#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 5.35 0.63 1.61 0.15 -1.26 -5.08 113.70 115.11 2e7m s SER 2 Ca 0.00 0.03 -0.18 0.00 0.70 0.00 0.00 55.95 56.49 2e7m s SER 2 Cb 0.00 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.42 2e7m s SER 2 CO 0.00 0.19 1.25 -1.20 1.20 0.00 0.00 173.24 174.69 2e7m n SER 3 N 3.39 1.94 -4.38 5.45 7.64 -1.26 -5.02 113.62 121.38 2e7m n SER 3 Ca -0.17 0.84 -0.30 0.00 1.01 0.00 0.00 58.87 60.25 2e7m n SER 3 Cb 0.52 -1.53 -0.14 0.00 -1.01 0.00 0.00 64.21 62.05 2e7m n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e7m s GLY 4 N -1.32 1.50 -0.44 0.23 0.00 -1.26 -5.09 107.32 100.93 2e7m s GLY 4 Ca 0.81 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 44.23 2e7m s GLY 4 CO 0.42 -1.24 0.29 -1.35 0.00 0.00 0.00 173.10 171.22 2e7m s SER 5 N -1.56 3.07 0.19 1.64 1.04 -1.26 -5.12 113.70 111.70 2e7m s SER 5 Ca 0.13 -2.78 -0.08 0.00 0.48 0.00 0.00 55.95 53.70 2e7m s SER 5 Cb -0.10 -0.81 -0.07 0.00 0.10 0.00 0.00 66.02 65.15 2e7m s SER 5 CO 0.04 -0.23 0.48 -0.55 0.98 0.00 0.00 173.24 173.96 2e7m s SER 6 N 0.23 6.57 0.00 7.02 0.15 -1.26 -4.92 113.70 121.49 2e7m s SER 6 Ca 0.22 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2e7m s SER 6 Cb -0.14 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2e7m s SER 6 CO -0.07 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2e7m n GLY 7 N -0.04 0.23 3.66 9.45 0.00 -1.26 -5.09 105.19 112.15 2e7m n GLY 7 Ca -0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 4.21 0.14 1.61 0.04 -1.26 -5.01 135.00 134.72 2e7m s PRO 8 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2e7m s PRO 8 Cb 0.00 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 2e7m s PRO 8 CO 0.00 -0.77 -0.13 -0.98 0.04 0.00 0.00 177.00 175.16 2e7m s ARG 9 N 3.63 1.05 0.01 4.56 3.03 -1.26 -5.16 118.95 124.81 2e7m s ARG 9 Ca 0.67 -1.32 0.00 0.00 2.03 0.00 0.00 55.73 57.11 2e7m s ARG 9 Cb -0.30 -0.83 -0.01 0.00 -1.03 0.00 0.00 34.95 32.78 2e7m s ARG 9 CO 0.25 0.14 -0.02 0.95 -1.13 0.00 0.00 175.30 175.49 2e7m s THR 10 N -2.54 0.12 0.44 4.99 -4.23 -1.26 -5.17 115.64 107.99 2e7m s THR 10 Ca 0.12 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 2e7m s THR 10 Cb -0.02 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 2e7m s THR 10 CO 0.03 -0.15 0.14 0.68 -0.54 0.00 0.00 174.62 174.78 2e7m s VAL 11 N -0.50 1.98 -0.38 2.29 -7.23 -1.26 -4.95 120.40 110.34 2e7m s VAL 11 Ca -0.05 -1.78 -0.24 0.00 -1.81 0.00 0.00 61.98 58.10 2e7m s VAL 11 Cb -0.04 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.15 2e7m s VAL 11 CO -0.00 0.00 0.84 -0.54 -0.31 0.00 0.00 175.10 175.09 2e7m s LYS 12 N -3.90 3.73 -0.36 4.82 1.02 0.22 -4.89 119.74 120.37 2e7m s LYS 12 Ca 0.33 0.34 -0.28 0.00 0.02 0.00 0.00 55.97 56.38 2e7m s LYS 12 Cb 0.04 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2e7m s LYS 12 CO 0.18 -0.94 1.91 -1.83 -0.92 0.00 0.00 175.35 173.75 2e7m s GLU 13 N 3.30 3.13 -0.11 1.68 -1.05 -1.26 -1.73 118.70 122.66 2e7m s GLU 13 Ca 0.34 1.41 -0.14 0.00 -0.15 0.00 0.00 54.97 56.43 2e7m s GLU 13 Cb -0.12 -4.27 -0.05 0.00 -0.44 0.00 0.00 34.13 29.25 2e7m s GLU 13 CO 0.19 -2.10 0.35 -0.51 0.95 0.00 0.00 175.26 174.13 2e7m s LEU 14 N 7.74 4.32 -0.88 1.83 1.43 -0.83 -4.89 118.68 127.40 2e7m s LEU 14 Ca 0.82 0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 54.39 2e7m s LEU 14 Cb -0.22 -2.47 0.09 0.00 0.03 0.00 0.00 46.19 43.62 2e7m s LEU 14 CO 0.32 0.16 1.19 -0.89 0.23 0.00 0.00 176.35 177.35 2e7m s THR 15 N 0.01 4.35 -0.01 5.49 2.01 0.18 -4.29 115.64 123.38 2e7m s THR 15 Ca 0.20 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 2e7m s THR 15 Cb -0.14 -4.84 -0.05 0.00 0.01 0.00 0.00 72.50 67.47 2e7m s THR 15 CO 0.07 -1.64 0.60 -0.69 -0.69 0.00 0.00 174.62 172.27 2e7m s VAL 16 N 3.81 4.93 -0.11 3.82 1.01 -1.26 -1.23 120.40 131.38 2e7m s VAL 16 Ca 0.34 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 2e7m s VAL 16 Cb -0.06 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2e7m s VAL 16 CO -0.04 0.41 0.25 -0.55 0.00 0.00 0.00 175.10 175.17 2e7m s SER 17 N -0.11 -0.20 0.05 3.32 0.15 0.12 -4.25 113.70 112.79 2e7m s SER 17 Ca 0.31 0.53 -0.15 0.00 0.70 0.00 0.00 55.95 57.34 2e7m s SER 17 Cb -0.18 0.43 -0.25 0.00 -1.71 0.00 0.00 66.02 64.31 2e7m s SER 17 CO 0.17 -0.17 1.14 0.00 1.20 0.00 0.00 173.24 175.58 2e7m h ALA 18 N 7.31 0.07 0.00 5.45 0.00 -1.84 0.26 119.26 130.51 2e7m h ALA 18 Ca -0.38 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2e7m h ALA 18 Cb 1.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2e7m h ALA 18 CO 0.35 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.64 2e7m n GLY 19 N 1.19 1.42 3.79 0.00 0.00 -1.26 -4.38 105.19 105.94 2e7m n GLY 19 Ca -0.12 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.08 -0.03 0.16 1.61 2.15 -1.26 -5.14 116.67 113.07 2e7m s ASP 20 Ca 0.00 -0.23 -0.31 0.00 0.43 0.00 0.00 52.55 52.44 2e7m s ASP 20 Cb 0.00 0.21 -0.09 0.00 -0.30 0.00 0.00 42.92 42.75 2e7m s ASP 20 CO 0.00 -0.41 1.39 0.54 -0.17 0.00 0.00 175.17 176.52 2e7m s ASN 21 N -3.32 6.81 -0.06 -0.34 2.20 -1.26 -4.75 114.94 114.21 2e7m s ASN 21 Ca 0.20 2.41 0.03 0.00 -0.94 0.00 0.00 52.86 54.56 2e7m s ASN 21 Cb 0.02 -2.60 -0.02 0.00 -2.00 0.00 0.00 41.25 36.65 2e7m s ASN 21 CO -0.01 -0.64 -0.13 -0.76 -2.94 0.00 0.00 177.10 172.62 2e7m s LEU 22 N 0.60 2.77 -0.07 3.54 2.01 -1.06 -5.05 118.68 121.43 2e7m s LEU 22 Ca 0.62 -0.20 0.02 0.00 0.01 0.00 0.00 54.13 54.58 2e7m s LEU 22 Cb -0.38 -1.58 0.02 0.00 0.01 0.00 0.00 46.19 44.26 2e7m s LEU 22 CO 0.34 0.32 -0.10 -0.63 1.01 0.00 0.00 176.35 177.29 2e7m s ILE 23 N -0.58 1.03 0.32 -0.59 1.01 -1.26 -1.28 121.20 119.85 2e7m s ILE 23 Ca 0.08 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.43 2e7m s ILE 23 Cb -0.11 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 2e7m s ILE 23 CO 0.01 0.34 -0.01 0.27 0.00 0.00 0.00 174.94 175.55 2e7m s ILE 24 N 0.86 2.71 -0.07 2.92 -4.36 -0.26 -4.98 121.20 118.03 2e7m s ILE 24 Ca -0.11 -2.01 -0.00 0.00 -0.26 0.00 0.00 60.65 58.26 2e7m s ILE 24 Cb -0.15 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 40.84 2e7m s ILE 24 CO 0.01 -0.24 -0.04 -0.89 0.24 0.00 0.00 174.94 174.02 2e7m s THR 25 N -2.49 0.60 0.80 8.37 2.01 -1.25 -0.18 115.64 123.49 2e7m s THR 25 Ca 0.34 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 2e7m s THR 25 Cb -0.01 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.77 2e7m s THR 25 CO 0.19 0.27 0.18 0.18 -0.69 0.00 0.00 174.62 174.75 2e7m n LEU 26 N 4.62 -1.19 0.21 4.42 4.77 -0.94 -2.22 117.00 126.67 2e7m n LEU 26 Ca -0.16 0.47 0.15 0.00 -0.03 0.00 0.00 56.01 56.44 2e7m n LEU 26 Cb 0.50 -1.09 0.60 0.00 -2.33 0.00 0.00 43.42 41.11 2e7m n LEU 26 CO 0.17 -3.96 0.93 1.55 -1.33 0.00 0.00 177.39 174.75 2e7m h PRO 27 N -0.70 0.00 -5.51 3.23 0.13 -1.95 -3.40 132.00 123.80 2e7m h PRO 27 Ca -0.44 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 2e7m h PRO 27 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2e7m h PRO 27 CO 0.37 0.00 1.61 -0.25 -0.23 0.00 0.00 178.00 179.50 2e7m n ASP 28 N -2.66 1.50 -0.62 1.44 9.92 -0.94 -4.75 116.55 120.44 2e7m n ASP 28 Ca 0.01 0.02 0.06 0.00 -0.53 0.00 0.00 54.79 54.35 2e7m n ASP 28 Cb 0.26 -1.24 0.18 0.00 -0.64 0.00 0.00 41.12 39.68 2e7m n ASP 28 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2e7m n ASN 29 N 12.11 1.69 -4.13 -2.24 0.23 -1.26 -3.76 115.26 117.90 2e7m n ASN 29 Ca 0.49 -3.58 -0.28 0.00 -0.53 0.00 0.00 54.58 50.68 2e7m n ASN 29 Cb 0.26 -0.49 -0.17 0.00 -2.08 0.00 0.00 39.78 37.31 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 -2.82 2.23 0.00 -3.83 2.02 -1.26 -3.31 118.70 111.74 2e7m s GLU 30 Ca 0.36 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2e7m s GLU 30 Cb 0.35 -1.79 -0.01 0.00 0.10 0.00 0.00 34.13 32.79 2e7m s GLU 30 CO -0.07 0.16 -0.02 0.54 0.02 0.00 0.00 175.26 175.89 2e7m s VAL 31 N 0.34 0.14 -0.39 2.63 0.11 -1.21 -4.96 120.40 117.06 2e7m s VAL 31 Ca -0.13 -0.26 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 2e7m s VAL 31 Cb -0.15 -0.16 0.08 0.00 -1.53 0.00 0.00 36.38 34.62 2e7m s VAL 31 CO 0.05 -0.08 0.19 -0.70 -3.33 0.00 0.00 175.10 171.23 2e7m s GLU 32 N -0.36 2.41 0.51 1.54 2.12 -1.26 -1.67 118.70 122.00 2e7m s GLU 32 Ca -0.03 -1.50 -0.02 0.00 0.36 0.00 0.00 54.97 53.78 2e7m s GLU 32 Cb -0.03 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.76 2e7m s GLU 32 CO -0.00 -0.91 0.77 -0.51 -0.54 0.00 0.00 175.26 174.07 2e7m s LEU 33 N 1.32 3.46 0.04 2.70 1.43 -0.00 -4.89 118.68 122.73 2e7m s LEU 33 Ca 0.03 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2e7m s LEU 33 Cb -0.22 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2e7m s LEU 33 CO -0.00 -0.87 -0.02 -0.75 0.23 0.00 0.00 176.35 174.94 2e7m s LYS 34 N -4.75 0.51 -0.20 1.70 2.20 -1.26 -1.48 119.74 116.46 2e7m s LYS 34 Ca 0.51 -0.99 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2e7m s LYS 34 Cb -0.10 0.18 0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2e7m s LYS 34 CO 0.41 -0.09 -0.11 0.00 -0.36 0.00 0.00 175.35 175.19 2e7m s ALA 35 N -3.02 2.09 -0.22 3.13 0.00 0.48 -4.20 121.76 120.03 2e7m s ALA 35 Ca -0.01 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.61 2e7m s ALA 35 Cb 0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2e7m s ALA 35 CO -0.07 -0.80 0.09 -0.06 0.00 0.00 0.00 175.76 174.92 2e7m s PHE 36 N 1.36 3.21 -0.10 0.00 0.08 0.92 -4.94 117.98 118.52 2e7m s PHE 36 Ca -0.01 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.01 2e7m s PHE 36 Cb -0.16 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2e7m s PHE 36 CO -0.08 -0.01 -0.08 0.08 -0.10 0.00 0.00 175.22 175.02 2e7m s VAL 37 N 0.89 3.54 -0.09 -0.44 1.01 -1.26 0.14 120.40 124.19 2e7m s VAL 37 Ca 0.05 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2e7m s VAL 37 Cb -0.14 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2e7m s VAL 37 CO 0.03 0.56 -0.13 0.00 0.00 0.00 0.00 175.10 175.56 2e7m s ALA 38 N -0.33 1.47 0.88 5.51 0.00 -0.36 -2.50 121.76 126.42 2e7m s ALA 38 Ca 0.04 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 2e7m s ALA 38 Cb -0.13 -0.72 0.12 0.00 0.00 0.00 0.00 23.12 22.40 2e7m s ALA 38 CO 0.02 -0.01 1.09 -1.25 0.00 0.00 0.00 175.76 175.62 2e7m s PRO 39 N 0.89 1.39 0.28 0.00 0.04 -1.26 -0.65 135.00 135.69 2e7m s PRO 39 Ca -0.10 0.86 -0.27 0.00 0.04 0.00 0.00 61.00 61.54 2e7m s PRO 39 Cb -0.15 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2e7m s PRO 39 CO 0.01 -2.16 0.93 0.00 0.04 0.00 0.00 177.00 175.81 2e7m s ALA 40 N -2.93 3.27 0.53 8.56 0.00 -1.04 -4.94 121.76 125.21 2e7m s ALA 40 Ca 0.63 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 2e7m s ALA 40 Cb -0.18 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 2e7m s ALA 40 CO 0.57 0.20 1.13 -1.25 0.00 0.00 0.00 175.76 176.41 2e7m s PRO 41 N -1.71 3.41 0.00 0.00 0.04 -1.26 -5.05 135.00 130.43 2e7m s PRO 41 Ca 0.46 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2e7m s PRO 41 Cb -0.21 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2e7m s PRO 41 CO 0.27 -0.81 0.00 -0.35 0.04 0.00 0.00 177.00 176.15 2e7m n PRO 42 N -1.19 0.22 0.05 0.56 -0.04 -1.17 -4.97 135.00 128.47 2e7m n PRO 42 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2e7m n PRO 42 Cb 0.51 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.90 1.54 0.00 0.52 3.04 -2.05 -3.40 116.25 115.01 2e7m h VAL 43 Ca 0.00 -3.26 0.00 0.00 -1.01 0.00 0.00 66.70 62.43 2e7m h VAL 43 Cb 0.00 2.79 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 2e7m h VAL 43 CO 0.00 0.89 -0.29 -0.33 -1.01 0.00 0.00 177.57 176.83 2e7m h GLU 44 N 0.01 0.00 -6.37 4.17 4.39 -2.04 -3.46 114.58 111.27 2e7m h GLU 44 Ca -0.07 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.08 2e7m h GLU 44 Cb 1.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.48 2e7m h GLU 44 CO 0.13 0.00 0.76 0.99 -1.16 0.00 0.00 179.01 179.73 2e7m s THR 45 N -1.76 3.88 0.11 1.13 2.01 -1.26 -5.02 115.64 114.72 2e7m s THR 45 Ca -0.08 1.26 0.05 0.00 0.31 0.00 0.00 61.69 63.23 2e7m s THR 45 Cb 0.01 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2e7m s THR 45 CO 0.12 0.01 -0.13 0.28 -0.69 0.00 0.00 174.62 174.21 2e7m s THR 46 N 2.16 1.23 0.50 -0.82 -1.32 -1.26 -3.05 115.64 113.08 2e7m s THR 46 Ca 0.61 -1.62 0.08 0.00 -1.21 0.00 0.00 61.69 59.54 2e7m s THR 46 Cb -0.30 -1.42 0.04 0.00 -1.51 0.00 0.00 72.50 69.32 2e7m s THR 46 CO 0.26 -0.40 0.68 -0.31 -2.21 0.00 0.00 174.62 172.64 2e7m s TYR 47 N -2.01 2.27 -0.13 9.09 2.02 -1.26 -5.07 117.35 122.27 2e7m s TYR 47 Ca 0.06 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2e7m s TYR 47 Cb -0.06 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.10 2e7m s TYR 47 CO 0.02 -0.77 -0.04 -0.80 -1.57 0.00 0.00 175.55 172.39 2e7m s ASN 48 N -4.48 4.77 -0.36 2.29 0.01 -1.26 -5.07 114.94 110.84 2e7m s ASN 48 Ca 0.58 -0.08 -0.08 0.00 -0.71 0.00 0.00 52.86 52.56 2e7m s ASN 48 Cb -0.08 -1.60 0.04 0.00 0.41 0.00 0.00 41.25 40.01 2e7m s ASN 48 CO 0.36 0.24 0.16 -0.31 -1.51 0.00 0.00 177.10 176.03 2e7m s TYR 49 N -0.05 3.26 -0.31 2.20 2.02 -1.26 -4.01 117.35 119.20 2e7m s TYR 49 Ca 0.01 -1.26 0.02 0.00 -0.37 0.00 0.00 57.07 55.47 2e7m s TYR 49 Cb -0.13 -2.39 0.08 0.00 -0.40 0.00 0.00 41.96 39.12 2e7m s TYR 49 CO 0.03 -0.71 0.01 -2.00 -1.57 0.00 0.00 175.55 171.30 2e7m s GLU 50 N 1.46 1.97 0.33 -0.62 2.12 -1.17 -4.21 118.70 118.58 2e7m s GLU 50 Ca 0.00 -1.59 -0.09 0.00 0.36 0.00 0.00 54.97 53.65 2e7m s GLU 50 Cb -0.20 -3.14 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 2e7m s GLU 50 CO 0.04 -0.78 0.65 -1.58 -0.54 0.00 0.00 175.26 173.06 2e7m s TRP 51 N 1.06 3.45 0.01 5.30 0.52 0.94 -0.27 118.94 129.95 2e7m s TRP 51 Ca 0.01 0.90 -0.25 0.00 0.02 0.00 0.00 56.10 56.78 2e7m s TRP 51 Cb -0.20 -2.31 0.06 0.00 -1.15 0.00 0.00 33.47 29.87 2e7m s TRP 51 CO -0.05 0.08 0.58 -0.80 0.02 0.00 0.00 176.95 176.77 2e7m s ASN 52 N -2.92 -0.52 -0.38 2.95 0.01 -0.74 -4.05 114.94 109.29 2e7m s ASN 52 Ca 0.48 0.38 -0.09 0.00 -0.71 0.00 0.00 52.86 52.92 2e7m s ASN 52 Cb -0.11 0.51 0.05 0.00 0.41 0.00 0.00 41.25 42.11 2e7m s ASN 52 CO 0.27 -0.68 0.19 -0.22 -1.51 0.00 0.00 177.10 175.16 2e7m s LEU 53 N -1.67 4.73 -0.19 0.60 2.96 -1.26 -1.20 118.68 122.65 2e7m s LEU 53 Ca -0.08 -1.22 0.13 0.00 -0.22 0.00 0.00 54.13 52.75 2e7m s LEU 53 Cb -0.01 -1.96 -0.23 0.00 0.50 0.00 0.00 46.19 44.49 2e7m s LEU 53 CO 0.03 -0.42 0.08 2.30 -1.32 0.00 0.00 176.35 177.02 2e7m n ILE 54 N 4.90 1.45 -3.96 6.68 -0.00 -1.18 -4.88 119.36 122.38 2e7m n ILE 54 Ca -0.11 -0.78 -0.34 0.00 -0.00 0.00 0.00 62.75 61.51 2e7m n ILE 54 Cb 0.44 -0.77 -0.14 0.00 -0.00 0.00 0.00 39.64 39.17 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2e7m s SER 55 N -5.82 4.20 -0.14 7.28 0.15 -1.25 -5.01 113.70 113.11 2e7m s SER 55 Ca -0.15 -0.73 -0.22 0.00 0.70 0.00 0.00 55.95 55.54 2e7m s SER 55 Cb 0.07 -1.67 0.05 0.00 -1.71 0.00 0.00 66.02 62.77 2e7m s SER 55 CO 0.78 -0.09 0.56 -1.38 1.20 0.00 0.00 173.24 174.31 2e7m s HIS 56 N 1.36 -0.56 0.68 3.44 -3.43 -1.26 -1.69 115.29 113.83 2e7m s HIS 56 Ca 0.02 1.22 -0.14 0.00 -0.80 0.00 0.00 55.06 55.36 2e7m s HIS 56 Cb -0.16 0.25 0.01 0.00 -1.43 0.00 0.00 32.58 31.25 2e7m s HIS 56 CO -0.05 -0.40 1.11 -1.25 -2.00 0.00 0.00 174.74 172.15 2e7m s PRO 57 N -0.36 2.69 0.57 -0.38 0.04 -1.26 -4.93 135.00 131.39 2e7m s PRO 57 Ca -0.05 1.34 0.34 0.00 0.04 0.00 0.00 61.00 62.68 2e7m s PRO 57 Cb -0.03 -1.94 1.71 0.00 0.04 0.00 0.00 34.50 34.28 2e7m s PRO 57 CO 0.04 -1.33 2.13 0.00 0.04 0.00 0.00 177.00 177.88 2e7m h THR 58 N -0.20 0.23 0.00 1.26 1.03 -1.99 -1.86 112.91 111.37 2e7m h THR 58 Ca -0.46 -0.38 -0.05 0.00 -0.01 0.00 0.00 66.41 65.51 2e7m h THR 58 Cb 1.24 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 69.62 2e7m h THR 58 CO 0.54 0.05 -0.22 0.44 -0.01 0.00 0.00 175.52 176.32 2e7m h ASP 59 N 0.00 0.00 -2.78 0.00 3.32 -1.95 -3.42 116.42 111.59 2e7m h ASP 59 Ca -0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 2e7m h ASP 59 Cb 0.30 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 2e7m h ASP 59 CO 0.01 0.22 -0.51 -0.47 -1.72 0.00 0.00 179.24 176.77 2e7m s TYR 60 N -3.91 3.51 -0.09 4.55 5.04 -0.70 -5.03 117.35 120.72 2e7m s TYR 60 Ca -0.01 0.46 -0.15 0.00 -2.44 0.00 0.00 57.07 54.92 2e7m s TYR 60 Cb 0.12 -1.91 -0.12 0.00 0.35 0.00 0.00 41.96 40.40 2e7m s TYR 60 CO 0.63 0.68 0.52 1.96 -1.34 0.00 0.00 175.55 178.01 2e7m h GLN 61 N 4.98 -0.11 0.00 4.97 4.20 -1.83 -3.44 115.11 123.88 2e7m h GLN 61 Ca -0.54 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2e7m h GLN 61 Cb 1.22 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2e7m h GLN 61 CO 0.58 0.30 0.00 0.41 -0.67 0.00 0.00 178.83 179.45 2e7m n GLY 62 N 1.26 1.12 2.79 3.46 0.00 -1.26 -5.11 105.19 107.45 2e7m n GLY 62 Ca -0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 2e7m n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e7m s GLU 63 N -0.07 0.90 0.03 1.61 2.02 -1.26 -5.11 118.70 116.82 2e7m s GLU 63 Ca 0.00 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 2e7m s GLU 63 Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 2e7m s GLU 63 CO 0.00 -0.89 -0.02 0.42 0.02 0.00 0.00 175.26 174.80 2e7m s ILE 64 N 1.55 0.14 -0.38 -1.63 1.01 -1.26 -4.91 121.20 115.73 2e7m s ILE 64 Ca 0.06 -1.19 0.05 0.00 0.00 0.00 0.00 60.65 59.57 2e7m s ILE 64 Cb -0.18 -0.69 0.60 0.00 0.01 0.00 0.00 42.46 42.20 2e7m s ILE 64 CO -0.19 -0.66 1.73 0.29 0.00 0.00 0.00 174.94 176.12 2e7m n LYS 65 N 1.08 2.60 -1.98 2.79 4.76 -1.26 -4.88 118.16 121.28 2e7m n LYS 65 Ca -0.21 -2.59 -0.02 0.00 -2.87 0.00 0.00 58.31 52.62 2e7m n LYS 65 Cb 0.57 -2.04 -0.00 0.00 -1.84 0.00 0.00 35.03 31.72 2e7m n LYS 65 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e7m n GLN 66 N -0.57 -2.20 -2.04 1.97 6.02 -1.26 -3.29 117.38 116.02 2e7m n GLN 66 Ca 0.45 0.12 -0.01 0.00 -0.01 0.00 0.00 57.00 57.55 2e7m n GLN 66 Cb 1.40 -4.47 0.00 0.00 1.02 0.00 0.00 30.24 28.19 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 -0.37 0.01 0.00 1.08 0.00 -1.26 -0.04 105.19 104.60 2e7m n GLY 67 Ca -0.03 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 0.89 0.00 -4.27 1.61 8.25 -1.21 -4.00 115.22 116.48 2e7m n HIS 68 Ca -0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2e7m n HIS 68 Cb 0.29 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.15 1.30 0.00 -0.41 4.76 -1.26 -4.63 118.16 116.77 2e7m n LYS 69 Ca 0.07 -1.93 0.10 0.00 -2.87 0.00 0.00 58.31 53.68 2e7m n LYS 69 Cb 0.07 0.46 0.44 0.00 -1.84 0.00 0.00 35.03 34.17 2e7m n LYS 69 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2e7m n GLN 70 N -0.76 0.08 -4.88 1.97 7.27 -1.26 -4.63 117.38 115.17 2e7m n GLN 70 Ca -0.09 0.15 -0.26 0.00 0.07 0.00 0.00 57.00 56.86 2e7m n GLN 70 Cb 0.34 -1.50 -0.16 0.00 2.41 0.00 0.00 30.24 31.33 2e7m n GLN 70 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2e7m s THR 71 N -2.87 1.48 -0.24 1.69 -4.23 -1.26 -0.38 115.64 109.83 2e7m s THR 71 Ca 0.12 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 2e7m s THR 71 Cb 0.13 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.72 2e7m s THR 71 CO 0.34 0.42 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.57 2e7m s LEU 72 N -0.10 3.07 -0.17 4.79 0.20 -0.55 -4.73 118.68 121.19 2e7m s LEU 72 Ca -0.01 -0.66 -0.08 0.00 0.69 0.00 0.00 54.13 54.07 2e7m s LEU 72 Cb -0.11 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 2e7m s LEU 72 CO 0.02 -0.09 0.10 0.20 -0.29 0.00 0.00 176.35 176.29 2e7m s ASN 73 N 1.40 5.94 0.13 3.68 0.02 -1.26 -0.82 114.94 124.03 2e7m s ASN 73 Ca 0.03 0.20 0.06 0.00 -1.02 0.00 0.00 52.86 52.13 2e7m s ASN 73 Cb -0.16 -2.00 -0.04 0.00 0.02 0.00 0.00 41.25 39.08 2e7m s ASN 73 CO -0.04 0.22 0.02 -0.76 0.02 0.00 0.00 177.10 176.57 2e7m s LEU 74 N 0.08 3.47 0.05 0.60 2.01 -0.67 -4.90 118.68 119.32 2e7m s LEU 74 Ca 0.07 -0.25 -0.10 0.00 0.01 0.00 0.00 54.13 53.86 2e7m s LEU 74 Cb -0.12 -2.15 0.01 0.00 0.01 0.00 0.00 46.19 43.94 2e7m s LEU 74 CO -0.00 0.13 0.22 -0.94 1.01 0.00 0.00 176.35 176.77 2e7m s SER 75 N -2.68 0.01 -1.41 2.29 1.04 -1.26 -3.34 113.70 108.35 2e7m s SER 75 Ca 0.27 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.23 2e7m s SER 75 Cb -0.11 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.40 2e7m s SER 75 CO 0.19 -0.61 0.64 0.00 0.98 0.00 0.00 173.24 174.45 2e7m n GLN 76 N 0.51 -4.15 -1.42 4.02 6.02 -1.25 -4.93 117.38 116.18 2e7m n GLN 76 Ca -0.18 0.57 -0.31 0.00 -0.01 0.00 0.00 57.00 57.08 2e7m n GLN 76 Cb 0.60 -5.36 0.08 0.00 1.02 0.00 0.00 30.24 26.58 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 -6.74 2.91 0.39 1.08 1.43 -1.21 -5.08 118.68 111.46 2e7m s LEU 77 Ca 0.46 1.62 0.08 0.00 -1.03 0.00 0.00 54.13 55.25 2e7m s LEU 77 Cb -0.24 -4.34 -0.07 0.00 0.03 0.00 0.00 46.19 41.57 2e7m s LEU 77 CO 0.57 -1.86 -0.01 -0.44 0.23 0.00 0.00 176.35 174.84 2e7m s SER 78 N -3.64 3.88 -0.14 2.29 0.01 -1.26 -4.89 113.70 109.95 2e7m s SER 78 Ca 0.60 -1.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.27 2e7m s SER 78 Cb -0.16 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2e7m s SER 78 CO 0.55 -0.38 1.59 -0.69 0.41 0.00 0.00 173.24 174.72 2e7m s VAL 79 N -2.67 3.71 0.00 3.43 1.01 -1.26 -4.58 120.40 120.04 2e7m s VAL 79 Ca 0.35 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2e7m s VAL 79 Cb 0.07 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2e7m s VAL 79 CO 0.18 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2e7m n GLY 80 N 4.30 -0.67 3.74 4.51 0.00 -1.20 -4.95 105.19 110.91 2e7m n GLY 80 Ca 0.18 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 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 4.24 -0.06 0.99 2.96 -1.26 -2.35 118.68 123.20 2e7m s LEU 81 Ca 0.00 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2e7m s LEU 81 Cb 0.00 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.47 2e7m s LEU 81 CO 0.00 0.15 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.78 2e7m s TYR 82 N 0.33 1.19 -0.36 5.38 1.51 -0.51 -4.00 117.35 120.89 2e7m s TYR 82 Ca 0.13 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.72 2e7m s TYR 82 Cb -0.12 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 2e7m s TYR 82 CO 0.01 -0.24 0.13 0.08 -1.11 0.00 0.00 175.55 174.42 2e7m s VAL 83 N 0.76 3.65 -0.39 0.71 1.01 -0.68 -0.06 120.40 125.40 2e7m s VAL 83 Ca -0.13 -1.38 -0.17 0.00 0.00 0.00 0.00 61.98 60.29 2e7m s VAL 83 Cb -0.15 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.06 2e7m s VAL 83 CO 0.02 -0.32 0.46 -0.36 0.00 0.00 0.00 175.10 174.90 2e7m s PHE 84 N 1.34 3.17 -0.26 5.22 0.08 0.70 -3.08 117.98 125.14 2e7m s PHE 84 Ca 0.00 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 56.78 2e7m s PHE 84 Cb -0.21 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 2e7m s PHE 84 CO 0.01 -0.64 0.15 0.21 -0.10 0.00 0.00 175.22 174.85 2e7m s LYS 85 N 2.23 3.90 -0.30 0.44 2.20 -0.34 -2.52 119.74 125.35 2e7m s LYS 85 Ca 0.14 -0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.28 2e7m s LYS 85 Cb -0.16 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2e7m s LYS 85 CO 0.14 -0.13 0.21 0.54 -0.36 0.00 0.00 175.35 175.75 2e7m s VAL 86 N 1.56 5.30 -0.45 4.02 0.11 -1.15 -1.80 120.40 128.00 2e7m s VAL 86 Ca 0.07 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 2e7m s VAL 86 Cb -0.15 -3.59 0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2e7m s VAL 86 CO 0.08 0.17 0.36 -0.89 -3.33 0.00 0.00 175.10 171.49 2e7m s THR 87 N 1.76 5.23 -0.32 5.04 2.01 0.63 -1.50 115.64 128.49 2e7m s THR 87 Ca 0.07 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 2e7m s THR 87 Cb -0.16 -4.05 0.07 0.00 0.01 0.00 0.00 72.50 68.37 2e7m s THR 87 CO 0.11 -0.47 0.03 -0.69 -0.69 0.00 0.00 174.62 172.91 2e7m s VAL 88 N 1.70 2.85 0.08 3.82 1.01 0.12 -3.02 120.40 126.97 2e7m s VAL 88 Ca 0.05 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.40 2e7m s VAL 88 Cb -0.22 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2e7m s VAL 88 CO 0.08 -0.26 -0.08 -0.94 0.00 0.00 0.00 175.10 173.90 2e7m s SER 89 N 1.30 1.17 0.39 3.32 1.04 -1.26 0.19 113.70 119.86 2e7m s SER 89 Ca -0.01 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.63 2e7m s SER 89 Cb -0.20 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 2e7m s SER 89 CO -0.03 -0.33 0.13 -0.44 0.98 0.00 0.00 173.24 173.55 2e7m s SER 90 N -2.48 2.63 0.26 7.02 0.01 0.87 -4.41 113.70 117.60 2e7m s SER 90 Ca 0.04 -1.64 -0.04 0.00 1.31 0.00 0.00 55.95 55.62 2e7m s SER 90 Cb -0.01 0.45 0.52 0.00 0.21 0.00 0.00 66.02 67.18 2e7m s SER 90 CO -0.02 -0.91 1.64 1.05 0.41 0.00 0.00 173.24 175.41 2e7m h GLU 91 N 1.86 0.13 -0.34 12.44 4.11 -2.02 -1.71 114.58 129.06 2e7m h GLU 91 Ca -0.35 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 58.81 2e7m h GLU 91 Cb 1.27 -0.03 -0.23 0.00 0.50 0.00 0.00 28.75 30.26 2e7m h GLU 91 CO 0.57 0.09 -0.70 0.27 0.07 0.00 0.00 179.01 179.30 2e7m n ASN 92 N -5.31 3.00 -3.78 3.06 0.23 -1.26 -5.00 115.26 106.19 2e7m n ASN 92 Ca 0.16 -3.61 -0.10 0.00 -0.53 0.00 0.00 54.58 50.50 2e7m n ASN 92 Cb 0.53 -0.43 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2e7m s ALA 93 N -3.21 -0.55 -0.30 -2.53 0.00 -0.64 -0.61 121.76 113.92 2e7m s ALA 93 Ca 0.43 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 2e7m s ALA 93 Cb 0.39 0.69 0.15 0.00 0.00 0.00 0.00 23.12 24.34 2e7m s ALA 93 CO -0.03 -0.63 0.87 0.12 0.00 0.00 0.00 175.76 176.09 2e7m s PHE 94 N -3.86 -0.88 -0.28 0.00 5.36 -0.71 -0.09 117.98 117.52 2e7m s PHE 94 Ca 0.07 1.57 -0.22 0.00 -0.96 0.00 0.00 56.93 57.39 2e7m s PHE 94 Cb 0.03 0.53 0.10 0.00 -0.34 0.00 0.00 43.02 43.34 2e7m s PHE 94 CO -0.08 -0.44 0.87 0.20 -1.46 0.00 0.00 175.22 174.31 2e7m s GLY 95 N 2.33 -0.33 0.10 13.12 0.00 0.13 -1.96 107.32 120.70 2e7m s GLY 95 Ca -0.05 2.52 0.00 0.00 0.00 0.00 0.00 44.72 47.18 2e7m s GLY 95 CO -0.18 2.04 -0.02 -1.83 0.00 0.00 0.00 173.10 173.11 2e7m s GLU 96 N 0.71 0.80 0.41 2.90 4.04 -1.26 0.15 118.70 126.45 2e7m s GLU 96 Ca -0.02 -1.34 0.04 0.00 0.04 0.00 0.00 54.97 53.69 2e7m s GLU 96 Cb -0.05 0.05 -0.02 0.00 0.02 0.00 0.00 34.13 34.13 2e7m s GLU 96 CO -0.08 -0.12 0.13 0.20 -1.84 0.00 0.00 175.26 173.54 2e7m s GLY 97 N -3.01 2.62 -0.03 -3.83 0.00 -0.56 -4.28 107.32 98.23 2e7m s GLY 97 Ca 0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.63 2e7m s GLY 97 CO -0.04 -1.84 0.04 -1.36 0.00 0.00 0.00 173.10 169.90 2e7m s PHE 98 N -3.20 0.02 -0.02 1.90 0.40 -1.26 -2.93 117.98 112.89 2e7m s PHE 98 Ca 0.23 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 2e7m s PHE 98 Cb 0.03 -0.27 0.02 0.00 0.51 0.00 0.00 43.02 43.31 2e7m s PHE 98 CO 0.14 -0.11 0.01 0.54 0.70 0.00 0.00 175.22 176.50 2e7m s VAL 99 N 1.28 0.07 -0.01 -0.44 0.11 -1.05 -4.72 120.40 115.64 2e7m s VAL 99 Ca -0.07 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2e7m s VAL 99 Cb -0.13 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2e7m s VAL 99 CO -0.03 0.10 -0.04 0.20 -3.33 0.00 0.00 175.10 172.00 2e7m s ASN 100 N 0.80 4.85 -0.05 3.54 -0.87 -1.26 -0.21 114.94 121.74 2e7m s ASN 100 Ca -0.07 -0.07 0.02 0.00 -1.57 0.00 0.00 52.86 51.17 2e7m s ASN 100 Cb -0.10 -1.20 0.01 0.00 -0.02 0.00 0.00 41.25 39.94 2e7m s ASN 100 CO -0.02 0.29 -0.09 -0.69 -2.57 0.00 0.00 177.10 174.03 2e7m s VAL 101 N -1.01 0.84 -0.14 1.60 1.01 0.92 -2.55 120.40 121.07 2e7m s VAL 101 Ca 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2e7m s VAL 101 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2e7m s VAL 101 CO 0.08 0.28 -0.06 -0.89 0.00 0.00 0.00 175.10 174.51 2e7m s THR 102 N 0.64 3.70 -0.43 3.92 2.01 -0.40 -1.42 115.64 123.65 2e7m s THR 102 Ca -0.11 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 2e7m s THR 102 Cb -0.14 -2.59 0.10 0.00 0.01 0.00 0.00 72.50 69.88 2e7m s THR 102 CO 0.02 0.52 0.28 -0.69 -0.69 0.00 0.00 174.62 174.05 2e7m s VAL 103 N 0.15 4.02 0.46 3.82 1.01 -0.99 -1.10 120.40 127.77 2e7m s VAL 103 Ca -0.03 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 60.07 2e7m s VAL 103 Cb -0.14 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 2e7m s VAL 103 CO 0.03 -0.63 1.02 -0.54 0.00 0.00 0.00 175.10 174.98 2e7m s LYS 104 N 1.34 3.96 0.54 2.72 -0.14 0.74 -3.23 119.74 125.68 2e7m s LYS 104 Ca 0.05 1.33 -0.20 0.00 -1.36 0.00 0.00 55.97 55.79 2e7m s LYS 104 Cb -0.24 -2.19 -0.06 0.00 -1.68 0.00 0.00 37.83 33.66 2e7m s LYS 104 CO -0.00 -0.29 1.13 -1.25 -0.76 0.00 0.00 175.35 174.18 2e7m s PRO 105 N -3.09 3.37 -0.31 -1.68 0.04 -1.26 -2.21 135.00 129.85 2e7m s PRO 105 Ca 0.65 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 63.00 2e7m s PRO 105 Cb -0.16 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 2e7m s PRO 105 CO 0.20 -0.84 2.26 0.00 0.04 0.00 0.00 177.00 178.66 2e7m n ALA 106 N -1.28 1.43 -2.06 8.56 0.00 -1.26 -4.47 120.51 121.43 2e7m n ALA 106 Ca 0.12 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2e7m n ALA 106 Cb 0.51 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 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 6.70 4.26 -0.28 0.00 0.52 -1.26 -4.99 118.95 123.90 2e7m s ARG 107 Ca 1.04 2.20 -0.23 0.00 -0.52 0.00 0.00 55.73 58.21 2e7m s ARG 107 Cb -0.46 -3.32 0.11 0.00 0.52 0.00 0.00 34.95 31.80 2e7m s ARG 107 CO 0.38 -0.56 0.92 -1.12 0.02 0.00 0.00 175.30 174.94 2e7m s SER 108 N 1.43 -0.57 0.80 0.23 0.01 -1.26 -5.09 113.70 109.25 2e7m s SER 108 Ca 0.68 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.99 2e7m s SER 108 Cb -0.39 1.10 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2e7m s SER 108 CO 0.30 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2e7m n GLY 109 N 2.70 0.63 3.58 3.44 0.00 -1.26 -4.53 105.19 109.75 2e7m n GLY 109 Ca -0.14 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2e7m n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7m s PRO 110 N 0.00 3.07 0.98 1.61 0.04 -1.26 -4.97 135.00 134.48 2e7m s PRO 110 Ca 0.00 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 2e7m s PRO 110 Cb 0.00 -4.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.24 2e7m s PRO 110 CO 0.00 -2.18 -0.18 -1.13 0.04 0.00 0.00 177.00 173.54 2e7m n SER 111 N 11.10 -3.79 -0.04 6.66 3.41 -1.26 -4.93 113.62 124.76 2e7m n SER 111 Ca 0.21 0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 2e7m n SER 111 Cb 0.49 -0.99 -0.11 0.00 -0.26 0.00 0.00 64.21 63.34 2e7m n SER 111 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2e7m h SER 112 N -1.33 -0.01 0.00 4.04 0.87 -1.94 -3.53 113.55 111.65 2e7m h SER 112 Ca -0.44 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.35 2e7m h SER 112 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2e7m h SER 112 CO 0.29 0.78 0.00 0.61 -0.53 0.00 0.00 176.83 177.99