 -0.69 0.00 0.00 174.62 175.13 1mju s VAL 193 N 1.39 0.85 0.45 3.82 -7.23 -0.52 -4.67 120.40 114.48 1mju s VAL 193 Ca 0.03 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 57.95 1mju s VAL 193 Cb -0.13 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1mju s VAL 193 CO -0.10 -0.15 1.33 0.42 -0.31 0.00 0.00 175.10 176.30 1mju s THR 194 N -3.55 2.42 0.49 5.32 -4.23 -1.26 -1.20 115.64 113.63 1mju s THR 194 Ca 0.33 0.36 0.25 0.00 -1.18 0.00 0.00 61.69 61.45 1mju s THR 194 Cb 0.07 -3.21 0.29 0.00 1.34 0.00 0.00 72.50 71.00 1mju s THR 194 CO 0.12 0.04 2.13 0.77 -0.54 0.00 0.00 174.62 177.13 1mju h SER 195 N 2.30 0.00 0.88 3.99 4.64 -1.89 0.81 113.55 124.28 1mju h SER 195 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1mju h SER 195 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1mju h SER 195 CO 0.61 0.08 0.00 0.77 -0.87 0.00 0.00 176.83 177.42 1mju h SER 196 N 0.00 0.00 0.11 4.97 4.64 -1.98 -3.25 113.55 118.04 1mju h SER 196 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1mju h SER 196 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1mju h SER 196 CO 0.01 0.00 -0.89 0.74 -0.87 0.00 0.00 176.83 175.82 1mju h THR 198 N 0.00 1.33 -3.69 2.95 2.02 -1.19 -3.42 112.91 110.91 1mju h THR 198 Ca 0.00 -2.22 -0.27 0.00 0.77 0.00 0.00 66.41 64.69 1mju h THR 198 Cb 0.44 2.24 -0.30 0.00 -1.74 0.00 0.00 68.15 68.79 1mju h THR 198 CO 0.00 0.68 -0.73 0.86 0.37 0.00 0.00 175.52 176.70 1mju s TRP 199 N -3.47 0.12 -1.41 3.16 -0.00 -1.23 -1.11 118.94 114.99 1mju s TRP 199 Ca -0.08 0.01 0.08 0.00 -0.00 0.00 0.00 56.10 56.11 1mju s TRP 199 Cb 0.09 -0.14 0.31 0.00 -0.00 0.00 0.00 33.47 33.73 1mju s TRP 199 CO 0.89 -0.03 1.14 -0.35 -0.00 0.00 0.00 176.95 178.60 1mju n PRO 200 N 3.38 2.14 -0.31 5.86 -0.04 -1.26 -4.86 135.00 139.91 1mju n PRO 200 Ca -0.17 -1.22 0.07 0.00 -0.04 0.00 0.00 63.50 62.14 1mju n PRO 200 Cb 0.57 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.80 1mju n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1mju h SER 202 N 1.77 0.85 -1.81 3.54 0.02 -1.81 -3.43 113.55 112.67 1mju h SER 202 Ca 0.00 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.41 1mju h SER 202 Cb 0.74 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 1mju h SER 202 CO 0.09 0.48 -0.56 -1.10 -1.14 0.00 0.00 176.83 174.60 1mju s GLN 203 N -5.86 2.19 -0.08 3.45 -0.21 -0.27 -5.11 119.66 113.78 1mju s GLN 203 Ca -0.11 -1.73 -0.19 0.00 0.02 0.00 0.00 55.36 53.35 1mju s GLN 203 Cb 0.21 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 32.18 1mju s GLN 203 CO 0.80 0.05 0.51 -1.12 -2.12 0.00 0.00 175.29 173.41 1mju s SER 204 N -3.80 6.78 -0.08 5.90 0.01 -1.26 -4.65 113.70 116.59 1mju s SER 204 Ca 0.37 0.92 0.01 0.00 1.31 0.00 0.00 55.95 58.56 1mju s SER 204 Cb 0.01 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1mju s SER 204 CO 0.21 0.05 -0.07 -0.63 0.41 0.00 0.00 173.24 173.22 1mju s ILE 205 N 0.27 0.81 -0.03 1.44 1.01 -1.26 -4.99 121.20 118.46 1mju s ILE 205 Ca 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.73 1mju s ILE 205 Cb -0.16 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 1mju s ILE 205 CO 0.12 0.31 -0.12 -0.89 0.00 0.00 0.00 174.94 174.36 1mju s THR 206 N 1.26 1.03 -0.07 2.92 2.01 -1.26 -1.18 115.64 120.35 1mju s THR 206 Ca -0.04 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 1mju s THR 206 Cb -0.14 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1mju s THR 206 CO -0.02 0.31 0.52 0.00 -0.69 0.00 0.00 174.62 174.73 1mju s ASN 209 N 0.25 3.45 -0.12 0.00 -0.87 -0.14 -0.91 114.94 116.60 1mju s ASN 209 Ca 0.28 -0.45 -0.01 0.00 -1.57 0.00 0.00 52.86 51.11 1mju s ASN 209 Cb -0.16 -1.37 0.03 0.00 -0.02 0.00 0.00 41.25 39.73 1mju s ASN 209 CO 0.13 0.18 -0.03 -0.69 -2.57 0.00 0.00 177.10 174.12 1mju s VAL 210 N 0.22 0.80 -0.13 1.60 1.01 -0.01 -1.27 120.40 122.62 1mju s VAL 210 Ca -0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1mju s VAL 210 Cb -0.16 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1mju s VAL 210 CO 0.07 0.21 0.05 0.00 0.00 0.00 0.00 175.10 175.42 1mju s ALA 211 N 1.79 3.43 -0.42 5.51 0.00 -0.53 -1.37 121.76 130.17 1mju s ALA 211 Ca 0.03 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1mju s ALA 211 Cb -0.14 -1.75 0.12 0.00 0.00 0.00 0.00 23.12 21.35 1mju s ALA 211 CO -0.07 0.41 0.16 -1.58 0.00 0.00 0.00 175.76 174.68 1mju s HIS 212 N -0.35 3.08 0.36 0.00 2.46 -0.45 -0.88 115.29 119.51 1mju s HIS 212 Ca 0.08 -2.86 0.06 0.00 0.47 0.00 0.00 55.06 52.82 1mju s HIS 212 Cb -0.12 -2.62 0.74 0.00 -0.13 0.00 0.00 32.58 30.45 1mju s HIS 212 CO 0.02 -0.84 1.94 -1.00 -2.47 0.00 0.00 174.74 172.38 1mju h PRO 213 N 7.12 0.74 0.00 2.88 0.13 -1.83 -2.34 132.00 138.70 1mju h PRO 213 Ca -0.06 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1mju h PRO 213 Cb 0.96 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1mju h PRO 213 CO 0.57 0.49 -0.11 0.00 -0.23 0.00 0.00 178.00 178.72 1mju h ALA 214 N 1.59 1.64 -0.17 -0.56 0.00 -1.88 -2.43 119.26 117.45 1mju h ALA 214 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1mju h ALA 214 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1mju h ALA 214 CO -0.13 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1mju n SER 215 N -4.15 2.75 -3.83 0.00 3.41 -0.93 -4.99 113.62 105.88 1mju n SER 215 Ca -0.02 -1.81 -0.29 0.00 -0.26 0.00 0.00 58.87 56.48 1mju n SER 215 Cb 0.19 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1mju n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mju n SER 216 N 1.03 -4.83 -4.58 4.04 7.64 -0.92 -4.99 113.62 111.01 1mju n SER 216 Ca 0.13 -0.72 -0.29 0.00 1.01 0.00 0.00 58.87 58.99 1mju n SER 216 Cb 0.47 -3.86 -0.09 0.00 -1.01 0.00 0.00 64.21 59.71 1mju n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mju s THR 217 N -3.26 3.36 -0.08 0.44 -4.23 -1.17 -5.01 115.64 105.69 1mju s THR 217 Ca 0.63 -1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1mju s THR 217 Cb -0.32 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 70.96 1mju s THR 217 CO 0.78 0.04 0.17 -0.54 -0.54 0.00 0.00 174.62 174.53 1mju s LYS 218 N -2.42 0.05 0.01 3.99 1.02 -1.26 -1.34 119.74 119.80 1mju s LYS 218 Ca 0.23 0.54 0.07 0.00 0.02 0.00 0.00 55.97 56.83 1mju s LYS 218 Cb -0.10 -0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 36.95 1mju s LYS 218 CO 0.15 -0.28 -0.21 0.08 -0.92 0.00 0.00 175.35 174.17 1mju s VAL 219 N 2.08 1.68 -0.07 3.17 1.01 -0.47 -4.98 120.40 122.82 1mju s VAL 219 Ca 0.01 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1mju s VAL 219 Cb -0.12 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1mju s VAL 219 CO -0.06 0.34 -0.24 -1.81 0.00 0.00 0.00 175.10 173.34 1mju s ASP 220 N -0.83 3.16 -0.19 3.32 1.01 -1.26 -0.83 116.67 121.04 1mju s ASP 220 Ca 0.08 -0.51 -0.02 0.00 0.71 0.00 0.00 52.55 52.81 1mju s ASP 220 Cb -0.08 -1.05 0.06 0.00 1.01 0.00 0.00 42.92 42.85 1mju s ASP 220 CO 0.00 0.22 0.01 -0.54 0.21 0.00 0.00 175.17 175.08 1mju s LYS 221 N -0.01 0.87 0.19 8.23 -0.14 -0.09 -5.00 119.74 123.79 1mju s LYS 221 Ca -0.08 -0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 53.72 1mju s LYS 221 Cb -0.15 -2.15 -0.08 0.00 -1.68 0.00 0.00 37.83 33.77 1mju s LYS 221 CO 0.05 -0.61 1.16 0.21 -0.76 0.00 0.00 175.35 175.40 1mju s LYS 222 N 1.77 4.53 -0.25 1.68 2.20 -1.26 -1.13 119.74 127.28 1mju s LYS 222 Ca -0.01 1.82 -0.27 0.00 -0.36 0.00 0.00 55.97 57.14 1mju s LYS 222 Cb -0.17 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1mju s LYS 222 CO -0.07 -0.02 0.95 0.42 -0.36 0.00 0.00 175.35 176.26 1mju s ILE 223 N -0.16 4.73 -0.02 5.43 -1.09 -0.33 -4.90 121.20 124.86 1mju s ILE 223 Ca 0.51 1.77 0.06 0.00 -2.23 0.00 0.00 60.65 60.76 1mju s ILE 223 Cb -0.31 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 1mju s ILE 223 CO 0.36 -0.18 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.08 1mju s GLU 226 N 3.10 2.25 0.42 2.79 0.41 -1.26 -4.74 118.70 121.67 1mju s GLU 226 Ca 0.40 -0.85 -0.26 0.00 -0.41 0.00 0.00 54.97 53.85 1mju s GLU 226 Cb -0.15 -2.19 -0.10 0.00 -1.78 0.00 0.00 34.13 29.91 1mju s GLU 226 CO 0.08 0.58 1.40 -2.30 -0.49 0.00 0.00 175.26 174.53 1mju n PRO 227 N 2.24 2.27 -2.15 0.39 -0.02 -1.26 -4.66 135.00 131.81 1mju n PRO 227 Ca -0.17 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1mju n PRO 227 Cb 0.52 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 1mju n PRO 227 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1mju s ARG 228 N -2.26 4.38 0.75 -0.52 0.52 -1.26 -5.05 118.95 115.50 1mju s ARG 228 Ca 0.59 2.16 -0.01 0.00 -0.52 0.00 0.00 55.73 57.95 1mju s ARG 228 Cb -0.48 -3.11 0.15 0.00 0.52 0.00 0.00 34.95 32.03 1mju s ARG 228 CO 0.60 -0.19 1.03 0.20 0.02 0.00 0.00 175.30 176.95 1mju s GLY 229 N -0.27 1.75 0.00 -3.53 0.00 -1.26 -4.99 107.32 99.02 1mju s GLY 229 Ca 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1mju s GLY 229 CO 0.48 -1.23 0.28 -1.05 0.00 0.00 0.00 173.10 171.58