#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7m s SER 2 N 0.00 1.82 -0.13 1.61 0.01 -1.26 -5.08 113.70 110.67 2e7m s SER 2 Ca 0.00 -0.82 -0.09 0.00 1.31 0.00 0.00 55.95 56.34 2e7m s SER 2 Cb 0.00 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.13 2e7m s SER 2 CO 0.00 -0.19 -0.21 -1.54 0.41 0.00 0.00 173.24 171.70 2e7m n SER 3 N 0.49 1.33 -3.15 2.44 3.41 -1.26 -5.05 113.62 111.83 2e7m n SER 3 Ca -0.15 0.22 0.06 0.00 -0.26 0.00 0.00 58.87 58.74 2e7m n SER 3 Cb 0.57 -0.52 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2e7m n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e7m s GLY 4 N -5.03 -0.73 -1.25 5.00 0.00 -1.26 -4.97 107.32 99.09 2e7m s GLY 4 Ca -0.21 2.47 -0.06 0.00 0.00 0.00 0.00 44.72 46.92 2e7m s GLY 4 CO 0.28 4.16 0.85 -1.26 0.00 0.00 0.00 173.10 177.12 2e7m n SER 5 N 5.12 -5.72 -4.58 1.64 2.88 -1.26 -4.98 113.62 106.72 2e7m n SER 5 Ca 0.07 -0.39 -0.39 0.00 -1.33 0.00 0.00 58.87 56.83 2e7m n SER 5 Cb 0.58 -4.42 -0.10 0.00 -0.75 0.00 0.00 64.21 59.52 2e7m n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e7m s SER 6 N -3.08 6.09 0.00 -3.46 0.15 -1.26 -5.08 113.70 107.07 2e7m s SER 6 Ca 0.42 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2e7m s SER 6 Cb -0.18 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2e7m s SER 6 CO 0.52 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2e7m n GLY 7 N 4.97 0.27 3.75 9.45 0.00 -1.26 -4.93 105.19 117.44 2e7m n GLY 7 Ca -0.12 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2e7m n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7m s PRO 8 N 0.00 4.41 -0.27 1.61 0.04 -1.26 -5.03 135.00 134.51 2e7m s PRO 8 Ca 0.00 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.99 2e7m s PRO 8 Cb 0.00 -3.17 0.11 0.00 0.04 0.00 0.00 34.50 31.48 2e7m s PRO 8 CO 0.00 -0.19 0.59 -0.98 0.04 0.00 0.00 177.00 176.46 2e7m s ARG 9 N -0.55 0.52 0.01 4.56 1.70 -1.26 -5.16 118.95 118.77 2e7m s ARG 9 Ca 0.54 1.32 0.04 0.00 -0.47 0.00 0.00 55.73 57.16 2e7m s ARG 9 Cb -0.36 0.67 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2e7m s ARG 9 CO 0.41 -0.21 -0.14 0.95 -1.08 0.00 0.00 175.30 175.23 2e7m s THR 10 N 2.70 1.09 0.44 4.99 -4.23 -1.26 -5.16 115.64 114.22 2e7m s THR 10 Ca -0.05 -0.75 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 2e7m s THR 10 Cb -0.11 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2e7m s THR 10 CO -0.17 0.18 0.14 0.68 -0.54 0.00 0.00 174.62 174.91 2e7m s VAL 11 N -0.53 2.00 -0.29 2.29 -7.23 -1.26 -5.00 120.40 110.38 2e7m s VAL 11 Ca 0.04 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 2e7m s VAL 11 Cb -0.06 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2e7m s VAL 11 CO 0.00 0.00 1.40 -0.54 -0.31 0.00 0.00 175.10 175.65 2e7m s LYS 12 N -3.90 3.85 -0.24 4.82 1.02 0.29 -4.87 119.74 120.71 2e7m s LYS 12 Ca 0.34 1.33 -0.29 0.00 0.02 0.00 0.00 55.97 57.37 2e7m s LYS 12 Cb 0.04 -3.93 -0.02 0.00 -0.52 0.00 0.00 37.83 33.40 2e7m s LYS 12 CO 0.19 -1.21 1.56 -1.83 -0.92 0.00 0.00 175.35 173.14 2e7m s GLU 13 N 4.37 3.80 0.29 1.68 -1.05 -1.26 -2.26 118.70 124.28 2e7m s GLU 13 Ca 0.61 1.57 0.06 0.00 -0.15 0.00 0.00 54.97 57.06 2e7m s GLU 13 Cb -0.19 -4.01 -0.02 0.00 -0.44 0.00 0.00 34.13 29.47 2e7m s GLU 13 CO 0.26 -1.28 0.40 -0.51 0.95 0.00 0.00 175.26 175.08 2e7m s LEU 14 N 5.08 4.11 -0.57 1.83 1.43 -1.11 -4.91 118.68 124.55 2e7m s LEU 14 Ca 0.69 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2e7m s LEU 14 Cb -0.23 -2.77 0.15 0.00 0.03 0.00 0.00 46.19 43.37 2e7m s LEU 14 CO 0.28 -0.25 0.36 -0.89 0.23 0.00 0.00 176.35 176.08 2e7m s THR 15 N -2.09 3.42 -0.37 5.49 2.01 -0.87 -4.71 115.64 118.52 2e7m s THR 15 Ca 0.39 -2.87 -0.21 0.00 0.31 0.00 0.00 61.69 59.31 2e7m s THR 15 Cb -0.09 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.15 2e7m s THR 15 CO 0.30 -0.83 0.69 -0.69 -0.69 0.00 0.00 174.62 173.40 2e7m s VAL 16 N 0.10 4.82 -0.06 3.82 1.01 -1.26 -2.48 120.40 126.35 2e7m s VAL 16 Ca 0.16 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2e7m s VAL 16 Cb -0.21 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.05 2e7m s VAL 16 CO -0.03 -0.40 -0.05 -0.55 0.00 0.00 0.00 175.10 174.07 2e7m s SER 17 N 1.85 1.39 0.12 3.32 0.15 0.18 -3.84 113.70 116.88 2e7m s SER 17 Ca 0.27 -0.16 -0.13 0.00 0.70 0.00 0.00 55.95 56.63 2e7m s SER 17 Cb -0.14 -0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 63.57 2e7m s SER 17 CO 0.16 -0.09 1.46 0.00 1.20 0.00 0.00 173.24 175.97 2e7m h ALA 18 N 7.62 0.51 0.00 5.45 0.00 -1.82 0.59 119.26 131.61 2e7m h ALA 18 Ca -0.31 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2e7m h ALA 18 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2e7m h ALA 18 CO 0.41 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.63 2e7m n GLY 19 N 0.12 1.17 3.59 0.00 0.00 -1.26 -4.33 105.19 104.48 2e7m n GLY 19 Ca -0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 2e7m n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e7m s ASP 20 N -1.13 -0.16 0.28 1.61 2.15 -1.26 -5.14 116.67 113.02 2e7m s ASP 20 Ca 0.00 0.04 -0.30 0.00 0.43 0.00 0.00 52.55 52.73 2e7m s ASP 20 Cb 0.00 0.16 -0.13 0.00 -0.30 0.00 0.00 42.92 42.64 2e7m s ASP 20 CO 0.00 -0.24 1.25 -0.46 -0.17 0.00 0.00 175.17 175.55 2e7m n ASN 21 N 0.06 2.26 -4.45 -0.34 6.94 -1.26 -4.80 115.26 113.66 2e7m n ASN 21 Ca -0.01 1.17 -0.32 0.00 -0.02 0.00 0.00 54.58 55.40 2e7m n ASN 21 Cb 0.58 -1.39 -0.13 0.00 -2.36 0.00 0.00 39.78 36.48 2e7m n ASN 21 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2e7m s LEU 22 N -0.10 2.62 -0.09 -4.53 2.01 -0.67 -5.02 118.68 112.90 2e7m s LEU 22 Ca 0.62 -0.27 -0.00 0.00 0.01 0.00 0.00 54.13 54.49 2e7m s LEU 22 Cb -0.66 -1.52 0.02 0.00 0.01 0.00 0.00 46.19 44.04 2e7m s LEU 22 CO 0.56 0.33 -0.05 -0.63 1.01 0.00 0.00 176.35 177.57 2e7m s ILE 23 N -0.75 0.75 0.37 -0.59 1.01 -1.26 -1.05 121.20 119.68 2e7m s ILE 23 Ca 0.12 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.72 2e7m s ILE 23 Cb -0.10 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.49 2e7m s ILE 23 CO 0.01 0.32 0.06 0.27 0.00 0.00 0.00 174.94 175.60 2e7m s ILE 24 N 1.68 2.48 -0.03 2.92 -4.36 -0.36 -4.99 121.20 118.54 2e7m s ILE 24 Ca 0.02 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 2e7m s ILE 24 Cb -0.13 -2.88 0.01 0.00 1.25 0.00 0.00 42.46 40.71 2e7m s ILE 24 CO -0.06 -0.12 -0.04 -0.89 0.24 0.00 0.00 174.94 174.07 2e7m s THR 25 N -2.56 0.45 0.80 8.37 2.01 -1.25 -0.43 115.64 123.02 2e7m s THR 25 Ca 0.37 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.08 2e7m s THR 25 Cb 0.02 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.09 2e7m s THR 25 CO 0.20 0.18 0.70 0.18 -0.69 0.00 0.00 174.62 175.18 2e7m n LEU 26 N 3.65 1.66 0.22 4.42 4.77 -0.90 -2.32 117.00 128.51 2e7m n LEU 26 Ca -0.21 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.40 2e7m n LEU 26 Cb 0.53 -1.30 0.49 0.00 -2.33 0.00 0.00 43.42 40.82 2e7m n LEU 26 CO 0.24 -2.81 0.81 1.55 -1.33 0.00 0.00 177.39 175.86 2e7m h PRO 27 N -0.76 0.00 -5.72 3.23 0.13 -1.94 -3.41 132.00 123.52 2e7m h PRO 27 Ca -0.45 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 2e7m h PRO 27 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2e7m h PRO 27 CO 0.42 0.24 1.45 -0.25 -0.23 0.00 0.00 178.00 179.63 2e7m n ASP 28 N -3.52 0.71 -0.52 1.44 8.00 -0.98 -4.76 116.55 116.92 2e7m n ASP 28 Ca -0.01 0.52 0.07 0.00 0.71 0.00 0.00 54.79 56.08 2e7m n ASP 28 Cb 0.40 -0.93 0.15 0.00 -0.02 0.00 0.00 41.12 40.72 2e7m n ASP 28 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2e7m n ASN 29 N 8.52 1.70 -4.31 -2.24 0.23 -1.26 -3.97 115.26 113.93 2e7m n ASN 29 Ca 0.57 -3.27 -0.32 0.00 -0.53 0.00 0.00 54.58 51.03 2e7m n ASN 29 Cb -0.00 -0.44 -0.16 0.00 -2.08 0.00 0.00 39.78 37.10 2e7m n ASN 29 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2e7m s GLU 30 N -2.49 2.67 -0.09 -3.83 2.02 -1.26 -3.18 118.70 112.54 2e7m s GLU 30 Ca 0.33 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.39 2e7m s GLU 30 Cb 0.31 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 32.31 2e7m s GLU 30 CO -0.04 0.39 0.24 0.54 0.02 0.00 0.00 175.26 176.40 2e7m s VAL 31 N -0.16 -0.00 -0.15 2.63 0.11 -1.20 -4.95 120.40 116.68 2e7m s VAL 31 Ca -0.03 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2e7m s VAL 31 Cb -0.14 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2e7m s VAL 31 CO 0.04 0.00 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.07 2e7m s GLU 32 N 0.14 3.64 -0.03 1.54 -6.30 -1.26 -1.17 118.70 115.26 2e7m s GLU 32 Ca -0.00 -0.51 0.07 0.00 -2.50 0.00 0.00 54.97 52.03 2e7m s GLU 32 Cb -0.02 -2.91 -0.02 0.00 0.00 0.00 0.00 34.13 31.19 2e7m s GLU 32 CO 0.00 0.27 -0.25 -0.51 0.02 0.00 0.00 175.26 174.79 2e7m s LEU 33 N 0.29 2.05 -0.00 2.70 1.43 -0.02 -4.96 118.68 120.17 2e7m s LEU 33 Ca -0.03 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2e7m s LEU 33 Cb -0.14 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 2e7m s LEU 33 CO 0.03 0.29 -0.26 -0.75 0.23 0.00 0.00 176.35 175.89 2e7m s LYS 34 N -0.45 2.03 -0.38 1.70 2.20 -1.26 -0.64 119.74 122.94 2e7m s LYS 34 Ca 0.05 -0.98 -0.12 0.00 -0.36 0.00 0.00 55.97 54.56 2e7m s LYS 34 Cb -0.11 -2.03 0.02 0.00 -1.51 0.00 0.00 37.83 34.20 2e7m s LYS 34 CO 0.01 0.55 0.23 0.00 -0.36 0.00 0.00 175.35 175.77 2e7m s ALA 35 N -0.66 3.35 -0.19 3.13 0.00 -0.98 -4.16 121.76 122.25 2e7m s ALA 35 Ca 0.10 -1.67 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 2e7m s ALA 35 Cb -0.10 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2e7m s ALA 35 CO -0.00 -1.33 0.42 -0.06 0.00 0.00 0.00 175.76 174.78 2e7m s PHE 36 N 1.61 3.40 -0.16 0.00 0.08 0.20 -4.92 117.98 118.18 2e7m s PHE 36 Ca 0.03 0.67 0.01 0.00 0.12 0.00 0.00 56.93 57.76 2e7m s PHE 36 Cb -0.19 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.73 2e7m s PHE 36 CO 0.08 0.02 -0.17 0.08 -0.10 0.00 0.00 175.22 175.12 2e7m s VAL 37 N 1.21 2.40 -0.07 -0.44 1.01 -1.26 -0.65 120.40 122.60 2e7m s VAL 37 Ca 0.20 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2e7m s VAL 37 Cb -0.15 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 2e7m s VAL 37 CO 0.08 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.50 2e7m s ALA 38 N 0.99 1.88 1.07 5.51 0.00 -1.04 -3.12 121.76 127.06 2e7m s ALA 38 Ca -0.02 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 2e7m s ALA 38 Cb -0.15 -0.67 0.22 0.00 0.00 0.00 0.00 23.12 22.53 2e7m s ALA 38 CO -0.04 0.29 1.10 -1.25 0.00 0.00 0.00 175.76 175.86 2e7m s PRO 39 N 0.21 -0.16 0.21 0.00 0.04 -1.26 -2.05 135.00 131.99 2e7m s PRO 39 Ca -0.11 0.32 -0.21 0.00 0.04 0.00 0.00 61.00 61.03 2e7m s PRO 39 Cb -0.15 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 2e7m s PRO 39 CO 0.05 -3.08 0.75 0.00 0.04 0.00 0.00 177.00 174.76 2e7m s ALA 40 N -2.98 3.41 0.61 8.56 0.00 -1.18 -4.95 121.76 125.23 2e7m s ALA 40 Ca 0.67 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 2e7m s ALA 40 Cb -0.16 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2e7m s ALA 40 CO 0.57 0.31 1.12 -1.25 0.00 0.00 0.00 175.76 176.51 2e7m s PRO 41 N -1.78 3.04 0.20 0.00 0.04 -1.26 -5.05 135.00 130.19 2e7m s PRO 41 Ca 0.42 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 2e7m s PRO 41 Cb -0.18 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2e7m s PRO 41 CO 0.22 -1.08 0.18 -0.35 0.04 0.00 0.00 177.00 176.02 2e7m n PRO 42 N -1.93 -1.37 0.09 0.56 -0.04 -1.26 -4.96 135.00 126.08 2e7m n PRO 42 Ca 0.11 -0.29 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 2e7m n PRO 42 Cb 0.52 -0.27 -0.01 0.00 -0.04 0.00 0.00 33.50 33.70 2e7m n PRO 42 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2e7m h VAL 43 N -1.71 1.53 0.00 0.52 3.04 -2.06 -3.38 116.25 114.19 2e7m h VAL 43 Ca -0.07 -2.71 0.00 0.00 -1.01 0.00 0.00 66.70 62.91 2e7m h VAL 43 Cb 0.21 2.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 2e7m h VAL 43 CO 0.04 0.78 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.05 2e7m h GLU 44 N 0.07 0.00 -6.99 4.17 3.07 -2.04 -3.46 114.58 109.39 2e7m h GLU 44 Ca -0.03 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.28 2e7m h GLU 44 Cb 1.51 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 29.54 2e7m h GLU 44 CO 0.13 0.00 0.72 0.99 -1.40 0.00 0.00 179.01 179.44 2e7m s THR 45 N -1.06 2.02 -0.01 1.13 2.01 -1.26 -5.02 115.64 113.44 2e7m s THR 45 Ca -0.00 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2e7m s THR 45 Cb 0.00 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.51 2e7m s THR 45 CO 0.00 0.00 -0.02 0.42 -0.69 0.00 0.00 174.62 174.34 2e7m s THR 46 N -1.19 0.19 0.42 -0.82 -4.23 -1.26 -4.05 115.64 104.70 2e7m s THR 46 Ca 0.61 -0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 2e7m s THR 46 Cb -0.44 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 2e7m s THR 46 CO 0.57 0.08 0.69 -0.31 -0.54 0.00 0.00 174.62 175.12 2e7m s TYR 47 N 0.27 3.54 -0.10 3.99 2.02 -1.26 -5.04 117.35 120.77 2e7m s TYR 47 Ca -0.02 0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 57.29 2e7m s TYR 47 Cb -0.05 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2e7m s TYR 47 CO -0.01 -0.11 0.02 -0.80 -1.57 0.00 0.00 175.55 173.08 2e7m s ASN 48 N -4.03 5.34 -0.32 2.29 0.01 -1.26 -5.05 114.94 111.92 2e7m s ASN 48 Ca 0.44 0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 52.73 2e7m s ASN 48 Cb -0.10 -1.56 0.06 0.00 0.41 0.00 0.00 41.25 40.05 2e7m s ASN 48 CO 0.41 0.36 0.04 -0.31 -1.51 0.00 0.00 177.10 176.09 2e7m s TYR 49 N -0.78 3.31 -0.32 2.20 2.02 -1.26 -4.14 117.35 118.38 2e7m s TYR 49 Ca 0.12 -1.90 0.00 0.00 -0.37 0.00 0.00 57.07 54.92 2e7m s TYR 49 Cb -0.12 -2.29 0.07 0.00 -0.40 0.00 0.00 41.96 39.22 2e7m s TYR 49 CO 0.02 -0.82 0.03 -2.00 -1.57 0.00 0.00 175.55 171.21 2e7m s GLU 50 N 1.25 2.13 0.30 -0.62 2.12 -1.08 -4.25 118.70 118.55 2e7m s GLU 50 Ca -0.03 -1.51 -0.10 0.00 0.36 0.00 0.00 54.97 53.69 2e7m s GLU 50 Cb -0.20 -3.20 -0.07 0.00 0.26 0.00 0.00 34.13 30.91 2e7m s GLU 50 CO -0.01 -0.76 0.65 -1.58 -0.54 0.00 0.00 175.26 173.02 2e7m s TRP 51 N 1.13 3.43 -0.25 5.30 0.52 0.84 -0.60 118.94 129.31 2e7m s TRP 51 Ca -0.00 0.96 -0.20 0.00 0.02 0.00 0.00 56.10 56.88 2e7m s TRP 51 Cb -0.20 -2.35 0.07 0.00 -1.15 0.00 0.00 33.47 29.84 2e7m s TRP 51 CO -0.04 0.13 0.65 -0.80 0.02 0.00 0.00 176.95 176.91 2e7m s ASN 52 N -2.64 -0.76 -0.04 2.95 0.01 -0.94 -4.06 114.94 109.46 2e7m s ASN 52 Ca 0.49 1.36 -0.24 0.00 -0.71 0.00 0.00 52.86 53.77 2e7m s ASN 52 Cb -0.11 1.32 -0.04 0.00 0.41 0.00 0.00 41.25 42.84 2e7m s ASN 52 CO 0.24 -0.23 0.73 -0.22 -1.51 0.00 0.00 177.10 176.10 2e7m s LEU 53 N 0.83 4.35 0.00 0.60 2.96 -1.26 -1.28 118.68 124.88 2e7m s LEU 53 Ca -0.04 1.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 2e7m s LEU 53 Cb -0.05 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.50 2e7m s LEU 53 CO -0.07 -0.09 0.00 2.30 -1.32 0.00 0.00 176.35 177.18 2e7m n ILE 54 N 3.53 0.00 -3.35 6.68 -5.35 -1.07 -4.96 119.36 114.83 2e7m n ILE 54 Ca -0.01 0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 62.01 2e7m n ILE 54 Cb 0.51 -1.15 -0.04 0.00 -1.74 0.00 0.00 39.64 37.22 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2e7m s SER 55 N -4.81 6.35 -0.08 7.28 0.15 -1.24 -4.98 113.70 116.38 2e7m s SER 55 Ca 0.00 -2.22 -0.15 0.00 0.70 0.00 0.00 55.95 54.28 2e7m s SER 55 Cb 0.00 -2.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 2e7m s SER 55 CO 0.00 -0.71 0.37 -1.38 1.20 0.00 0.00 173.24 172.73 2e7m s HIS 56 N 0.91 -0.33 0.32 3.44 -3.43 -1.26 -0.83 115.29 114.11 2e7m s HIS 56 Ca 0.10 0.70 -0.29 0.00 -0.80 0.00 0.00 55.06 54.77 2e7m s HIS 56 Cb -0.21 0.14 -0.10 0.00 -1.43 0.00 0.00 32.58 30.98 2e7m s HIS 56 CO -0.03 -0.32 1.23 -1.25 -2.00 0.00 0.00 174.74 172.37 2e7m s PRO 57 N -0.58 4.44 0.57 -0.38 0.04 -1.25 -4.91 135.00 132.93 2e7m s PRO 57 Ca -0.07 2.05 0.27 0.00 0.04 0.00 0.00 61.00 63.29 2e7m s PRO 57 Cb -0.04 -3.10 1.55 0.00 0.04 0.00 0.00 34.50 32.96 2e7m s PRO 57 CO 0.03 -0.05 2.08 0.00 0.04 0.00 0.00 177.00 179.09 2e7m h THR 58 N 3.02 0.58 0.00 1.26 1.03 -2.01 0.58 112.91 117.37 2e7m h THR 58 Ca -0.48 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.90 2e7m h THR 58 Cb 1.22 0.83 -0.00 0.00 -1.07 0.00 0.00 68.15 69.12 2e7m h THR 58 CO 0.66 0.00 -0.08 0.44 -0.01 0.00 0.00 175.52 176.53 2e7m h ASP 59 N 0.00 0.00 -3.95 0.00 3.32 -2.01 -3.43 116.42 110.35 2e7m h ASP 59 Ca 0.12 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.61 2e7m h ASP 59 Cb 0.57 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.29 2e7m h ASP 59 CO -0.00 0.08 0.35 0.00 -1.72 0.00 0.00 179.24 177.95 2e7m n TYR 60 N -4.18 1.43 0.00 4.55 9.36 0.19 -4.94 117.16 123.58 2e7m n TYR 60 Ca -0.03 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.61 2e7m n TYR 60 Cb 0.16 -2.20 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 2e7m n TYR 60 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2e7m n GLN 61 N -1.82 0.73 -0.97 2.98 6.02 -1.26 -5.03 117.38 118.02 2e7m n GLN 61 Ca 0.15 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.80 2e7m n GLN 61 Cb 0.48 -0.66 0.03 0.00 1.02 0.00 0.00 30.24 31.11 2e7m n GLN 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7m n GLY 62 N 1.69 -4.28 2.99 1.08 0.00 -1.26 -4.98 105.19 100.42 2e7m n GLY 62 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2e7m n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e7m s GLU 63 N -1.79 1.53 0.45 1.61 -1.05 -1.26 -5.15 118.70 113.04 2e7m s GLU 63 Ca 0.40 -0.34 0.02 0.00 -0.15 0.00 0.00 54.97 54.89 2e7m s GLU 63 Cb -0.20 -1.32 0.01 0.00 -0.44 0.00 0.00 34.13 32.18 2e7m s GLU 63 CO 0.77 -0.02 0.66 0.42 0.95 0.00 0.00 175.26 178.04 2e7m s ILE 64 N 0.79 3.59 -0.24 1.83 1.01 -1.26 -5.01 121.20 121.91 2e7m s ILE 64 Ca -0.12 -0.66 0.12 0.00 0.00 0.00 0.00 60.65 59.98 2e7m s ILE 64 Cb -0.15 -3.31 0.49 0.00 0.01 0.00 0.00 42.46 39.50 2e7m s ILE 64 CO 0.02 -0.19 1.41 0.29 0.00 0.00 0.00 174.94 176.47 2e7m n LYS 65 N -2.06 2.03 -1.91 2.79 4.01 -1.26 -4.93 118.16 116.84 2e7m n LYS 65 Ca 0.03 -3.06 -0.13 0.00 -0.51 0.00 0.00 58.31 54.65 2e7m n LYS 65 Cb 0.58 -1.78 -0.03 0.00 -0.51 0.00 0.00 35.03 33.29 2e7m n LYS 65 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2e7m n GLN 66 N -1.00 -1.74 -2.81 1.97 6.02 -1.26 -3.35 117.38 115.21 2e7m n GLN 66 Ca 0.28 0.69 -0.24 0.00 -0.01 0.00 0.00 57.00 57.72 2e7m n GLN 66 Cb 0.94 -5.11 0.02 0.00 1.02 0.00 0.00 30.24 27.11 2e7m n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7m n GLY 67 N -0.53 -0.09 0.09 1.08 0.00 -1.26 -0.11 105.19 104.36 2e7m n GLY 67 Ca -0.14 0.68 0.05 0.00 0.00 0.00 0.00 46.02 46.61 2e7m n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2e7m n HIS 68 N -0.52 0.34 -3.76 1.61 8.25 -1.21 -4.17 115.22 115.76 2e7m n HIS 68 Ca -0.09 0.18 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 2e7m n HIS 68 Cb 0.45 -0.72 -0.00 0.00 1.12 0.00 0.00 29.99 30.84 2e7m n HIS 68 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e7m n LYS 69 N -1.84 1.10 0.19 -0.41 5.02 -1.26 -4.62 118.16 116.35 2e7m n LYS 69 Ca -0.01 -1.77 0.06 0.00 -2.02 0.00 0.00 58.31 54.57 2e7m n LYS 69 Cb 0.09 0.22 0.32 0.00 -0.02 0.00 0.00 35.03 35.64 2e7m n LYS 69 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2e7m h GLN 70 N 0.00 0.00 -6.27 1.97 4.15 -1.88 -3.42 115.11 109.66 2e7m h GLN 70 Ca -0.18 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.55 2e7m h GLN 70 Cb 0.65 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.13 2e7m h GLN 70 CO 0.29 0.37 -0.73 0.95 -1.93 0.00 0.00 178.83 177.77 2e7m s THR 71 N -3.56 3.37 -0.12 2.39 -4.23 -1.26 -2.33 115.64 109.91 2e7m s THR 71 Ca 0.00 -0.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2e7m s THR 71 Cb 0.11 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.59 2e7m s THR 71 CO 0.69 0.55 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.94 2e7m s LEU 72 N -0.91 1.74 -0.10 4.79 2.96 0.19 -4.81 118.68 122.53 2e7m s LEU 72 Ca 0.13 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2e7m s LEU 72 Cb -0.11 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 2e7m s LEU 72 CO 0.02 0.01 -0.04 0.20 -1.32 0.00 0.00 176.35 175.22 2e7m s ASN 73 N 1.06 4.87 0.08 3.68 0.02 -1.26 -0.84 114.94 122.55 2e7m s ASN 73 Ca -0.05 -0.01 0.03 0.00 -1.02 0.00 0.00 52.86 51.81 2e7m s ASN 73 Cb -0.15 -1.45 -0.04 0.00 0.02 0.00 0.00 41.25 39.63 2e7m s ASN 73 CO -0.03 0.31 0.10 -0.76 0.02 0.00 0.00 177.10 176.73 2e7m s LEU 74 N -0.46 3.88 0.00 0.60 2.01 -0.32 -4.95 118.68 119.45 2e7m s LEU 74 Ca 0.07 0.03 -0.09 0.00 0.01 0.00 0.00 54.13 54.15 2e7m s LEU 74 Cb -0.12 -2.55 0.01 0.00 0.01 0.00 0.00 46.19 43.53 2e7m s LEU 74 CO 0.02 0.17 0.17 -0.94 1.01 0.00 0.00 176.35 176.79 2e7m s SER 75 N -2.42 -0.02 -1.69 2.29 1.04 -1.26 -3.21 113.70 108.44 2e7m s SER 75 Ca 0.30 -0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.57 2e7m s SER 75 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2e7m s SER 75 CO 0.23 -0.39 0.06 0.00 0.98 0.00 0.00 173.24 174.11 2e7m n GLN 76 N 1.38 -2.05 -0.99 4.02 6.02 -1.25 -4.90 117.38 119.62 2e7m n GLN 76 Ca -0.22 0.96 -0.29 0.00 -0.01 0.00 0.00 57.00 57.43 2e7m n GLN 76 Cb 0.56 -5.64 0.18 0.00 1.02 0.00 0.00 30.24 26.36 2e7m n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2e7m s LEU 77 N -6.06 1.76 0.14 1.08 1.43 -1.19 -4.75 118.68 111.09 2e7m s LEU 77 Ca 0.03 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.65 2e7m s LEU 77 Cb -0.01 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2e7m s LEU 77 CO 0.04 -3.21 -0.12 -0.55 0.23 0.00 0.00 176.35 172.74 2e7m s SER 78 N -3.15 1.90 -0.30 2.29 0.15 -1.26 -4.87 113.70 108.46 2e7m s SER 78 Ca 0.65 -0.92 -0.29 0.00 0.70 0.00 0.00 55.95 56.10 2e7m s SER 78 Cb -0.20 -0.04 -0.07 0.00 -1.71 0.00 0.00 66.02 64.00 2e7m s SER 78 CO 0.59 -0.24 2.27 0.55 1.20 0.00 0.00 173.24 177.61 2e7m n VAL 79 N 0.14 0.23 -1.01 4.45 3.14 -1.26 -4.63 118.33 119.40 2e7m n VAL 79 Ca -0.13 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 2e7m n VAL 79 Cb 0.59 -2.44 0.00 0.00 -1.06 0.00 0.00 33.84 30.93 2e7m n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2e7m n GLY 80 N 5.96 -1.55 3.83 7.55 0.00 -1.13 -4.93 105.19 114.91 2e7m n GLY 80 Ca 0.34 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 2e7m n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e7m s LEU 81 N 0.00 4.41 -0.10 0.99 2.96 -1.26 -2.32 118.68 123.36 2e7m s LEU 81 Ca 0.00 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2e7m s LEU 81 Cb 0.00 -2.38 0.05 0.00 0.50 0.00 0.00 46.19 44.36 2e7m s LEU 81 CO 0.00 0.31 0.15 -0.31 -1.32 0.00 0.00 176.35 175.18 2e7m s TYR 82 N -0.77 -0.12 -0.35 5.38 2.02 -0.89 -3.81 117.35 118.81 2e7m s TYR 82 Ca 0.20 0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 57.27 2e7m s TYR 82 Cb -0.14 -0.35 0.06 0.00 -0.40 0.00 0.00 41.96 41.13 2e7m s TYR 82 CO 0.09 -0.32 0.11 0.08 -1.57 0.00 0.00 175.55 173.94 2e7m s VAL 83 N 2.26 3.50 -0.20 0.71 1.01 -0.01 -0.81 120.40 126.86 2e7m s VAL 83 Ca 0.04 -1.43 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 2e7m s VAL 83 Cb -0.13 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2e7m s VAL 83 CO -0.06 -0.30 0.37 -0.36 0.00 0.00 0.00 175.10 174.74 2e7m s PHE 84 N 1.31 3.37 -0.32 5.22 0.40 -0.59 -2.61 117.98 124.76 2e7m s PHE 84 Ca -0.00 0.58 -0.07 0.00 -0.60 0.00 0.00 56.93 56.84 2e7m s PHE 84 Cb -0.21 -2.50 0.02 0.00 0.51 0.00 0.00 43.02 40.85 2e7m s PHE 84 CO 0.00 0.00 0.10 0.21 0.70 0.00 0.00 175.22 176.23 2e7m s LYS 85 N 1.27 2.89 -0.49 0.44 2.20 -0.40 -2.27 119.74 123.37 2e7m s LYS 85 Ca 0.18 -1.00 -0.20 0.00 -0.36 0.00 0.00 55.97 54.59 2e7m s LYS 85 Cb -0.15 -3.43 0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2e7m s LYS 85 CO 0.08 -0.55 0.65 0.54 -0.36 0.00 0.00 175.35 175.71 2e7m s VAL 86 N 1.46 4.83 -0.32 4.02 0.11 -1.03 -2.22 120.40 127.26 2e7m s VAL 86 Ca 0.01 -0.29 -0.20 0.00 -2.93 0.00 0.00 61.98 58.57 2e7m s VAL 86 Cb -0.18 -4.29 -0.01 0.00 -1.53 0.00 0.00 36.38 30.37 2e7m s VAL 86 CO 0.03 -0.77 0.60 -0.89 -3.33 0.00 0.00 175.10 170.74 2e7m s THR 87 N 2.76 4.95 -0.13 5.04 2.01 0.23 -1.67 115.64 128.84 2e7m s THR 87 Ca 0.18 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.90 2e7m s THR 87 Cb -0.17 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2e7m s THR 87 CO 0.14 -0.17 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.10 2e7m s VAL 88 N 2.57 1.35 0.03 3.82 1.01 0.34 -2.64 120.40 126.88 2e7m s VAL 88 Ca 0.24 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2e7m s VAL 88 Cb -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2e7m s VAL 88 CO 0.12 0.42 -0.03 -0.94 0.00 0.00 0.00 175.10 174.67 2e7m s SER 89 N 1.53 0.36 0.38 3.32 1.04 -1.26 0.13 113.70 119.20 2e7m s SER 89 Ca 0.04 -0.69 0.05 0.00 0.48 0.00 0.00 55.95 55.83 2e7m s SER 89 Cb -0.13 0.13 -0.07 0.00 0.10 0.00 0.00 66.02 66.06 2e7m s SER 89 CO -0.09 -0.41 0.03 -0.55 0.98 0.00 0.00 173.24 173.20 2e7m s SER 90 N -2.02 3.28 0.32 7.02 0.15 0.07 -4.42 113.70 118.10 2e7m s SER 90 Ca -0.07 -1.40 0.09 0.00 0.70 0.00 0.00 55.95 55.27 2e7m s SER 90 Cb -0.03 -0.19 0.91 0.00 -1.71 0.00 0.00 66.02 65.00 2e7m s SER 90 CO -0.04 -0.55 1.68 1.05 1.20 0.00 0.00 173.24 176.58 2e7m h GLU 91 N 1.88 0.38 -0.30 5.44 4.11 -2.02 -1.14 114.58 122.93 2e7m h GLU 91 Ca -0.42 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 58.75 2e7m h GLU 91 Cb 1.25 -0.09 -0.25 0.00 0.50 0.00 0.00 28.75 30.16 2e7m h GLU 91 CO 0.75 0.25 -0.77 0.27 0.07 0.00 0.00 179.01 179.59 2e7m n ASN 92 N -5.03 2.62 -3.90 3.06 6.94 -1.26 -5.05 115.26 112.63 2e7m n ASN 92 Ca 0.27 -3.32 -0.09 0.00 -0.02 0.00 0.00 54.58 51.42 2e7m n ASN 92 Cb 0.82 -0.43 -0.05 0.00 -2.36 0.00 0.00 39.78 37.76 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2e7m s ALA 93 N -2.93 -0.55 -0.28 -2.53 0.00 -0.43 -0.54 121.76 114.50 2e7m s ALA 93 Ca 0.40 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2e7m s ALA 93 Cb 0.38 0.96 0.11 0.00 0.00 0.00 0.00 23.12 24.57 2e7m s ALA 93 CO -0.05 -0.84 0.83 0.12 0.00 0.00 0.00 175.76 175.82 2e7m s PHE 94 N -3.96 -0.83 0.13 0.00 5.36 -0.96 -0.75 117.98 116.97 2e7m s PHE 94 Ca 0.16 1.67 -0.16 0.00 -0.96 0.00 0.00 56.93 57.64 2e7m s PHE 94 Cb -0.01 0.50 0.03 0.00 -0.34 0.00 0.00 43.02 43.20 2e7m s PHE 94 CO 0.04 -0.41 0.40 0.20 -1.46 0.00 0.00 175.22 173.99 2e7m s GLY 95 N 1.47 -0.25 -0.05 13.12 0.00 0.34 -2.74 107.32 119.22 2e7m s GLY 95 Ca -0.09 -0.08 -0.20 0.00 0.00 0.00 0.00 44.72 44.34 2e7m s GLY 95 CO -0.17 -0.33 0.45 -0.54 0.00 0.00 0.00 173.10 172.51 2e7m s GLU 96 N -3.81 0.78 0.23 2.90 2.02 -1.26 -0.51 118.70 119.05 2e7m s GLU 96 Ca 0.03 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.14 2e7m s GLU 96 Cb 0.02 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.55 2e7m s GLU 96 CO -0.12 -0.21 0.00 0.20 0.02 0.00 0.00 175.26 175.16 2e7m s GLY 97 N -1.04 1.57 -0.06 -1.39 0.00 -0.67 -4.15 107.32 101.59 2e7m s GLY 97 Ca -0.11 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.81 2e7m s GLY 97 CO 0.06 -1.66 0.12 -1.36 0.00 0.00 0.00 173.10 170.26 2e7m s PHE 98 N -3.44 -0.13 -0.01 1.90 0.40 -1.26 -2.48 117.98 112.96 2e7m s PHE 98 Ca 0.29 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.03 2e7m s PHE 98 Cb 0.06 -0.08 0.01 0.00 0.51 0.00 0.00 43.02 43.52 2e7m s PHE 98 CO 0.09 -0.14 0.00 0.54 0.70 0.00 0.00 175.22 176.41 2e7m s VAL 99 N 0.96 0.06 0.06 -0.44 0.11 -0.96 -4.63 120.40 115.55 2e7m s VAL 99 Ca -0.07 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2e7m s VAL 99 Cb -0.10 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 2e7m s VAL 99 CO -0.04 0.06 0.14 0.20 -3.33 0.00 0.00 175.10 172.13 2e7m s ASN 100 N 0.39 5.96 -0.13 3.54 -0.87 -1.26 -1.55 114.94 121.03 2e7m s ASN 100 Ca -0.03 0.15 -0.04 0.00 -1.57 0.00 0.00 52.86 51.37 2e7m s ASN 100 Cb -0.05 -1.74 0.06 0.00 -0.02 0.00 0.00 41.25 39.49 2e7m s ASN 100 CO -0.01 0.19 0.11 -0.69 -2.57 0.00 0.00 177.10 174.13 2e7m s VAL 101 N -1.41 -0.16 -0.16 1.60 1.01 0.01 -1.66 120.40 119.62 2e7m s VAL 101 Ca 0.31 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 2e7m s VAL 101 Cb -0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2e7m s VAL 101 CO 0.23 -0.08 0.10 -0.89 0.00 0.00 0.00 175.10 174.47 2e7m s THR 102 N 2.20 5.16 -0.28 3.92 2.01 -0.22 -2.09 115.64 126.34 2e7m s THR 102 Ca 0.04 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 2e7m s THR 102 Cb -0.14 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.11 2e7m s THR 102 CO -0.07 0.52 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.68 2e7m s VAL 103 N -0.21 3.11 0.42 3.82 1.01 -0.98 -1.22 120.40 126.35 2e7m s VAL 103 Ca 0.09 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.70 2e7m s VAL 103 Cb -0.12 -2.70 -0.11 0.00 0.00 0.00 0.00 36.38 33.46 2e7m s VAL 103 CO 0.01 0.01 0.94 -0.54 0.00 0.00 0.00 175.10 175.52 2e7m s LYS 104 N 1.32 4.24 0.55 2.72 -0.14 0.43 -2.85 119.74 125.99 2e7m s LYS 104 Ca -0.02 1.10 -0.19 0.00 -1.36 0.00 0.00 55.97 55.50 2e7m s LYS 104 Cb -0.18 -2.23 -0.06 0.00 -1.68 0.00 0.00 37.83 33.68 2e7m s LYS 104 CO -0.02 -0.00 1.13 -1.25 -0.76 0.00 0.00 175.35 174.45 2e7m s PRO 105 N -3.10 3.35 -0.66 -1.68 0.04 -1.26 -2.11 135.00 129.57 2e7m s PRO 105 Ca 0.61 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.99 2e7m s PRO 105 Cb -0.10 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 2e7m s PRO 105 CO 0.14 -0.85 2.45 0.00 0.04 0.00 0.00 177.00 178.78 2e7m n ALA 106 N -1.32 0.63 -1.88 8.56 0.00 -1.26 -4.41 120.51 120.83 2e7m n ALA 106 Ca 0.12 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 52.23 2e7m n ALA 106 Cb 0.51 -3.03 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 2e7m n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2e7m s ARG 107 N 8.47 4.18 -0.03 0.00 0.52 -1.26 -5.00 118.95 125.83 2e7m s ARG 107 Ca 1.05 2.39 0.03 0.00 -0.52 0.00 0.00 55.73 58.68 2e7m s ARG 107 Cb -0.39 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 31.45 2e7m s ARG 107 CO 0.28 -0.77 -0.11 -1.12 0.02 0.00 0.00 175.30 173.60 2e7m s SER 108 N 2.59 1.52 -0.27 0.23 0.01 -1.26 -5.07 113.70 111.45 2e7m s SER 108 Ca 0.76 -0.24 -0.32 0.00 1.31 0.00 0.00 55.95 57.46 2e7m s SER 108 Cb -0.41 -0.44 0.18 0.00 0.21 0.00 0.00 66.02 65.56 2e7m s SER 108 CO 0.33 0.08 1.33 -0.83 0.41 0.00 0.00 173.24 174.57 2e7m s GLY 109 N 0.20 -0.02 -0.40 3.44 0.00 -1.26 -5.12 107.32 104.17 2e7m s GLY 109 Ca -0.04 2.50 -0.28 0.00 0.00 0.00 0.00 44.72 46.90 2e7m s GLY 109 CO 0.01 0.96 1.73 2.56 0.00 0.00 0.00 173.10 178.36 2e7m s PRO 110 N -1.35 3.25 -0.09 2.90 0.04 -1.26 -4.96 135.00 133.54 2e7m s PRO 110 Ca 0.09 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 2e7m s PRO 110 Cb -0.01 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 2e7m s PRO 110 CO -0.06 -1.96 1.25 -1.54 0.04 0.00 0.00 177.00 174.73 2e7m s SER 111 N 6.00 6.99 0.11 6.66 1.04 -1.26 -5.00 113.70 128.24 2e7m s SER 111 Ca 0.73 1.81 -0.30 0.00 0.48 0.00 0.00 55.95 58.68 2e7m s SER 111 Cb -0.19 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.32 2e7m s SER 111 CO 0.31 -0.66 0.94 -0.55 0.98 0.00 0.00 173.24 174.26 2e7m s SER 112 N 1.72 7.48 0.00 7.02 0.15 -1.26 -5.35 113.70 123.46 2e7m s SER 112 Ca 0.57 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.99 2e7m s SER 112 Cb -0.25 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2e7m s SER 112 CO 0.20 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.21