#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7m h SER 2 N 0.00 -0.24 0.66 1.61 0.87 -2.13 -3.37 113.55 110.95 2e7m h SER 2 Ca 0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2e7m h SER 2 Cb 0.00 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2e7m h SER 2 CO 0.00 0.13 -0.38 0.28 -0.53 0.00 0.00 176.83 176.33 2e7m h SER 3 N -0.88 -0.93 -3.44 6.23 0.02 -2.14 -3.49 113.55 108.92 2e7m h SER 3 Ca -0.03 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2e7m h SER 3 Cb 0.22 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2e7m h SER 3 CO 0.05 -0.60 -0.08 0.61 -1.14 0.00 0.00 176.83 175.66 2e7m n GLY 4 N -1.52 -3.69 3.88 -3.77 0.00 -1.26 -5.02 105.19 93.80 2e7m n GLY 4 Ca -0.13 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2e7m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7m s SER 5 N -0.41 6.54 -0.17 1.61 0.01 -1.26 -5.03 113.70 114.99 2e7m s SER 5 Ca 0.00 1.03 -0.25 0.00 1.31 0.00 0.00 55.95 58.04 2e7m s SER 5 Cb 0.00 -2.28 -0.22 0.00 0.21 0.00 0.00 66.02 63.73 2e7m s SER 5 CO 0.00 -0.30 0.50 -1.28 0.41 0.00 0.00 173.24 172.57 2e7m h SER 6 N 1.58 0.00 -6.38 2.44 0.87 -2.06 -3.49 113.55 106.50 2e7m h SER 6 Ca -0.47 -0.76 -0.24 0.00 -1.23 0.00 0.00 61.79 59.09 2e7m h SER 6 Cb 1.18 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2e7m h SER 6 CO 0.65 1.21 -1.10 0.61 -0.53 0.00 0.00 176.83 177.67 2e7m n GLY 7 N 1.53 -0.12 3.56 5.77 0.00 -1.26 -4.73 105.19 109.94 2e7m n GLY 7 Ca -0.20 0.79 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.99 2.59 -0.22 1.61 0.04 -1.26 -4.95 135.00 130.82 2e7m s PRO 8 Ca 0.25 0.11 -0.04 0.00 0.04 0.00 0.00 61.00 61.35 2e7m s PRO 8 Cb -0.03 -4.76 -0.01 0.00 0.04 0.00 0.00 34.50 29.74 2e7m s PRO 8 CO 0.60 -3.09 -0.03 -0.98 0.04 0.00 0.00 177.00 173.54 2e7m s ARG 9 N 7.02 3.44 0.21 4.56 1.70 -1.26 -5.10 118.95 129.51 2e7m s ARG 9 Ca 0.69 -0.60 0.11 0.00 -0.47 0.00 0.00 55.73 55.46 2e7m s ARG 9 Cb -0.09 -3.05 -0.05 0.00 -0.57 0.00 0.00 34.95 31.19 2e7m s ARG 9 CO 0.09 -0.17 -0.22 0.95 -1.08 0.00 0.00 175.30 174.87 2e7m s THR 10 N 1.43 2.28 0.29 4.99 -4.23 -1.26 -5.15 115.64 113.98 2e7m s THR 10 Ca 0.05 -2.11 0.08 0.00 -1.18 0.00 0.00 61.69 58.53 2e7m s THR 10 Cb -0.14 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2e7m s THR 10 CO -0.02 -0.23 0.16 0.68 -0.54 0.00 0.00 174.62 174.68 2e7m s VAL 11 N -1.97 3.81 0.51 2.29 -7.23 -1.26 -4.88 120.40 111.66 2e7m s VAL 11 Ca 0.22 -1.55 -0.15 0.00 -1.81 0.00 0.00 61.98 58.69 2e7m s VAL 11 Cb -0.07 -3.17 -0.07 0.00 0.56 0.00 0.00 36.38 33.64 2e7m s VAL 11 CO 0.10 -0.29 0.95 -0.54 -0.31 0.00 0.00 175.10 175.01 2e7m s LYS 12 N -3.84 3.87 -0.63 4.82 1.02 0.82 -4.85 119.74 120.95 2e7m s LYS 12 Ca 0.35 0.83 -0.15 0.00 0.02 0.00 0.00 55.97 57.02 2e7m s LYS 12 Cb -0.06 -2.18 0.16 0.00 -0.52 0.00 0.00 37.83 35.23 2e7m s LYS 12 CO 0.24 -0.26 0.58 -1.83 -0.92 0.00 0.00 175.35 173.15 2e7m s GLU 13 N -4.17 3.15 -0.03 1.68 -1.05 -1.26 -1.94 118.70 115.07 2e7m s GLU 13 Ca 0.57 -1.97 -0.24 0.00 -0.15 0.00 0.00 54.97 53.18 2e7m s GLU 13 Cb -0.10 -4.31 -0.04 0.00 -0.44 0.00 0.00 34.13 29.24 2e7m s GLU 13 CO 0.34 -1.31 0.72 -0.51 0.95 0.00 0.00 175.26 175.45 2e7m s LEU 14 N 1.10 4.36 -0.85 1.83 1.43 -1.20 -4.85 118.68 120.50 2e7m s LEU 14 Ca 0.08 1.27 -0.22 0.00 -1.03 0.00 0.00 54.13 54.22 2e7m s LEU 14 Cb -0.23 -3.12 0.07 0.00 0.03 0.00 0.00 46.19 42.94 2e7m s LEU 14 CO -0.01 -0.07 1.21 -0.89 0.23 0.00 0.00 176.35 176.82 2e7m s THR 15 N 0.51 4.20 -0.36 5.49 2.01 0.10 -4.48 115.64 123.11 2e7m s THR 15 Ca 0.38 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.51 2e7m s THR 15 Cb -0.19 -4.86 0.00 0.00 0.01 0.00 0.00 72.50 67.47 2e7m s THR 15 CO 0.20 -1.69 0.67 -0.69 -0.69 0.00 0.00 174.62 172.42 2e7m s VAL 16 N 4.27 4.85 -0.05 3.82 1.01 -1.26 -2.26 120.40 130.79 2e7m s VAL 16 Ca 0.34 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 2e7m s VAL 16 Cb -0.07 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2e7m s VAL 16 CO 0.00 -0.34 0.02 -0.55 0.00 0.00 0.00 175.10 174.23 2e7m s SER 17 N 1.80 1.25 0.14 3.32 0.15 -0.32 -3.84 113.70 116.22 2e7m s SER 17 Ca 0.26 -0.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 2e7m s SER 17 Cb -0.14 -0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 63.82 2e7m s SER 17 CO 0.15 -0.20 1.36 0.00 1.20 0.00 0.00 173.24 175.75 2e7m h ALA 18 N 8.21 0.44 0.00 5.45 0.00 -1.85 0.80 119.26 132.31 2e7m h ALA 18 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2e7m h ALA 18 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2e7m h ALA 18 CO 0.25 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.66 2e7m n GLY 19 N 0.72 0.30 3.76 0.00 0.00 -1.26 -4.35 105.19 104.35 2e7m n GLY 19 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.75 -0.03 0.18 1.61 2.15 -1.26 -5.14 116.67 110.43 2e7m s ASP 20 Ca 0.00 -0.19 -0.32 0.00 0.43 0.00 0.00 52.55 52.47 2e7m s ASP 20 Cb 0.00 0.18 -0.10 0.00 -0.30 0.00 0.00 42.92 42.69 2e7m s ASP 20 CO 0.00 -0.34 1.59 0.54 -0.17 0.00 0.00 175.17 176.79 2e7m s ASN 21 N -3.28 6.56 0.04 -0.34 2.20 -1.26 -4.70 114.94 114.16 2e7m s ASN 21 Ca 0.20 2.66 0.05 0.00 -0.94 0.00 0.00 52.86 54.83 2e7m s ASN 21 Cb 0.03 -2.60 -0.04 0.00 -2.00 0.00 0.00 41.25 36.64 2e7m s ASN 21 CO -0.02 -0.84 -0.08 -0.76 -2.94 0.00 0.00 177.10 172.45 2e7m s LEU 22 N 1.07 3.09 -0.08 3.54 2.01 -0.80 -5.03 118.68 122.48 2e7m s LEU 22 Ca 0.70 -0.25 -0.00 0.00 0.01 0.00 0.00 54.13 54.59 2e7m s LEU 22 Cb -0.45 -1.82 0.02 0.00 0.01 0.00 0.00 46.19 43.96 2e7m s LEU 22 CO 0.32 0.24 -0.04 -0.63 1.01 0.00 0.00 176.35 177.25 2e7m s ILE 23 N -1.08 0.65 0.35 -0.59 1.01 -1.26 -1.03 121.20 119.25 2e7m s ILE 23 Ca 0.19 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.83 2e7m s ILE 23 Cb -0.11 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2e7m s ILE 23 CO 0.10 0.29 0.13 0.27 0.00 0.00 0.00 174.94 175.73 2e7m s ILE 24 N 1.56 2.92 -0.04 2.92 -4.36 -0.58 -4.98 121.20 118.63 2e7m s ILE 24 Ca -0.00 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 2e7m s ILE 24 Cb -0.13 -2.96 0.02 0.00 1.25 0.00 0.00 42.46 40.64 2e7m s ILE 24 CO -0.04 -0.17 -0.04 -0.89 0.24 0.00 0.00 174.94 174.04 2e7m s THR 25 N -2.45 0.52 0.81 8.37 2.01 -1.26 -0.05 115.64 123.60 2e7m s THR 25 Ca 0.38 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 2e7m s THR 25 Cb -0.02 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 2e7m s THR 25 CO 0.22 0.22 0.48 0.18 -0.69 0.00 0.00 174.62 175.04 2e7m n LEU 26 N 4.04 0.45 0.24 4.42 4.77 -1.01 -2.41 117.00 127.51 2e7m n LEU 26 Ca -0.25 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2e7m n LEU 26 Cb 0.51 -1.21 0.57 0.00 -2.33 0.00 0.00 43.42 40.95 2e7m n LEU 26 CO 0.23 -3.30 0.88 1.55 -1.33 0.00 0.00 177.39 175.42 2e7m h PRO 27 N -0.81 0.00 -5.27 3.23 0.13 -1.97 -3.43 132.00 123.89 2e7m h PRO 27 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2e7m h PRO 27 Cb 1.32 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 2e7m h PRO 27 CO 0.39 0.16 1.65 -0.25 -0.23 0.00 0.00 178.00 179.73 2e7m n ASP 28 N -3.37 0.55 -0.37 1.44 8.00 -1.01 -4.73 116.55 117.05 2e7m n ASP 28 Ca -0.00 0.25 0.08 0.00 0.71 0.00 0.00 54.79 55.83 2e7m n ASP 28 Cb 0.36 -0.96 0.18 0.00 -0.02 0.00 0.00 41.12 40.68 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 10.16 2.17 -4.20 -2.24 0.23 -1.26 -4.00 115.26 116.11 2e7m n ASN 29 Ca 0.61 -3.45 -0.30 0.00 -0.53 0.00 0.00 54.58 50.91 2e7m n ASN 29 Cb 0.05 -0.49 -0.17 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 -3.04 2.63 0.01 -3.83 2.02 -1.26 -2.47 118.70 112.77 2e7m s GLU 30 Ca 0.35 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.55 2e7m s GLU 30 Cb 0.32 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 2e7m s GLU 30 CO -0.01 0.22 -0.05 0.54 0.02 0.00 0.00 175.26 175.98 2e7m s VAL 31 N 0.21 0.39 -0.28 2.63 0.11 -1.19 -4.95 120.40 117.32 2e7m s VAL 31 Ca -0.13 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 2e7m s VAL 31 Cb -0.16 -0.38 0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2e7m s VAL 31 CO 0.06 -0.04 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.08 2e7m s GLU 32 N -0.52 2.61 -0.07 1.54 2.12 -1.26 -1.39 118.70 121.73 2e7m s GLU 32 Ca -0.02 -1.14 -0.04 0.00 0.36 0.00 0.00 54.97 54.13 2e7m s GLU 32 Cb -0.04 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2e7m s GLU 32 CO -0.00 -0.54 0.11 -0.51 -0.54 0.00 0.00 175.26 173.78 2e7m s LEU 33 N 1.30 4.15 -0.03 2.70 1.43 0.14 -4.94 118.68 123.43 2e7m s LEU 33 Ca -0.03 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 2e7m s LEU 33 Cb -0.19 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2e7m s LEU 33 CO -0.02 0.35 -0.21 -0.75 0.23 0.00 0.00 176.35 175.95 2e7m s LYS 34 N -1.33 1.82 -0.18 1.70 2.20 -1.26 -0.63 119.74 122.06 2e7m s LYS 34 Ca 0.19 -0.75 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 2e7m s LYS 34 Cb -0.12 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.46 2e7m s LYS 34 CO 0.09 0.41 0.07 0.00 -0.36 0.00 0.00 175.35 175.56 2e7m s ALA 35 N -0.37 3.46 -0.22 3.13 0.00 -0.68 -4.17 121.76 122.91 2e7m s ALA 35 Ca 0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2e7m s ALA 35 Cb -0.09 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 2e7m s ALA 35 CO 0.00 0.18 -0.00 -0.06 0.00 0.00 0.00 175.76 175.88 2e7m s PHE 36 N 0.35 3.02 -0.26 0.00 0.08 0.27 -4.95 117.98 116.49 2e7m s PHE 36 Ca 0.04 -0.62 -0.05 0.00 0.12 0.00 0.00 56.93 56.41 2e7m s PHE 36 Cb -0.12 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 2e7m s PHE 36 CO -0.00 -0.38 0.02 0.08 -0.10 0.00 0.00 175.22 174.84 2e7m s VAL 37 N 1.31 3.69 -0.10 -0.44 1.01 -1.26 -1.17 120.40 123.44 2e7m s VAL 37 Ca 0.04 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2e7m s VAL 37 Cb -0.15 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 2e7m s VAL 37 CO 0.01 0.23 -0.22 0.00 0.00 0.00 0.00 175.10 175.11 2e7m s ALA 38 N 1.48 2.26 0.79 5.51 0.00 -0.96 -2.27 121.76 128.57 2e7m s ALA 38 Ca 0.04 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 2e7m s ALA 38 Cb -0.16 -0.86 0.07 0.00 0.00 0.00 0.00 23.12 22.16 2e7m s ALA 38 CO 0.00 0.31 1.09 -1.25 0.00 0.00 0.00 175.76 175.91 2e7m s PRO 39 N 0.25 2.13 0.35 0.00 0.04 -1.26 -0.72 135.00 135.78 2e7m s PRO 39 Ca -0.15 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.76 2e7m s PRO 39 Cb -0.17 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2e7m s PRO 39 CO 0.08 -1.72 1.04 0.00 0.04 0.00 0.00 177.00 176.43 2e7m s ALA 40 N -2.91 3.21 0.61 8.56 0.00 -0.96 -4.95 121.76 125.32 2e7m s ALA 40 Ca 0.61 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 2e7m s ALA 40 Cb -0.17 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2e7m s ALA 40 CO 0.56 -0.11 1.12 -1.25 0.00 0.00 0.00 175.76 176.08 2e7m s PRO 41 N -2.06 3.04 0.00 0.00 0.04 -1.26 -5.05 135.00 129.71 2e7m s PRO 41 Ca 0.52 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2e7m s PRO 41 Cb -0.24 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2e7m s PRO 41 CO 0.31 -1.07 0.00 -0.35 0.04 0.00 0.00 177.00 175.92 2e7m n PRO 42 N -1.92 -0.72 0.15 0.56 -0.04 -1.21 -4.95 135.00 126.86 2e7m n PRO 42 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2e7m n PRO 42 Cb 0.51 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.07 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 -1.36 0.94 0.00 0.52 3.04 -2.05 -3.39 116.25 113.94 2e7m h VAL 43 Ca 0.00 -2.15 0.00 0.00 -1.01 0.00 0.00 66.70 63.54 2e7m h VAL 43 Cb 0.00 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 2e7m h VAL 43 CO 0.00 0.50 0.00 -0.62 -1.01 0.00 0.00 177.57 176.44 2e7m n GLU 44 N -3.31 0.00 -2.09 4.17 -0.58 -1.26 -4.91 120.64 112.66 2e7m n GLU 44 Ca 0.01 0.24 -0.42 0.00 -0.42 0.00 0.00 57.16 56.58 2e7m n GLU 44 Cb 0.70 -0.73 -0.03 0.00 -0.57 0.00 0.00 31.44 30.81 2e7m n GLU 44 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2e7m s THR 45 N -0.94 2.98 -0.05 2.62 2.01 -1.26 -5.02 115.64 115.98 2e7m s THR 45 Ca 0.00 0.75 0.02 0.00 0.31 0.00 0.00 61.69 62.77 2e7m s THR 45 Cb 0.00 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.05 2e7m s THR 45 CO 0.00 0.09 -0.07 0.42 -0.69 0.00 0.00 174.62 174.36 2e7m s THR 46 N 0.62 0.74 0.74 -0.82 -4.23 -1.26 -3.36 115.64 108.06 2e7m s THR 46 Ca 0.63 -0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2e7m s THR 46 Cb -0.39 -0.71 0.04 0.00 1.34 0.00 0.00 72.50 72.77 2e7m s THR 46 CO 0.35 0.26 1.08 -0.31 -0.54 0.00 0.00 174.62 175.46 2e7m s TYR 47 N 0.69 2.88 -0.15 3.99 2.02 -1.26 -5.04 117.35 120.47 2e7m s TYR 47 Ca -0.11 1.43 -0.06 0.00 -0.37 0.00 0.00 57.07 57.96 2e7m s TYR 47 Cb -0.14 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 2e7m s TYR 47 CO 0.01 -1.52 0.06 -0.80 -1.57 0.00 0.00 175.55 171.73 2e7m s ASN 48 N -3.66 5.63 -0.37 2.29 -0.87 -1.26 -5.04 114.94 111.66 2e7m s ASN 48 Ca 0.60 0.14 -0.08 0.00 -1.57 0.00 0.00 52.86 51.94 2e7m s ASN 48 Cb -0.15 -1.88 0.05 0.00 -0.02 0.00 0.00 41.25 39.25 2e7m s ASN 48 CO 0.55 0.25 0.18 -0.31 -2.57 0.00 0.00 177.10 175.19 2e7m s TYR 49 N -0.06 3.28 -0.35 2.20 2.02 -1.26 -4.08 117.35 119.10 2e7m s TYR 49 Ca 0.06 -1.36 -0.02 0.00 -0.37 0.00 0.00 57.07 55.38 2e7m s TYR 49 Cb -0.12 -2.53 0.08 0.00 -0.40 0.00 0.00 41.96 38.99 2e7m s TYR 49 CO 0.01 -0.75 0.09 -2.00 -1.57 0.00 0.00 175.55 171.33 2e7m s GLU 50 N 1.44 2.19 0.31 -0.62 2.12 -1.13 -4.23 118.70 118.77 2e7m s GLU 50 Ca 0.01 -1.53 -0.10 0.00 0.36 0.00 0.00 54.97 53.70 2e7m s GLU 50 Cb -0.20 -3.35 -0.07 0.00 0.26 0.00 0.00 34.13 30.76 2e7m s GLU 50 CO 0.03 -0.83 0.66 -1.58 -0.54 0.00 0.00 175.26 173.01 2e7m s TRP 51 N 1.18 3.43 -0.13 5.30 0.52 0.86 -0.35 118.94 129.75 2e7m s TRP 51 Ca 0.02 0.97 -0.25 0.00 0.02 0.00 0.00 56.10 56.85 2e7m s TRP 51 Cb -0.21 -2.35 0.06 0.00 -1.15 0.00 0.00 33.47 29.82 2e7m s TRP 51 CO -0.03 0.10 0.62 -0.80 0.02 0.00 0.00 176.95 176.87 2e7m s ASN 52 N -2.70 -0.61 -0.34 2.95 0.01 -0.97 -4.05 114.94 109.23 2e7m s ASN 52 Ca 0.50 0.89 -0.14 0.00 -0.71 0.00 0.00 52.86 53.39 2e7m s ASN 52 Cb -0.11 0.84 -0.02 0.00 0.41 0.00 0.00 41.25 42.38 2e7m s ASN 52 CO 0.25 -0.43 0.31 -0.22 -1.51 0.00 0.00 177.10 175.50 2e7m s LEU 53 N -0.55 4.45 -0.05 0.60 2.96 -1.26 -0.66 118.68 124.16 2e7m s LEU 53 Ca -0.07 -0.29 0.12 0.00 -0.22 0.00 0.00 54.13 53.68 2e7m s LEU 53 Cb -0.03 -2.26 -0.18 0.00 0.50 0.00 0.00 46.19 44.22 2e7m s LEU 53 CO 0.05 -0.29 0.20 2.30 -1.32 0.00 0.00 176.35 177.29 2e7m n ILE 54 N 5.19 0.28 -4.04 6.68 -0.00 -1.11 -4.93 119.36 121.43 2e7m n ILE 54 Ca -0.10 -0.37 -0.31 0.00 -0.00 0.00 0.00 62.75 61.97 2e7m n ILE 54 Cb 0.50 -0.10 -0.16 0.00 -0.00 0.00 0.00 39.64 39.87 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 -3.81 3.12 -0.19 7.28 0.15 -1.21 -5.01 113.70 114.02 2e7m s SER 55 Ca -0.05 -0.71 -0.27 0.00 0.70 0.00 0.00 55.95 55.62 2e7m s SER 55 Cb 0.07 -1.28 0.07 0.00 -1.71 0.00 0.00 66.02 63.17 2e7m s SER 55 CO 0.52 -0.08 0.71 -1.38 1.20 0.00 0.00 173.24 174.21 2e7m s HIS 56 N 1.39 -0.73 1.01 3.44 -3.43 -1.25 -1.49 115.29 114.22 2e7m s HIS 56 Ca 0.02 1.61 -0.12 0.00 -0.80 0.00 0.00 55.06 55.77 2e7m s HIS 56 Cb -0.14 0.33 0.19 0.00 -1.43 0.00 0.00 32.58 31.53 2e7m s HIS 56 CO -0.10 -0.46 1.09 -1.25 -2.00 0.00 0.00 174.74 172.02 2e7m s PRO 57 N -0.22 0.34 0.31 -0.38 0.04 -1.25 -4.96 135.00 128.88 2e7m s PRO 57 Ca -0.04 0.49 0.16 0.00 0.04 0.00 0.00 61.00 61.65 2e7m s PRO 57 Cb -0.03 -1.73 0.41 0.00 0.04 0.00 0.00 34.50 33.19 2e7m s PRO 57 CO 0.04 -2.79 1.61 0.00 0.04 0.00 0.00 177.00 175.90 2e7m h THR 58 N -1.93 1.04 -0.24 1.26 1.03 -2.00 -3.11 112.91 108.95 2e7m h THR 58 Ca -0.55 -1.95 -0.03 0.00 -0.01 0.00 0.00 66.41 63.87 2e7m h THR 58 Cb 1.33 2.16 -0.01 0.00 -1.07 0.00 0.00 68.15 70.56 2e7m h THR 58 CO 0.58 0.49 0.02 0.44 -0.01 0.00 0.00 175.52 177.04 2e7m h ASP 59 N 0.00 0.32 -3.13 0.00 3.32 -1.98 -3.42 116.42 111.53 2e7m h ASP 59 Ca -0.00 -0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.46 2e7m h ASP 59 Cb 1.12 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2e7m h ASP 59 CO 0.06 0.37 -0.23 -0.47 -1.72 0.00 0.00 179.24 177.25 2e7m s TYR 60 N -5.03 3.47 -0.23 4.55 5.04 -1.18 -5.04 117.35 118.95 2e7m s TYR 60 Ca -0.07 0.57 -0.18 0.00 -2.44 0.00 0.00 57.07 54.95 2e7m s TYR 60 Cb 0.16 -2.03 -0.15 0.00 0.35 0.00 0.00 41.96 40.29 2e7m s TYR 60 CO 0.73 0.31 -0.04 1.04 -1.34 0.00 0.00 175.55 176.24 2e7m n GLN 61 N -0.50 0.56 0.00 4.97 1.13 -1.26 -4.80 117.38 117.48 2e7m n GLN 61 Ca -0.02 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 2e7m n GLN 61 Cb 0.53 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.24 2e7m n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2e7m n GLY 62 N 1.38 0.78 2.95 1.08 0.00 -1.26 -5.10 105.19 105.02 2e7m n GLY 62 Ca -0.38 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.22 1.45 0.03 1.61 8.01 -1.26 -5.09 118.70 123.23 2e7m s GLU 63 Ca 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 54.97 53.08 2e7m s GLU 63 Cb 0.00 -3.02 -0.03 0.00 -4.31 0.00 0.00 34.13 26.78 2e7m s GLU 63 CO 0.00 -0.99 -0.04 0.42 0.01 0.00 0.00 175.26 174.67 2e7m s ILE 64 N 0.77 0.19 -0.38 -1.63 1.01 -1.26 -4.97 121.20 114.93 2e7m s ILE 64 Ca 0.12 -1.16 0.07 0.00 0.00 0.00 0.00 60.65 59.68 2e7m s ILE 64 Cb -0.20 -0.62 0.71 0.00 0.01 0.00 0.00 42.46 42.36 2e7m s ILE 64 CO -0.09 -0.61 1.85 0.29 0.00 0.00 0.00 174.94 176.38 2e7m n LYS 65 N 1.20 3.08 -1.88 2.79 5.02 -1.26 -4.88 118.16 122.23 2e7m n LYS 65 Ca -0.21 -3.01 -0.11 0.00 -2.02 0.00 0.00 58.31 52.96 2e7m n LYS 65 Cb 0.57 -2.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 2e7m n LYS 65 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2e7m n GLN 66 N -0.56 -1.78 -2.32 1.97 6.02 -1.26 -3.50 117.38 115.95 2e7m n GLN 66 Ca 0.49 0.59 -0.12 0.00 -0.01 0.00 0.00 57.00 57.95 2e7m n GLN 66 Cb 1.51 -4.98 0.01 0.00 1.02 0.00 0.00 30.24 27.80 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 -0.49 0.06 0.00 1.08 0.00 -1.26 -0.10 105.19 104.48 2e7m n GLY 67 Ca -0.12 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 0.43 0.00 -3.85 1.61 -0.00 -1.23 -4.13 115.22 108.05 2e7m n HIS 68 Ca -0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.47 2e7m n HIS 68 Cb 0.36 -0.38 -0.00 0.00 -0.00 0.00 0.00 29.99 29.97 2e7m n HIS 68 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2e7m n LYS 69 N -1.38 0.82 0.25 -0.41 4.76 -1.26 -4.57 118.16 116.37 2e7m n LYS 69 Ca 0.02 -2.87 0.15 0.00 -2.87 0.00 0.00 58.31 52.74 2e7m n LYS 69 Cb 0.04 0.33 0.48 0.00 -1.84 0.00 0.00 35.03 34.04 2e7m n LYS 69 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2e7m h GLN 70 N 0.00 0.00 -5.56 1.97 4.15 -1.88 -3.43 115.11 110.37 2e7m h GLN 70 Ca -0.29 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.45 2e7m h GLN 70 Cb 1.06 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.45 2e7m h GLN 70 CO 0.46 0.02 -0.84 0.95 -1.93 0.00 0.00 178.83 177.49 2e7m s THR 71 N -3.49 2.44 -0.12 2.39 -4.23 -1.26 -1.68 115.64 109.68 2e7m s THR 71 Ca 0.03 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2e7m s THR 71 Cb 0.08 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2e7m s THR 71 CO 0.60 0.55 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.87 2e7m s LEU 72 N 0.15 2.69 -0.05 4.79 2.96 0.20 -4.86 118.68 124.56 2e7m s LEU 72 Ca -0.11 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2e7m s LEU 72 Cb -0.16 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2e7m s LEU 72 CO 0.06 0.18 -0.13 0.20 -1.32 0.00 0.00 176.35 175.34 2e7m s ASN 73 N 0.24 4.11 0.18 3.68 -0.87 -1.26 -0.68 114.94 120.34 2e7m s ASN 73 Ca -0.09 -0.18 0.09 0.00 -1.57 0.00 0.00 52.86 51.11 2e7m s ASN 73 Cb -0.15 -0.89 -0.04 0.00 -0.02 0.00 0.00 41.25 40.15 2e7m s ASN 73 CO 0.05 0.34 -0.10 -0.76 -2.57 0.00 0.00 177.10 174.06 2e7m s LEU 74 N -0.78 2.94 0.08 0.60 2.01 -0.49 -4.96 118.68 118.07 2e7m s LEU 74 Ca 0.12 -0.59 -0.06 0.00 0.01 0.00 0.00 54.13 53.61 2e7m s LEU 74 Cb -0.11 -1.63 -0.01 0.00 0.01 0.00 0.00 46.19 44.45 2e7m s LEU 74 CO 0.01 0.11 0.12 -0.94 1.01 0.00 0.00 176.35 176.65 2e7m s SER 75 N -2.81 0.24 -1.17 2.29 1.04 -1.26 -3.16 113.70 108.87 2e7m s SER 75 Ca 0.25 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 55.86 2e7m s SER 75 Cb -0.09 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.36 2e7m s SER 75 CO 0.15 -0.68 0.31 0.00 0.98 0.00 0.00 173.24 173.99 2e7m n GLN 76 N 0.00 -3.06 -2.37 4.02 6.02 -1.24 -4.89 117.38 115.86 2e7m n GLN 76 Ca -0.15 0.52 -0.41 0.00 -0.01 0.00 0.00 57.00 56.96 2e7m n GLN 76 Cb 0.62 -5.20 -0.04 0.00 1.02 0.00 0.00 30.24 26.65 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 -6.13 4.48 0.22 1.08 1.43 -1.03 -5.04 118.68 113.68 2e7m s LEU 77 Ca 0.24 2.31 0.05 0.00 -1.03 0.00 0.00 54.13 55.70 2e7m s LEU 77 Cb -0.12 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2e7m s LEU 77 CO 0.29 -0.32 0.27 -0.44 0.23 0.00 0.00 176.35 176.38 2e7m s SER 78 N -0.30 5.98 -0.31 2.29 0.01 -1.26 -4.72 113.70 115.40 2e7m s SER 78 Ca 0.49 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 57.43 2e7m s SER 78 Cb -0.33 -1.68 -0.07 0.00 0.21 0.00 0.00 66.02 64.15 2e7m s SER 78 CO 0.40 -0.02 2.27 0.55 0.41 0.00 0.00 173.24 176.85 2e7m n VAL 79 N -1.04 0.23 0.00 3.43 3.14 -1.26 -4.65 118.33 118.17 2e7m n VAL 79 Ca -0.08 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 2e7m n VAL 79 Cb 0.56 -2.42 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 5.97 -0.43 3.60 7.55 0.00 -1.17 -4.94 105.19 115.78 2e7m n GLY 80 Ca 0.34 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 4.12 -0.19 0.99 2.96 -1.26 -2.49 118.68 122.81 2e7m s LEU 81 Ca 0.00 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2e7m s LEU 81 Cb 0.00 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 44.10 2e7m s LEU 81 CO 0.00 -0.33 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.29 2e7m s TYR 82 N 2.33 2.25 -0.25 5.38 1.51 -1.04 -3.91 117.35 123.62 2e7m s TYR 82 Ca 0.20 -1.47 -0.06 0.00 -1.01 0.00 0.00 57.07 54.73 2e7m s TYR 82 Cb -0.16 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2e7m s TYR 82 CO 0.10 -0.71 0.04 0.08 -1.11 0.00 0.00 175.55 173.95 2e7m s VAL 83 N 1.45 4.03 -0.18 0.71 1.01 -0.56 -0.56 120.40 126.30 2e7m s VAL 83 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2e7m s VAL 83 Cb -0.16 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2e7m s VAL 83 CO -0.08 0.34 0.02 -0.36 0.00 0.00 0.00 175.10 175.01 2e7m s PHE 84 N 1.57 3.13 -0.31 5.22 0.40 0.03 -2.77 117.98 125.25 2e7m s PHE 84 Ca 0.06 -0.17 -0.06 0.00 -0.60 0.00 0.00 56.93 56.16 2e7m s PHE 84 Cb -0.15 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.35 2e7m s PHE 84 CO 0.02 -0.01 0.08 0.21 0.70 0.00 0.00 175.22 176.22 2e7m s LYS 85 N 0.55 2.88 -0.40 0.44 2.20 0.16 -2.22 119.74 123.35 2e7m s LYS 85 Ca 0.00 -0.99 -0.20 0.00 -0.36 0.00 0.00 55.97 54.42 2e7m s LYS 85 Cb -0.14 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2e7m s LYS 85 CO 0.02 -0.53 0.60 0.54 -0.36 0.00 0.00 175.35 175.62 2e7m s VAL 86 N 1.45 4.89 -0.44 4.02 0.11 -1.20 -2.30 120.40 126.94 2e7m s VAL 86 Ca 0.01 0.21 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 2e7m s VAL 86 Cb -0.18 -4.12 0.04 0.00 -1.53 0.00 0.00 36.38 30.58 2e7m s VAL 86 CO 0.02 -0.46 0.46 -0.89 -3.33 0.00 0.00 175.10 170.90 2e7m s THR 87 N 2.67 5.07 -0.27 5.04 2.01 0.52 -1.03 115.64 129.65 2e7m s THR 87 Ca 0.21 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2e7m s THR 87 Cb -0.15 -4.10 0.04 0.00 0.01 0.00 0.00 72.50 68.31 2e7m s THR 87 CO 0.17 -0.51 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.85 2e7m s VAL 88 N 2.14 2.82 0.07 3.82 1.01 0.12 -2.86 120.40 127.52 2e7m s VAL 88 Ca 0.11 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2e7m s VAL 88 Cb -0.18 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2e7m s VAL 88 CO 0.12 0.02 -0.08 -0.94 0.00 0.00 0.00 175.10 174.22 2e7m s SER 89 N 1.26 1.03 0.45 3.32 1.04 -1.26 0.39 113.70 119.92 2e7m s SER 89 Ca -0.04 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.68 2e7m s SER 89 Cb -0.19 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2e7m s SER 89 CO -0.03 -0.30 0.11 -0.55 0.98 0.00 0.00 173.24 173.45 2e7m s SER 90 N -2.19 3.24 0.18 7.02 0.15 -0.28 -4.38 113.70 117.45 2e7m s SER 90 Ca -0.01 -1.72 -0.15 0.00 0.70 0.00 0.00 55.95 54.77 2e7m s SER 90 Cb -0.04 0.61 0.15 0.00 -1.71 0.00 0.00 66.02 65.03 2e7m s SER 90 CO -0.01 -0.96 1.66 -0.08 1.20 0.00 0.00 173.24 175.04 2e7m h GLU 91 N 1.61 0.02 -0.73 5.44 4.57 -2.02 -2.62 114.58 120.85 2e7m h GLU 91 Ca -0.37 -0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.28 2e7m h GLU 91 Cb 1.29 -0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.47 2e7m h GLU 91 CO 0.59 0.01 -0.74 0.09 -1.18 0.00 0.00 179.01 177.79 2e7m n ASN 92 N -5.33 4.89 -3.72 1.04 3.02 -1.26 -4.99 115.26 108.90 2e7m n ASN 92 Ca 0.04 -3.76 -0.09 0.00 -0.03 0.00 0.00 54.58 50.74 2e7m n ASN 92 Cb 0.26 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2e7m s ALA 93 N -3.59 -1.05 -0.28 5.41 0.00 -0.99 -0.13 121.76 121.13 2e7m s ALA 93 Ca 0.51 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 2e7m s ALA 93 Cb 0.41 0.86 0.10 0.00 0.00 0.00 0.00 23.12 24.50 2e7m s ALA 93 CO 0.03 -0.84 0.76 0.12 0.00 0.00 0.00 175.76 175.84 2e7m s PHE 94 N -3.87 -0.96 0.21 0.00 5.36 -0.82 -1.13 117.98 116.77 2e7m s PHE 94 Ca 0.09 1.89 -0.22 0.00 -0.96 0.00 0.00 56.93 57.72 2e7m s PHE 94 Cb -0.02 0.58 0.05 0.00 -0.34 0.00 0.00 43.02 43.29 2e7m s PHE 94 CO -0.02 -0.48 0.65 0.20 -1.46 0.00 0.00 175.22 174.11 2e7m s GLY 95 N 1.71 -0.39 -0.05 13.12 0.00 0.16 -3.24 107.32 118.64 2e7m s GLY 95 Ca -0.09 0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.48 2e7m s GLY 95 CO -0.19 0.05 0.86 -1.83 0.00 0.00 0.00 173.10 171.99 2e7m s GLU 96 N -3.82 0.83 0.44 2.90 4.04 -1.26 0.14 118.70 121.97 2e7m s GLU 96 Ca 0.05 -0.07 0.02 0.00 0.04 0.00 0.00 54.97 55.02 2e7m s GLU 96 Cb -0.03 0.39 -0.01 0.00 0.02 0.00 0.00 34.13 34.50 2e7m s GLU 96 CO -0.04 -0.31 0.08 0.41 -1.84 0.00 0.00 175.26 173.55 2e7m n GLY 97 N 0.27 3.42 3.04 -3.83 0.00 -0.20 -4.31 105.19 103.58 2e7m n GLY 97 Ca -0.12 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.57 2e7m n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e7m s PHE 98 N -2.90 -0.67 -0.04 1.61 0.40 -1.26 -3.21 117.98 111.91 2e7m s PHE 98 Ca 0.11 1.04 0.02 0.00 -0.60 0.00 0.00 56.93 57.49 2e7m s PHE 98 Cb 0.01 0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.61 2e7m s PHE 98 CO 0.08 -0.55 -0.06 0.54 0.70 0.00 0.00 175.22 175.93 2e7m s VAL 99 N 2.52 0.60 0.13 -0.44 0.11 -0.94 -4.83 120.40 117.54 2e7m s VAL 99 Ca 0.05 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2e7m s VAL 99 Cb -0.14 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2e7m s VAL 99 CO -0.13 0.22 -0.04 0.54 -3.33 0.00 0.00 175.10 172.36 2e7m s ASN 100 N 0.62 4.66 -0.12 3.54 4.22 -1.26 -0.79 114.94 125.81 2e7m s ASN 100 Ca -0.09 -0.36 -0.02 0.00 -2.14 0.00 0.00 52.86 50.26 2e7m s ASN 100 Cb -0.12 -0.97 0.04 0.00 1.28 0.00 0.00 41.25 41.48 2e7m s ASN 100 CO 0.00 0.14 0.00 -0.69 -2.04 0.00 0.00 177.10 174.52 2e7m s VAL 101 N -1.45 0.50 -0.26 3.54 1.01 0.27 -1.90 120.40 122.12 2e7m s VAL 101 Ca 0.25 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2e7m s VAL 101 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2e7m s VAL 101 CO 0.17 0.11 0.33 -0.89 0.00 0.00 0.00 175.10 174.82 2e7m s THR 102 N 1.90 5.22 -0.46 3.92 2.01 -0.20 -2.51 115.64 125.51 2e7m s THR 102 Ca 0.03 0.49 -0.18 0.00 0.31 0.00 0.00 61.69 62.34 2e7m s THR 102 Cb -0.14 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.76 2e7m s THR 102 CO -0.06 0.20 0.50 -0.69 -0.69 0.00 0.00 174.62 173.87 2e7m s VAL 103 N 1.84 5.04 0.34 3.82 1.01 -1.04 -1.52 120.40 129.89 2e7m s VAL 103 Ca 0.14 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 2e7m s VAL 103 Cb -0.15 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 2e7m s VAL 103 CO 0.09 -0.60 1.04 -0.54 0.00 0.00 0.00 175.10 175.10 2e7m s LYS 104 N 2.20 4.43 0.39 2.72 -0.14 0.93 -3.03 119.74 127.24 2e7m s LYS 104 Ca 0.11 1.58 -0.26 0.00 -1.36 0.00 0.00 55.97 56.04 2e7m s LYS 104 Cb -0.19 -2.84 -0.09 0.00 -1.68 0.00 0.00 37.83 33.03 2e7m s LYS 104 CO 0.11 0.08 1.19 -1.25 -0.76 0.00 0.00 175.35 174.73 2e7m s PRO 105 N -2.00 4.10 -0.52 -1.68 0.04 -1.26 -2.39 135.00 131.29 2e7m s PRO 105 Ca 0.51 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 63.20 2e7m s PRO 105 Cb -0.25 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.46 2e7m s PRO 105 CO 0.32 -0.30 2.43 0.00 0.04 0.00 0.00 177.00 179.49 2e7m n ALA 106 N 0.21 0.78 -3.11 8.56 0.00 -1.26 -4.62 120.51 121.07 2e7m n ALA 106 Ca 0.03 -0.86 -0.45 0.00 0.00 0.00 0.00 53.44 52.16 2e7m n ALA 106 Cb 0.46 -3.13 -0.04 0.00 0.00 0.00 0.00 19.45 16.74 2e7m n ALA 106 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2e7m s ARG 107 N 8.27 3.11 -0.09 0.00 1.70 -1.26 -4.97 118.95 125.70 2e7m s ARG 107 Ca 1.01 -1.42 -0.32 0.00 -0.47 0.00 0.00 55.73 54.53 2e7m s ARG 107 Cb -0.27 -4.32 0.12 0.00 -0.57 0.00 0.00 34.95 29.92 2e7m s ARG 107 CO 0.28 -1.55 1.19 0.45 -1.08 0.00 0.00 175.30 174.60 2e7m s SER 108 N 3.55 -0.13 0.00 -2.89 0.15 -1.26 -5.13 113.70 107.98 2e7m s SER 108 Ca 0.13 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2e7m s SER 108 Cb -0.22 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2e7m s SER 108 CO 0.04 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2e7m n GLY 109 N -0.26 -1.62 3.59 9.45 0.00 -1.26 -5.16 105.19 109.93 2e7m n GLY 109 Ca -0.04 0.65 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.34 -0.12 1.61 0.04 -1.26 -5.05 135.00 128.88 2e7m s PRO 110 Ca 0.00 -0.10 -0.03 0.00 0.04 0.00 0.00 61.00 60.91 2e7m s PRO 110 Cb 0.00 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 2e7m s PRO 110 CO 0.00 -3.78 -0.02 -1.54 0.04 0.00 0.00 177.00 171.70 2e7m s SER 111 N -3.92 5.03 -0.33 6.66 1.04 -1.26 -5.08 113.70 115.84 2e7m s SER 111 Ca 0.71 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 57.15 2e7m s SER 111 Cb -0.09 -1.62 0.11 0.00 0.10 0.00 0.00 66.02 64.52 2e7m s SER 111 CO 0.56 0.27 0.12 -0.55 0.98 0.00 0.00 173.24 174.62 2e7m s SER 112 N -0.23 3.98 0.00 7.02 0.15 -1.26 -5.32 113.70 118.04 2e7m s SER 112 Ca 0.05 -1.81 0.27 0.00 0.70 0.00 0.00 55.95 55.15 2e7m s SER 112 Cb -0.13 -0.90 0.86 0.00 -1.71 0.00 0.00 66.02 64.14 2e7m s SER 112 CO 0.02 -0.39 1.64 0.61 1.20 0.00 0.00 173.24 176.32