#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7m n SER 2 N 0.00 1.71 0.18 1.61 2.88 -1.26 -4.68 113.62 114.06 2e7m n SER 2 Ca 0.00 0.23 -0.17 0.00 -1.33 0.00 0.00 58.87 57.60 2e7m n SER 2 Cb 0.00 -0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 62.73 2e7m n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2e7m h SER 3 N -0.72 -1.50 0.00 -3.46 0.87 -2.13 -3.47 113.55 103.14 2e7m h SER 3 Ca -0.57 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2e7m h SER 3 Cb 1.54 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 2e7m h SER 3 CO -0.32 -0.59 0.00 0.61 -0.53 0.00 0.00 176.83 176.00 2e7m n GLY 4 N -1.51 2.48 3.52 5.77 0.00 -1.26 -5.10 105.19 109.10 2e7m n GLY 4 Ca -0.10 0.06 -0.62 0.00 0.00 0.00 0.00 46.02 45.36 2e7m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e7m n SER 5 N 0.00 0.72 -4.71 1.61 7.64 -1.26 -4.80 113.62 112.82 2e7m n SER 5 Ca 0.00 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.60 2e7m n SER 5 Cb 0.00 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 2e7m n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e7m s SER 6 N 1.78 6.66 0.00 6.43 1.04 -1.26 -5.01 113.70 123.34 2e7m s SER 6 Ca 0.96 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.87 2e7m s SER 6 Cb -1.36 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.18 2e7m s SER 6 CO 0.70 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2e7m n GLY 7 N 3.77 1.37 0.00 7.32 0.00 -1.26 -4.92 105.19 111.47 2e7m n GLY 7 Ca 0.14 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.42 2e7m n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7m n PRO 8 N 0.00 0.49 -1.68 1.61 -0.04 -1.26 -4.82 135.00 129.30 2e7m n PRO 8 Ca 0.00 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 2e7m n PRO 8 Cb 0.00 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.97 2e7m n PRO 8 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2e7m n ARG 9 N -0.94 2.02 -3.85 0.54 1.85 -1.26 -4.96 116.66 110.06 2e7m n ARG 9 Ca 0.10 0.74 -0.12 0.00 -1.00 0.00 0.00 57.85 57.58 2e7m n ARG 9 Cb 0.05 -2.56 -0.12 0.00 -1.05 0.00 0.00 32.46 28.78 2e7m n ARG 9 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2e7m s THR 10 N 3.77 0.02 0.23 8.89 -4.23 -1.26 -5.15 115.64 117.91 2e7m s THR 10 Ca 0.93 -0.19 0.08 0.00 -1.18 0.00 0.00 61.69 61.32 2e7m s THR 10 Cb -0.75 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 2e7m s THR 10 CO 0.53 -0.11 0.04 0.68 -0.54 0.00 0.00 174.62 175.22 2e7m s VAL 11 N -0.31 3.75 0.17 2.29 -7.23 -1.26 -4.86 120.40 112.94 2e7m s VAL 11 Ca -0.04 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.22 2e7m s VAL 11 Cb -0.03 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 33.87 2e7m s VAL 11 CO 0.00 -0.27 0.87 -0.54 -0.31 0.00 0.00 175.10 174.85 2e7m s LYS 12 N -3.44 4.69 -0.78 4.82 1.02 -0.28 -4.81 119.74 120.97 2e7m s LYS 12 Ca 0.30 1.32 -0.24 0.00 0.02 0.00 0.00 55.97 57.38 2e7m s LYS 12 Cb -0.08 -3.30 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 2e7m s LYS 12 CO 0.20 0.47 1.17 -1.21 -0.92 0.00 0.00 175.35 175.06 2e7m s GLU 13 N -0.86 3.27 0.50 1.68 2.02 -1.26 -0.77 118.70 123.28 2e7m s GLU 13 Ca 0.40 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.45 2e7m s GLU 13 Cb -0.24 -4.48 -0.08 0.00 0.10 0.00 0.00 34.13 29.44 2e7m s GLU 13 CO 0.29 -1.99 0.95 -0.51 0.02 0.00 0.00 175.26 174.02 2e7m s LEU 14 N 4.64 3.66 -0.72 1.80 1.43 -0.43 -4.98 118.68 124.08 2e7m s LEU 14 Ca 0.32 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 2e7m s LEU 14 Cb -0.10 -4.44 0.19 0.00 0.03 0.00 0.00 46.19 41.87 2e7m s LEU 14 CO 0.06 -0.55 0.64 -0.89 0.23 0.00 0.00 176.35 175.84 2e7m s THR 15 N -2.57 5.24 -0.24 5.49 2.01 -0.89 -4.48 115.64 120.19 2e7m s THR 15 Ca 0.58 -2.25 -0.23 0.00 0.31 0.00 0.00 61.69 60.09 2e7m s THR 15 Cb -0.10 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 2e7m s THR 15 CO 0.31 -0.96 0.78 -0.69 -0.69 0.00 0.00 174.62 173.36 2e7m s VAL 16 N 0.55 4.88 -0.02 3.82 1.01 -1.26 -2.42 120.40 126.95 2e7m s VAL 16 Ca 0.14 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2e7m s VAL 16 Cb -0.17 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.15 2e7m s VAL 16 CO -0.05 -0.05 -0.05 -0.55 0.00 0.00 0.00 175.10 174.41 2e7m s SER 17 N 1.37 0.77 0.09 3.32 0.15 -0.19 -3.99 113.70 115.22 2e7m s SER 17 Ca 0.33 -0.11 0.09 0.00 0.70 0.00 0.00 55.95 56.95 2e7m s SER 17 Cb -0.15 -0.25 -0.20 0.00 -1.71 0.00 0.00 66.02 63.70 2e7m s SER 17 CO 0.08 0.00 1.14 0.00 1.20 0.00 0.00 173.24 175.66 2e7m h ALA 18 N 6.62 0.46 0.00 5.45 0.00 -1.85 0.14 119.26 130.08 2e7m h ALA 18 Ca -0.34 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.54 2e7m h ALA 18 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2e7m h ALA 18 CO 0.49 1.30 0.00 0.41 0.00 0.00 0.00 179.25 181.45 2e7m n GLY 19 N 1.39 1.82 3.61 0.00 0.00 -1.26 -4.39 105.19 106.35 2e7m n GLY 19 Ca -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.59 -0.13 0.22 1.61 2.15 -1.26 -5.14 116.67 112.53 2e7m s ASP 20 Ca 0.00 -0.07 -0.32 0.00 0.43 0.00 0.00 52.55 52.59 2e7m s ASP 20 Cb 0.00 0.18 -0.13 0.00 -0.30 0.00 0.00 42.92 42.68 2e7m s ASP 20 CO 0.00 -0.32 1.61 -0.46 -0.17 0.00 0.00 175.17 175.84 2e7m n ASN 21 N -0.26 3.56 -4.51 -0.34 0.23 -1.26 -4.85 115.26 107.83 2e7m n ASN 21 Ca -0.04 1.10 -0.33 0.00 -0.53 0.00 0.00 54.58 54.78 2e7m n ASN 21 Cb 0.60 -1.52 -0.12 0.00 -2.08 0.00 0.00 39.78 36.66 2e7m n ASN 21 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2e7m s LEU 22 N 0.57 2.98 -0.14 -4.53 2.01 -1.04 -5.05 118.68 113.48 2e7m s LEU 22 Ca 0.73 -0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.74 2e7m s LEU 22 Cb -0.57 -1.64 0.03 0.00 0.01 0.00 0.00 46.19 44.02 2e7m s LEU 22 CO 0.40 0.31 -0.10 -0.63 1.01 0.00 0.00 176.35 177.34 2e7m s ILE 23 N -0.53 1.33 0.26 -0.59 1.01 -1.26 -1.62 121.20 119.79 2e7m s ILE 23 Ca 0.08 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.26 2e7m s ILE 23 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2e7m s ILE 23 CO 0.02 0.35 0.04 0.27 0.00 0.00 0.00 174.94 175.61 2e7m s ILE 24 N 1.58 3.64 -0.03 2.92 -4.36 -0.03 -4.98 121.20 119.94 2e7m s ILE 24 Ca 0.04 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 2e7m s ILE 24 Cb -0.13 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.63 2e7m s ILE 24 CO -0.09 -0.37 -0.05 -0.89 0.24 0.00 0.00 174.94 173.78 2e7m s THR 25 N -2.29 0.53 0.83 8.37 2.01 -1.24 0.16 115.64 124.01 2e7m s THR 25 Ca 0.32 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 2e7m s THR 25 Cb -0.07 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 2e7m s THR 25 CO 0.21 0.20 0.50 0.18 -0.69 0.00 0.00 174.62 175.02 2e7m n LEU 26 N 3.64 0.54 0.17 4.42 4.77 -0.96 -2.02 117.00 127.55 2e7m n LEU 26 Ca -0.21 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 2e7m n LEU 26 Cb 0.53 -1.23 0.54 0.00 -2.33 0.00 0.00 43.42 40.94 2e7m n LEU 26 CO 0.24 -3.28 0.89 1.55 -1.33 0.00 0.00 177.39 175.46 2e7m h PRO 27 N -0.91 0.00 -5.60 3.23 0.13 -1.94 -3.40 132.00 123.51 2e7m h PRO 27 Ca -0.45 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.16 2e7m h PRO 27 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2e7m h PRO 27 CO 0.39 0.00 1.61 -0.25 -0.23 0.00 0.00 178.00 179.51 2e7m n ASP 28 N -2.44 1.97 -0.07 1.44 8.00 -0.86 -4.74 116.55 119.85 2e7m n ASP 28 Ca 0.02 -0.11 0.09 0.00 0.71 0.00 0.00 54.79 55.49 2e7m n ASP 28 Cb 0.24 -1.38 0.13 0.00 -0.02 0.00 0.00 41.12 40.09 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 13.20 2.31 -4.56 -2.24 2.04 -1.26 -3.67 115.26 121.07 2e7m n ASN 29 Ca 0.43 -3.00 -0.31 0.00 -0.44 0.00 0.00 54.58 51.26 2e7m n ASN 29 Cb 0.37 -0.39 -0.11 0.00 -2.53 0.00 0.00 39.78 37.11 2e7m n ASN 29 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2e7m s GLU 30 N -2.72 2.37 -0.15 -3.83 2.02 -1.26 -3.18 118.70 111.96 2e7m s GLU 30 Ca 0.29 -0.83 -0.13 0.00 0.02 0.00 0.00 54.97 54.32 2e7m s GLU 30 Cb 0.26 -2.39 0.04 0.00 0.10 0.00 0.00 34.13 32.13 2e7m s GLU 30 CO 0.03 0.57 0.39 0.54 0.02 0.00 0.00 175.26 176.81 2e7m s VAL 31 N -1.01 -0.00 -0.39 2.63 0.11 -1.18 -4.98 120.40 115.57 2e7m s VAL 31 Ca 0.17 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.21 2e7m s VAL 31 Cb -0.11 -0.55 0.10 0.00 -1.53 0.00 0.00 36.38 34.29 2e7m s VAL 31 CO 0.08 0.01 0.18 -0.70 -3.33 0.00 0.00 175.10 171.33 2e7m s GLU 32 N 0.39 2.09 0.42 1.54 2.12 -1.26 -1.81 118.70 122.19 2e7m s GLU 32 Ca -0.02 -1.72 -0.11 0.00 0.36 0.00 0.00 54.97 53.48 2e7m s GLU 32 Cb -0.04 -3.53 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 2e7m s GLU 32 CO -0.01 -1.00 0.79 -0.51 -0.54 0.00 0.00 175.26 173.99 2e7m s LEU 33 N 1.17 3.81 -0.03 2.70 1.43 0.73 -4.89 118.68 123.60 2e7m s LEU 33 Ca 0.06 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2e7m s LEU 33 Cb -0.22 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 41.95 2e7m s LEU 33 CO -0.03 -0.42 -0.03 -0.75 0.23 0.00 0.00 176.35 175.34 2e7m s LYS 34 N -3.87 0.62 0.13 1.70 2.20 -1.26 -1.32 119.74 117.94 2e7m s LYS 34 Ca 0.52 -0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 55.89 2e7m s LYS 34 Cb -0.10 -0.67 -0.07 0.00 -1.51 0.00 0.00 37.83 35.48 2e7m s LYS 34 CO 0.31 -0.06 0.57 0.00 -0.36 0.00 0.00 175.35 175.82 2e7m s ALA 35 N 0.75 3.57 -0.11 3.13 0.00 -0.56 -4.32 121.76 124.21 2e7m s ALA 35 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2e7m s ALA 35 Cb -0.12 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.44 2e7m s ALA 35 CO -0.00 0.43 -0.05 -0.06 0.00 0.00 0.00 175.76 176.08 2e7m s PHE 36 N -1.36 1.27 -0.19 0.00 0.08 0.49 -4.98 117.98 113.29 2e7m s PHE 36 Ca 0.35 -0.64 -0.09 0.00 0.12 0.00 0.00 56.93 56.68 2e7m s PHE 36 Cb -0.17 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 2e7m s PHE 36 CO 0.19 -0.48 0.09 0.08 -0.10 0.00 0.00 175.22 175.00 2e7m s VAL 37 N 1.78 5.05 -0.13 -0.44 1.01 -1.26 -1.02 120.40 125.39 2e7m s VAL 37 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2e7m s VAL 37 Cb -0.13 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.97 2e7m s VAL 37 CO -0.07 0.45 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 2e7m s ALA 38 N 0.41 1.91 0.75 5.51 0.00 -1.02 -1.53 121.76 127.80 2e7m s ALA 38 Ca 0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 2e7m s ALA 38 Cb -0.12 -0.93 0.05 0.00 0.00 0.00 0.00 23.12 22.12 2e7m s ALA 38 CO -0.00 -0.12 1.10 -1.25 0.00 0.00 0.00 175.76 175.48 2e7m s PRO 39 N 1.02 2.34 0.38 0.00 0.04 -1.26 -2.09 135.00 135.43 2e7m s PRO 39 Ca -0.05 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 61.95 2e7m s PRO 39 Cb -0.15 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2e7m s PRO 39 CO -0.03 -1.58 1.13 0.00 0.04 0.00 0.00 177.00 176.55 2e7m s ALA 40 N -2.80 3.18 0.89 8.56 0.00 -0.58 -4.99 121.76 126.02 2e7m s ALA 40 Ca 0.62 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 2e7m s ALA 40 Cb -0.18 -3.34 0.13 0.00 0.00 0.00 0.00 23.12 19.72 2e7m s ALA 40 CO 0.53 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.75 2e7m s PRO 41 N -2.20 1.28 0.49 0.00 0.04 -1.26 -5.05 135.00 128.30 2e7m s PRO 41 Ca 0.55 0.82 -0.08 0.00 0.04 0.00 0.00 61.00 62.33 2e7m s PRO 41 Cb -0.29 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.56 2e7m s PRO 41 CO 0.36 -2.22 0.44 -0.35 0.04 0.00 0.00 177.00 175.27 2e7m n PRO 42 N -3.87 -1.88 0.00 0.56 -0.04 -1.25 -4.93 135.00 123.59 2e7m n PRO 42 Ca 0.07 -0.70 0.14 0.00 -0.04 0.00 0.00 63.50 62.97 2e7m n PRO 42 Cb 0.55 -0.66 0.60 0.00 -0.04 0.00 0.00 33.50 33.96 2e7m n PRO 42 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2e7m n VAL 43 N -3.46 0.00 -0.00 0.52 3.14 -1.26 -4.34 118.33 112.93 2e7m n VAL 43 Ca 0.06 -0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.43 2e7m n VAL 43 Cb 0.24 -0.44 -0.00 0.00 -1.06 0.00 0.00 33.84 32.57 2e7m n VAL 43 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2e7m n GLU 44 N -1.48 0.04 -1.75 1.45 1.02 -1.26 -4.98 120.64 113.68 2e7m n GLU 44 Ca 0.08 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 2e7m n GLU 44 Cb 0.33 -0.41 -0.03 0.00 -0.02 0.00 0.00 31.44 31.31 2e7m n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2e7m s THR 45 N -1.16 2.57 -0.19 2.62 2.01 -1.26 -4.98 115.64 115.25 2e7m s THR 45 Ca -0.02 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2e7m s THR 45 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.48 2e7m s THR 45 CO 0.03 0.00 -0.13 0.42 -0.69 0.00 0.00 174.62 174.25 2e7m s THR 46 N 2.63 1.74 1.36 -0.82 -4.23 -1.26 -3.84 115.64 111.22 2e7m s THR 46 Ca 0.80 -0.95 -0.20 0.00 -1.18 0.00 0.00 61.69 60.16 2e7m s THR 46 Cb -0.45 -1.72 0.34 0.00 1.34 0.00 0.00 72.50 72.01 2e7m s THR 46 CO 0.36 0.30 0.87 -1.22 -0.54 0.00 0.00 174.62 174.39 2e7m n TYR 47 N 4.68 -2.89 -4.44 3.99 4.01 -1.26 -5.01 117.16 116.24 2e7m n TYR 47 Ca -0.16 -0.55 -0.34 0.00 -0.16 0.00 0.00 57.90 56.69 2e7m n TYR 47 Cb 0.48 -1.46 -0.13 0.00 -0.31 0.00 0.00 39.34 37.91 2e7m n TYR 47 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2e7m s ASN 48 N -2.77 4.40 -0.37 7.72 -0.87 -1.26 -5.04 114.94 116.76 2e7m s ASN 48 Ca 0.66 -0.26 -0.10 0.00 -1.57 0.00 0.00 52.86 51.60 2e7m s ASN 48 Cb -0.17 -1.71 0.03 0.00 -0.02 0.00 0.00 41.25 39.39 2e7m s ASN 48 CO 0.59 0.13 0.18 -0.31 -2.57 0.00 0.00 177.10 175.12 2e7m s TYR 49 N 0.59 3.25 -0.33 2.20 1.51 -1.26 -3.97 117.35 119.34 2e7m s TYR 49 Ca -0.05 -1.12 -0.00 0.00 -1.01 0.00 0.00 57.07 54.90 2e7m s TYR 49 Cb -0.15 -2.42 0.08 0.00 -0.11 0.00 0.00 41.96 39.36 2e7m s TYR 49 CO 0.03 -0.68 0.04 -2.00 -1.11 0.00 0.00 175.55 171.83 2e7m s GLU 50 N 1.51 2.09 0.38 -0.62 2.12 -1.16 -4.21 118.70 118.81 2e7m s GLU 50 Ca 0.01 -1.55 -0.07 0.00 0.36 0.00 0.00 54.97 53.72 2e7m s GLU 50 Cb -0.19 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 2e7m s GLU 50 CO 0.05 -0.79 0.69 -1.58 -0.54 0.00 0.00 175.26 173.10 2e7m s TRP 51 N 1.13 3.49 -0.15 5.30 0.52 0.13 0.07 118.94 129.42 2e7m s TRP 51 Ca 0.01 0.83 -0.29 0.00 0.02 0.00 0.00 56.10 56.67 2e7m s TRP 51 Cb -0.20 -2.28 0.09 0.00 -1.15 0.00 0.00 33.47 29.93 2e7m s TRP 51 CO -0.04 -0.04 0.83 -0.80 0.02 0.00 0.00 176.95 176.91 2e7m s ASN 52 N -3.41 -0.56 -0.31 2.95 0.01 -0.99 -3.99 114.94 108.63 2e7m s ASN 52 Ca 0.48 0.78 -0.15 0.00 -0.71 0.00 0.00 52.86 53.26 2e7m s ASN 52 Cb -0.10 0.69 -0.02 0.00 0.41 0.00 0.00 41.25 42.23 2e7m s ASN 52 CO 0.34 -0.40 0.38 -0.22 -1.51 0.00 0.00 177.10 175.69 2e7m s LEU 53 N -0.68 4.26 -0.12 0.60 2.96 -1.26 -0.48 118.68 123.97 2e7m s LEU 53 Ca -0.04 -0.01 0.11 0.00 -0.22 0.00 0.00 54.13 53.96 2e7m s LEU 53 Cb -0.02 -2.39 -0.15 0.00 0.50 0.00 0.00 46.19 44.13 2e7m s LEU 53 CO 0.04 -0.29 0.04 2.30 -1.32 0.00 0.00 176.35 177.12 2e7m n ILE 54 N 5.21 0.83 -3.95 6.68 -0.00 -1.11 -4.94 119.36 122.08 2e7m n ILE 54 Ca -0.08 -0.51 -0.29 0.00 -0.00 0.00 0.00 62.75 61.86 2e7m n ILE 54 Cb 0.50 -0.68 -0.16 0.00 -0.00 0.00 0.00 39.64 39.29 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 2e7m s SER 55 N -4.49 2.87 -0.17 7.28 0.01 -1.25 -5.04 113.70 112.91 2e7m s SER 55 Ca -0.06 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.26 2e7m s SER 55 Cb 0.04 -1.05 0.14 0.00 0.21 0.00 0.00 66.02 65.35 2e7m s SER 55 CO 0.49 -0.14 1.07 -1.38 0.41 0.00 0.00 173.24 173.70 2e7m s HIS 56 N 1.54 -0.28 0.47 2.43 -3.43 -1.26 -1.13 115.29 113.63 2e7m s HIS 56 Ca 0.02 0.42 -0.23 0.00 -0.80 0.00 0.00 55.06 54.47 2e7m s HIS 56 Cb -0.15 0.48 -0.07 0.00 -1.43 0.00 0.00 32.58 31.41 2e7m s HIS 56 CO -0.09 -0.30 1.16 -1.25 -2.00 0.00 0.00 174.74 172.27 2e7m s PRO 57 N -1.49 3.73 0.53 -0.38 0.04 -1.25 -4.93 135.00 131.26 2e7m s PRO 57 Ca 0.02 1.76 0.31 0.00 0.04 0.00 0.00 61.00 63.13 2e7m s PRO 57 Cb -0.01 -2.37 1.46 0.00 0.04 0.00 0.00 34.50 33.62 2e7m s PRO 57 CO -0.02 -0.57 2.04 0.00 0.04 0.00 0.00 177.00 178.49 2e7m h THR 58 N 1.82 0.33 0.00 1.26 1.03 -2.02 -2.23 112.91 113.11 2e7m h THR 58 Ca -0.49 -0.57 -0.02 0.00 -0.01 0.00 0.00 66.41 65.31 2e7m h THR 58 Cb 1.25 1.42 -0.00 0.00 -1.07 0.00 0.00 68.15 69.75 2e7m h THR 58 CO 0.60 0.09 -0.11 0.44 -0.01 0.00 0.00 175.52 176.53 2e7m h ASP 59 N 0.00 0.00 -2.42 0.00 5.19 -1.98 -3.43 116.42 113.77 2e7m h ASP 59 Ca -0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 2e7m h ASP 59 Cb 0.42 0.00 0.06 0.00 0.18 0.00 0.00 39.33 39.99 2e7m h ASP 59 CO 0.01 0.11 0.87 0.00 -3.12 0.00 0.00 179.24 177.12 2e7m n TYR 60 N -3.51 2.45 -0.11 4.55 9.36 -0.84 -4.91 117.16 124.14 2e7m n TYR 60 Ca -0.01 0.19 -0.22 0.00 3.32 0.00 0.00 57.90 61.18 2e7m n TYR 60 Cb 0.26 -2.59 -0.07 0.00 -0.63 0.00 0.00 39.34 36.31 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 3.58 0.50 -1.07 2.98 1.13 -1.26 -5.02 117.38 118.21 2e7m n GLN 61 Ca 0.16 0.21 -0.37 0.00 -1.94 0.00 0.00 57.00 55.07 2e7m n GLN 61 Cb 0.31 -1.34 0.04 0.00 0.11 0.00 0.00 30.24 29.36 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 1.55 -3.87 2.97 1.08 0.00 -1.26 -4.99 105.19 100.67 2e7m n GLY 62 Ca -0.40 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.90 1.18 0.43 1.61 -1.05 -1.26 -5.13 118.70 112.58 2e7m s GLU 63 Ca 0.48 -0.27 -0.06 0.00 -0.15 0.00 0.00 54.97 54.97 2e7m s GLU 63 Cb -0.28 -1.06 -0.04 0.00 -0.44 0.00 0.00 34.13 32.31 2e7m s GLU 63 CO 0.75 0.01 0.74 0.42 0.95 0.00 0.00 175.26 178.13 2e7m s ILE 64 N 0.64 4.91 -0.21 1.83 1.01 -1.26 -5.00 121.20 123.12 2e7m s ILE 64 Ca -0.11 0.24 0.15 0.00 0.00 0.00 0.00 60.65 60.94 2e7m s ILE 64 Cb -0.14 -3.82 0.65 0.00 0.01 0.00 0.00 42.46 39.17 2e7m s ILE 64 CO 0.02 -0.68 1.56 0.29 0.00 0.00 0.00 174.94 176.13 2e7m n LYS 65 N -1.82 3.69 -2.00 2.79 5.02 -1.26 -4.92 118.16 119.66 2e7m n LYS 65 Ca 0.00 -2.99 -0.21 0.00 -2.02 0.00 0.00 58.31 53.10 2e7m n LYS 65 Cb 0.55 -2.02 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.08 -1.55 -2.37 1.97 3.00 -1.26 -4.01 117.38 113.08 2e7m n GLN 66 Ca 0.25 1.12 0.00 0.00 -0.01 0.00 0.00 57.00 58.35 2e7m n GLN 66 Cb 1.03 -5.63 0.00 0.00 0.00 0.00 0.00 30.24 25.64 2e7m n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2e7m n GLY 67 N -0.72 0.00 0.00 1.08 0.00 -1.26 0.19 105.19 104.48 2e7m n GLY 67 Ca -0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 1.21 0.00 -4.42 1.61 8.25 -1.26 -3.87 115.22 116.74 2e7m n HIS 68 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 2e7m n HIS 68 Cb 0.30 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.81 1.01 0.23 -0.41 4.76 -1.26 -4.82 118.16 116.87 2e7m n LYS 69 Ca 0.10 -2.32 0.10 0.00 -2.87 0.00 0.00 58.31 53.33 2e7m n LYS 69 Cb 0.05 0.86 0.49 0.00 -1.84 0.00 0.00 35.03 34.59 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 -6.32 1.97 4.15 -1.87 -3.42 115.11 109.62 2e7m h GLN 70 Ca -0.24 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.48 2e7m h GLN 70 Cb 0.80 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.19 2e7m h GLN 70 CO 0.40 0.22 -0.88 0.95 -1.93 0.00 0.00 178.83 177.58 2e7m s THR 71 N -3.71 2.09 -0.14 2.39 -4.23 -1.26 -1.49 115.64 109.29 2e7m s THR 71 Ca 0.00 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2e7m s THR 71 Cb 0.11 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 2e7m s THR 71 CO 0.63 0.58 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.96 2e7m s LEU 72 N -0.40 2.82 -0.18 4.79 2.96 -0.43 -4.82 118.68 123.41 2e7m s LEU 72 Ca 0.04 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2e7m s LEU 72 Cb -0.12 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.93 2e7m s LEU 72 CO 0.01 0.15 -0.15 0.20 -1.32 0.00 0.00 176.35 175.25 2e7m s ASN 73 N 0.44 3.59 0.24 3.68 0.02 -1.26 -0.19 114.94 121.46 2e7m s ASN 73 Ca -0.08 -0.52 0.07 0.00 -1.02 0.00 0.00 52.86 51.30 2e7m s ASN 73 Cb -0.15 -1.57 -0.04 0.00 0.02 0.00 0.00 41.25 39.51 2e7m s ASN 73 CO 0.04 0.03 0.19 -0.76 0.02 0.00 0.00 177.10 176.62 2e7m s LEU 74 N 1.13 3.82 0.30 0.60 1.02 -0.75 -4.97 118.68 119.84 2e7m s LEU 74 Ca 0.01 -0.23 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 2e7m s LEU 74 Cb -0.14 -2.36 -0.01 0.00 0.02 0.00 0.00 46.19 43.70 2e7m s LEU 74 CO -0.05 -0.02 0.42 -0.94 0.02 0.00 0.00 176.35 175.77 2e7m s SER 75 N -3.74 0.60 -0.54 2.29 1.04 -1.26 -3.08 113.70 109.01 2e7m s SER 75 Ca 0.33 -1.35 -0.05 0.00 0.48 0.00 0.00 55.95 55.36 2e7m s SER 75 Cb -0.08 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.69 2e7m s SER 75 CO 0.25 -1.19 0.14 0.00 0.98 0.00 0.00 173.24 173.42 2e7m n GLN 76 N -0.48 -2.57 -2.35 4.02 6.02 -1.26 -4.83 117.38 115.93 2e7m n GLN 76 Ca 0.01 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 2e7m n GLN 76 Cb 0.62 -4.67 -0.03 0.00 1.02 0.00 0.00 30.24 27.18 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 -5.57 4.37 0.44 1.08 1.43 -1.19 -4.58 118.68 114.66 2e7m s LEU 77 Ca 0.17 2.10 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 2e7m s LEU 77 Cb -0.10 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2e7m s LEU 77 CO 0.21 -0.52 0.62 -0.44 0.23 0.00 0.00 176.35 176.44 2e7m s SER 78 N 1.09 5.66 0.14 2.29 0.01 -1.26 -4.75 113.70 116.88 2e7m s SER 78 Ca 0.60 -0.14 -0.31 0.00 1.31 0.00 0.00 55.95 57.41 2e7m s SER 78 Cb -0.31 -1.00 -0.11 0.00 0.21 0.00 0.00 66.02 64.81 2e7m s SER 78 CO 0.29 -0.78 1.82 0.52 0.41 0.00 0.00 173.24 175.51 2e7m n VAL 79 N -1.97 0.30 0.00 3.43 0.31 -1.26 -4.70 118.33 114.44 2e7m n VAL 79 Ca 0.05 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2e7m n VAL 79 Cb 0.59 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 2e7m n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2e7m n GLY 80 N 4.19 0.62 3.79 2.92 0.00 -1.22 -4.98 105.19 110.50 2e7m n GLY 80 Ca 0.18 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 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 4.31 0.02 0.99 2.96 -1.26 -2.59 118.68 123.11 2e7m s LEU 81 Ca 0.00 0.50 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2e7m s LEU 81 Cb 0.00 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 2e7m s LEU 81 CO 0.00 0.24 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.84 2e7m s TYR 82 N -0.20 1.04 -0.19 5.38 2.02 -0.72 -3.87 117.35 120.81 2e7m s TYR 82 Ca 0.15 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 2e7m s TYR 82 Cb -0.13 -0.64 0.05 0.00 -0.40 0.00 0.00 41.96 40.85 2e7m s TYR 82 CO 0.04 0.00 0.00 0.08 -1.57 0.00 0.00 175.55 174.11 2e7m s VAL 83 N -0.64 0.77 -0.31 0.71 1.01 -0.28 -0.16 120.40 121.50 2e7m s VAL 83 Ca 0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 2e7m s VAL 83 Cb -0.06 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2e7m s VAL 83 CO 0.00 -0.10 0.17 -0.36 0.00 0.00 0.00 175.10 174.82 2e7m s PHE 84 N 1.75 3.19 -0.41 5.22 0.08 -0.63 -2.75 117.98 124.44 2e7m s PHE 84 Ca -0.01 -0.32 -0.14 0.00 0.12 0.00 0.00 56.93 56.58 2e7m s PHE 84 Cb -0.17 -2.38 0.03 0.00 -0.57 0.00 0.00 43.02 39.94 2e7m s PHE 84 CO -0.07 -0.36 0.29 0.21 -0.10 0.00 0.00 175.22 175.19 2e7m s LYS 85 N 1.67 2.92 -0.51 0.44 2.20 0.37 -2.40 119.74 124.44 2e7m s LYS 85 Ca 0.06 -1.09 -0.21 0.00 -0.36 0.00 0.00 55.97 54.36 2e7m s LYS 85 Cb -0.17 -3.94 0.05 0.00 -1.51 0.00 0.00 37.83 32.26 2e7m s LYS 85 CO 0.08 -0.78 0.75 0.54 -0.36 0.00 0.00 175.35 175.58 2e7m s VAL 86 N 1.64 4.67 -0.49 4.02 0.11 -0.94 -2.35 120.40 127.06 2e7m s VAL 86 Ca 0.04 -0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 58.80 2e7m s VAL 86 Cb -0.20 -4.38 0.04 0.00 -1.53 0.00 0.00 36.38 30.31 2e7m s VAL 86 CO 0.09 -0.89 0.71 -0.89 -3.33 0.00 0.00 175.10 170.78 2e7m s THR 87 N 3.18 4.74 -0.26 5.04 2.01 0.11 -0.47 115.64 130.00 2e7m s THR 87 Ca 0.23 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 2e7m s THR 87 Cb -0.16 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.06 2e7m s THR 87 CO 0.16 -0.79 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.60 2e7m s VAL 88 N 3.01 3.21 0.01 3.82 1.01 -0.99 -2.98 120.40 127.47 2e7m s VAL 88 Ca 0.22 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2e7m s VAL 88 Cb -0.16 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2e7m s VAL 88 CO 0.17 0.15 -0.01 -0.94 0.00 0.00 0.00 175.10 174.47 2e7m s SER 89 N 1.37 0.09 0.33 3.32 1.04 -1.26 0.74 113.70 119.34 2e7m s SER 89 Ca 0.01 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.28 2e7m s SER 89 Cb -0.17 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.01 2e7m s SER 89 CO -0.02 -0.11 0.19 -0.24 0.98 0.00 0.00 173.24 174.04 2e7m n SER 90 N 2.55 2.27 -0.26 7.02 2.88 0.35 -4.50 113.62 123.92 2e7m n SER 90 Ca -0.16 -2.22 0.02 0.00 -1.33 0.00 0.00 58.87 55.18 2e7m n SER 90 Cb 0.58 0.03 0.15 0.00 -0.75 0.00 0.00 64.21 64.23 2e7m n SER 90 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2e7m h GLU 91 N 0.00 0.65 -0.39 -1.46 4.11 -2.02 -2.81 114.58 112.66 2e7m h GLU 91 Ca -0.23 -0.04 -0.30 0.00 0.07 0.00 0.00 59.36 58.87 2e7m h GLU 91 Cb 0.78 -0.15 -0.27 0.00 0.50 0.00 0.00 28.75 29.62 2e7m h GLU 91 CO 0.36 0.43 -0.74 -1.71 0.07 0.00 0.00 179.01 177.42 2e7m n ASN 92 N -4.82 3.18 -3.53 3.06 5.15 -1.26 -4.93 115.26 112.11 2e7m n ASN 92 Ca 0.12 -3.53 -0.14 0.00 -0.60 0.00 0.00 54.58 50.43 2e7m n ASN 92 Cb 0.28 -0.42 -0.05 0.00 -0.53 0.00 0.00 39.78 39.07 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e7m s ALA 93 N -3.24 -1.49 -0.15 5.20 0.00 -1.06 -1.13 121.76 119.90 2e7m s ALA 93 Ca 0.43 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 2e7m s ALA 93 Cb 0.39 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.97 2e7m s ALA 93 CO -0.02 -0.54 0.41 0.12 0.00 0.00 0.00 175.76 175.72 2e7m s PHE 94 N -2.50 -0.45 0.25 0.00 2.19 0.05 0.13 117.98 117.66 2e7m s PHE 94 Ca -0.05 1.10 -0.11 0.00 0.33 0.00 0.00 56.93 58.19 2e7m s PHE 94 Cb -0.01 0.16 -0.01 0.00 -1.31 0.00 0.00 43.02 41.86 2e7m s PHE 94 CO -0.02 -0.22 0.46 0.20 1.83 0.00 0.00 175.22 177.47 2e7m s GLY 95 N 0.28 0.66 -0.20 13.12 0.00 0.23 -1.32 107.32 120.09 2e7m s GLY 95 Ca -0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 44.72 43.58 2e7m s GLY 95 CO -0.00 -0.70 0.50 -0.54 0.00 0.00 0.00 173.10 172.36 2e7m s GLU 96 N -3.93 0.55 0.27 2.90 2.02 -1.26 -2.36 118.70 116.90 2e7m s GLU 96 Ca 0.24 0.79 0.12 0.00 0.02 0.00 0.00 54.97 56.14 2e7m s GLU 96 Cb -0.00 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.37 2e7m s GLU 96 CO 0.10 -0.10 -0.20 0.20 0.02 0.00 0.00 175.26 175.28 2e7m s GLY 97 N 0.73 1.85 -0.11 -1.39 0.00 0.38 -4.16 107.32 104.62 2e7m s GLY 97 Ca -0.04 -1.84 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 2e7m s GLY 97 CO -0.05 -1.93 0.22 -1.36 0.00 0.00 0.00 173.10 169.99 2e7m s PHE 98 N -2.43 -0.33 -0.04 1.90 0.40 -1.26 -2.21 117.98 114.01 2e7m s PHE 98 Ca 0.29 0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 2e7m s PHE 98 Cb -0.05 -0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.41 2e7m s PHE 98 CO 0.14 -0.31 0.04 0.54 0.70 0.00 0.00 175.22 176.33 2e7m s VAL 99 N 2.17 0.04 -0.11 -0.44 0.11 -1.01 -4.74 120.40 116.43 2e7m s VAL 99 Ca -0.00 0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 59.24 2e7m s VAL 99 Cb -0.12 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 2e7m s VAL 99 CO -0.08 0.18 0.22 0.20 -3.33 0.00 0.00 175.10 172.30 2e7m s ASN 100 N 1.86 6.47 -0.10 3.54 -0.87 -1.26 -1.60 114.94 122.98 2e7m s ASN 100 Ca 0.02 0.55 0.01 0.00 -1.57 0.00 0.00 52.86 51.87 2e7m s ASN 100 Cb -0.12 -2.13 0.02 0.00 -0.02 0.00 0.00 41.25 39.00 2e7m s ASN 100 CO -0.03 0.32 -0.12 -0.69 -2.57 0.00 0.00 177.10 174.01 2e7m s VAL 101 N -0.65 1.24 -0.09 1.60 1.01 0.77 -2.50 120.40 121.79 2e7m s VAL 101 Ca 0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2e7m s VAL 101 Cb -0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2e7m s VAL 101 CO 0.05 0.39 0.04 -0.89 0.00 0.00 0.00 175.10 174.69 2e7m s THR 102 N 1.11 4.63 -0.42 3.92 2.01 -0.64 -1.76 115.64 124.49 2e7m s THR 102 Ca -0.05 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 2e7m s THR 102 Cb -0.14 -2.98 0.11 0.00 0.01 0.00 0.00 72.50 69.50 2e7m s THR 102 CO -0.02 0.59 0.19 -0.69 -0.69 0.00 0.00 174.62 174.00 2e7m s VAL 103 N -0.94 3.05 0.60 3.82 1.01 -1.07 -0.85 120.40 126.02 2e7m s VAL 103 Ca 0.14 -2.28 -0.17 0.00 0.00 0.00 0.00 61.98 59.68 2e7m s VAL 103 Cb -0.12 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2e7m s VAL 103 CO 0.04 -0.69 1.10 -0.54 0.00 0.00 0.00 175.10 175.00 2e7m s LYS 104 N 0.89 3.14 0.74 2.72 -0.14 0.12 -3.43 119.74 123.79 2e7m s LYS 104 Ca 0.10 1.41 -0.12 0.00 -1.36 0.00 0.00 55.97 56.01 2e7m s LYS 104 Cb -0.22 -1.99 0.04 0.00 -1.68 0.00 0.00 37.83 33.98 2e7m s LYS 104 CO -0.05 -0.98 1.10 -1.25 -0.76 0.00 0.00 175.35 173.41 2e7m s PRO 105 N -3.80 2.40 -0.30 -1.68 0.04 -1.26 -2.27 135.00 128.14 2e7m s PRO 105 Ca 0.68 1.23 -0.28 0.00 0.04 0.00 0.00 61.00 62.67 2e7m s PRO 105 Cb -0.20 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2e7m s PRO 105 CO 0.35 -1.54 2.28 0.00 0.04 0.00 0.00 177.00 178.13 2e7m n ALA 106 N -3.21 1.50 -0.07 8.56 0.00 -1.26 -4.30 120.51 121.73 2e7m n ALA 106 Ca 0.09 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 2e7m n ALA 106 Cb 0.53 -2.98 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 2e7m n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7m h ARG 107 N 16.20 0.63 -3.30 0.00 2.47 -1.91 -3.37 114.38 125.10 2e7m h ARG 107 Ca -0.36 -0.39 -0.68 0.00 -1.26 0.00 0.00 59.98 57.29 2e7m h ARG 107 Cb 1.25 0.04 -0.37 0.00 -1.65 0.00 0.00 29.97 29.24 2e7m h ARG 107 CO 1.02 1.00 -0.26 -1.12 0.56 0.00 0.00 179.97 181.17 2e7m s SER 108 N -6.58 5.57 -0.87 7.04 0.01 -1.26 -5.00 113.70 112.61 2e7m s SER 108 Ca -0.12 -3.62 -0.05 0.00 1.31 0.00 0.00 55.95 53.47 2e7m s SER 108 Cb 0.07 -1.83 0.22 0.00 0.21 0.00 0.00 66.02 64.69 2e7m s SER 108 CO 0.83 -0.19 0.77 -0.83 0.41 0.00 0.00 173.24 174.23 2e7m s GLY 109 N -0.35 2.93 0.15 3.44 0.00 -1.26 -4.97 107.32 107.27 2e7m s GLY 109 Ca 0.25 -3.66 -0.31 0.00 0.00 0.00 0.00 44.72 41.01 2e7m s GLY 109 CO -0.12 1.21 1.33 2.56 0.00 0.00 0.00 173.10 178.08 2e7m s PRO 110 N -0.87 4.36 -0.11 2.90 0.04 -1.26 -5.03 135.00 135.03 2e7m s PRO 110 Ca 0.25 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.34 2e7m s PRO 110 Cb -0.11 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2e7m s PRO 110 CO -0.09 -0.33 -0.15 -1.12 0.04 0.00 0.00 177.00 175.35 2e7m s SER 111 N 0.72 3.87 0.43 6.66 0.01 -1.26 -5.12 113.70 119.01 2e7m s SER 111 Ca 0.60 -0.34 -0.21 0.00 1.31 0.00 0.00 55.95 57.31 2e7m s SER 111 Cb -0.36 -1.44 -0.11 0.00 0.21 0.00 0.00 66.02 64.32 2e7m s SER 111 CO 0.34 0.20 0.94 -0.94 0.41 0.00 0.00 173.24 174.19 2e7m s SER 112 N 0.16 6.93 0.00 2.44 1.04 -1.26 -5.36 113.70 117.65 2e7m s SER 112 Ca -0.08 1.67 0.12 0.00 0.48 0.00 0.00 55.95 58.14 2e7m s SER 112 Cb -0.15 -2.53 0.73 0.00 0.10 0.00 0.00 66.02 64.17 2e7m s SER 112 CO 0.05 -0.35 1.16 0.61 0.98 0.00 0.00 173.24 175.69