#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 2.12 -0.29 1.61 0.15 -1.26 -5.09 113.70 110.94 2e7m s SER 2 Ca 0.00 0.64 -0.20 0.00 0.70 0.00 0.00 55.95 57.09 2e7m s SER 2 Cb 0.00 -0.92 0.14 0.00 -1.71 0.00 0.00 66.02 63.52 2e7m s SER 2 CO 0.00 -3.38 1.01 -0.94 1.20 0.00 0.00 173.24 171.13 2e7m s SER 3 N -4.15 -0.47 -0.30 5.45 1.04 -1.26 -5.15 113.70 108.86 2e7m s SER 3 Ca 0.70 0.82 -0.00 0.00 0.48 0.00 0.00 55.95 57.94 2e7m s SER 3 Cb -0.10 1.03 0.19 0.00 0.10 0.00 0.00 66.02 67.25 2e7m s SER 3 CO 0.55 -0.13 0.67 -0.83 0.98 0.00 0.00 173.24 174.47 2e7m s GLY 4 N 0.84 -1.03 -0.08 7.32 0.00 -1.26 -5.15 107.32 107.97 2e7m s GLY 4 Ca -0.03 1.66 0.02 0.00 0.00 0.00 0.00 44.72 46.37 2e7m s GLY 4 CO -0.12 3.58 -0.14 -0.56 0.00 0.00 0.00 173.10 175.87 2e7m s SER 5 N 2.86 1.99 0.38 1.64 0.01 -1.26 -5.14 113.70 114.19 2e7m s SER 5 Ca 0.15 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.15 2e7m s SER 5 Cb -0.12 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 2e7m s SER 5 CO -0.22 0.04 0.30 -0.44 0.41 0.00 0.00 173.24 173.33 2e7m s SER 6 N 0.71 5.01 0.00 2.44 0.01 -1.26 -5.05 113.70 115.55 2e7m s SER 6 Ca -0.13 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2e7m s SER 6 Cb -0.16 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2e7m s SER 6 CO 0.03 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2e7m n GLY 7 N -1.40 -1.44 0.00 3.44 0.00 -1.26 -4.92 105.19 99.61 2e7m n GLY 7 Ca 0.00 0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.41 0.42 -1.72 1.61 -0.04 -1.26 -3.55 135.00 128.05 2e7m n PRO 8 Ca 0.00 0.03 -0.35 0.00 -0.04 0.00 0.00 63.50 63.15 2e7m n PRO 8 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 2e7m n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2e7m n ARG 9 N -1.07 2.61 -4.05 0.54 0.63 -1.26 -4.96 116.66 109.09 2e7m n ARG 9 Ca 0.11 -3.08 -0.22 0.00 -0.92 0.00 0.00 57.85 53.74 2e7m n ARG 9 Cb 0.07 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 30.73 2e7m n ARG 9 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2e7m s THR 10 N -4.09 4.79 0.34 5.15 -4.23 -1.23 -5.11 115.64 111.25 2e7m s THR 10 Ca 0.54 -1.21 0.09 0.00 -1.18 0.00 0.00 61.69 59.93 2e7m s THR 10 Cb 0.42 -3.59 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 2e7m s THR 10 CO -0.32 -0.33 -0.05 0.68 -0.54 0.00 0.00 174.62 174.06 2e7m s VAL 11 N -2.05 2.45 -0.09 2.29 -7.23 -1.26 -4.93 120.40 109.59 2e7m s VAL 11 Ca 0.33 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 2e7m s VAL 11 Cb -0.08 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 2e7m s VAL 11 CO 0.27 -0.22 1.08 -0.54 -0.31 0.00 0.00 175.10 175.38 2e7m s LYS 12 N -3.65 4.39 -0.57 4.82 1.02 0.24 -4.86 119.74 121.13 2e7m s LYS 12 Ca 0.33 1.50 -0.28 0.00 0.02 0.00 0.00 55.97 57.55 2e7m s LYS 12 Cb 0.01 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2e7m s LYS 12 CO 0.18 -0.37 1.40 -1.21 -0.92 0.00 0.00 175.35 174.43 2e7m s GLU 13 N 2.09 3.30 0.23 1.68 2.02 -1.26 -2.11 118.70 124.65 2e7m s GLU 13 Ca 0.51 0.41 -0.16 0.00 0.02 0.00 0.00 54.97 55.74 2e7m s GLU 13 Cb -0.21 -4.12 -0.08 0.00 0.10 0.00 0.00 34.13 29.82 2e7m s GLU 13 CO 0.19 -1.94 0.67 -0.51 0.02 0.00 0.00 175.26 173.70 2e7m s LEU 14 N 6.00 4.26 -0.65 1.80 1.43 -1.14 -4.91 118.68 125.46 2e7m s LEU 14 Ca 0.51 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.71 2e7m s LEU 14 Cb -0.10 -3.64 0.14 0.00 0.03 0.00 0.00 46.19 42.61 2e7m s LEU 14 CO 0.24 -0.02 0.70 -0.89 0.23 0.00 0.00 176.35 176.62 2e7m s THR 15 N -1.64 5.07 -0.21 5.49 2.01 -0.18 -4.61 115.64 121.56 2e7m s THR 15 Ca 0.45 -1.47 -0.15 0.00 0.31 0.00 0.00 61.69 60.83 2e7m s THR 15 Cb -0.14 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2e7m s THR 15 CO 0.20 -1.07 0.35 -0.69 -0.69 0.00 0.00 174.62 172.72 2e7m s VAL 16 N 1.90 5.23 -0.17 3.82 1.01 -1.26 -1.48 120.40 129.45 2e7m s VAL 16 Ca 0.12 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 2e7m s VAL 16 Cb -0.21 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.56 2e7m s VAL 16 CO 0.01 0.26 0.35 -0.55 0.00 0.00 0.00 175.10 175.17 2e7m s SER 17 N 1.09 0.07 0.24 3.32 0.15 0.29 -4.27 113.70 114.59 2e7m s SER 17 Ca 0.17 0.75 -0.05 0.00 0.70 0.00 0.00 55.95 57.51 2e7m s SER 17 Cb -0.15 1.04 0.25 0.00 -1.71 0.00 0.00 66.02 65.46 2e7m s SER 17 CO 0.07 -0.24 1.81 0.00 1.20 0.00 0.00 173.24 176.08 2e7m h ALA 18 N 8.23 1.12 0.00 5.45 0.00 -1.81 0.24 119.26 132.49 2e7m h ALA 18 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2e7m h ALA 18 Cb 1.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2e7m h ALA 18 CO 0.14 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2e7m n GLY 19 N -0.91 1.83 3.85 0.00 0.00 -1.26 -4.25 105.19 104.45 2e7m n GLY 19 Ca 0.06 -0.33 0.01 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 -0.61 -0.02 0.26 1.61 2.15 -1.26 -5.14 116.67 113.66 2e7m s ASP 20 Ca 0.00 -0.26 -0.30 0.00 0.43 0.00 0.00 52.55 52.42 2e7m s ASP 20 Cb 0.00 0.21 -0.10 0.00 -0.30 0.00 0.00 42.92 42.74 2e7m s ASP 20 CO 0.00 -0.42 1.36 0.54 -0.17 0.00 0.00 175.17 176.48 2e7m s ASN 21 N -3.46 6.77 -0.04 -0.34 2.20 -1.26 -4.71 114.94 114.09 2e7m s ASN 21 Ca 0.23 2.59 0.05 0.00 -0.94 0.00 0.00 52.86 54.79 2e7m s ASN 21 Cb 0.01 -2.63 -0.02 0.00 -2.00 0.00 0.00 41.25 36.61 2e7m s ASN 21 CO -0.01 -0.60 -0.18 -0.76 -2.94 0.00 0.00 177.10 172.62 2e7m s LEU 22 N -0.69 2.52 -0.05 3.54 2.01 -0.89 -5.04 118.68 120.07 2e7m s LEU 22 Ca 0.55 -0.29 0.01 0.00 0.01 0.00 0.00 54.13 54.42 2e7m s LEU 22 Cb -0.40 -1.49 0.02 0.00 0.01 0.00 0.00 46.19 44.34 2e7m s LEU 22 CO 0.44 0.33 -0.05 -0.63 1.01 0.00 0.00 176.35 177.45 2e7m s ILE 23 N -0.64 0.62 0.30 -0.59 1.01 -1.26 -0.75 121.20 119.89 2e7m s ILE 23 Ca 0.10 -0.16 0.11 0.00 0.00 0.00 0.00 60.65 60.70 2e7m s ILE 23 Cb -0.11 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 2e7m s ILE 23 CO 0.00 0.25 -0.17 0.27 0.00 0.00 0.00 174.94 175.30 2e7m s ILE 24 N 0.99 2.39 -0.07 2.92 -4.36 -0.47 -4.99 121.20 117.62 2e7m s ILE 24 Ca -0.10 -2.35 0.01 0.00 -0.26 0.00 0.00 60.65 57.96 2e7m s ILE 24 Cb -0.14 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.19 2e7m s ILE 24 CO -0.00 -0.34 -0.09 -0.89 0.24 0.00 0.00 174.94 173.86 2e7m s THR 25 N -2.55 0.90 0.79 8.37 2.01 -1.25 0.32 115.64 124.23 2e7m s THR 25 Ca 0.31 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 2e7m s THR 25 Cb -0.03 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 2e7m s THR 25 CO 0.15 0.31 0.40 0.18 -0.69 0.00 0.00 174.62 174.97 2e7m n LEU 26 N 4.13 0.01 0.26 4.42 4.77 -0.88 -2.29 117.00 127.43 2e7m n LEU 26 Ca -0.21 0.51 0.15 0.00 -0.03 0.00 0.00 56.01 56.43 2e7m n LEU 26 Cb 0.51 -1.17 0.65 0.00 -2.33 0.00 0.00 43.42 41.07 2e7m n LEU 26 CO 0.23 -3.47 0.95 1.55 -1.33 0.00 0.00 177.39 175.31 2e7m h PRO 27 N -0.68 0.00 -5.19 3.23 0.13 -1.96 -3.41 132.00 124.12 2e7m h PRO 27 Ca -0.45 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 2e7m h PRO 27 Cb 1.33 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 2e7m h PRO 27 CO 0.39 0.07 1.66 -0.25 -0.23 0.00 0.00 178.00 179.64 2e7m n ASP 28 N -3.21 0.75 -0.68 1.44 9.92 -0.97 -4.71 116.55 119.09 2e7m n ASP 28 Ca 0.00 -0.19 0.05 0.00 -0.53 0.00 0.00 54.79 54.12 2e7m n ASP 28 Cb 0.33 -1.11 0.20 0.00 -0.64 0.00 0.00 41.12 39.90 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 11.96 2.55 -4.44 -2.24 0.23 -1.26 -3.77 115.26 118.30 2e7m n ASN 29 Ca 0.57 -3.46 -0.33 0.00 -0.53 0.00 0.00 54.58 50.83 2e7m n ASN 29 Cb 0.21 -0.54 -0.14 0.00 -2.08 0.00 0.00 39.78 37.24 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 -3.06 2.58 -0.02 -3.83 2.02 -1.26 -2.68 118.70 112.46 2e7m s GLU 30 Ca 0.39 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.60 2e7m s GLU 30 Cb 0.35 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2e7m s GLU 30 CO 0.01 0.55 0.12 0.54 0.02 0.00 0.00 175.26 176.50 2e7m s VAL 31 N -0.55 0.05 -0.27 2.63 0.11 -0.96 -4.97 120.40 116.43 2e7m s VAL 31 Ca 0.08 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 2e7m s VAL 31 Cb -0.11 -0.30 0.07 0.00 -1.53 0.00 0.00 36.38 34.50 2e7m s VAL 31 CO 0.01 -0.21 -0.07 -0.70 -3.33 0.00 0.00 175.10 170.80 2e7m s GLU 32 N -0.71 2.03 0.22 1.54 2.12 -1.26 -1.12 118.70 121.52 2e7m s GLU 32 Ca -0.08 -1.42 -0.03 0.00 0.36 0.00 0.00 54.97 53.80 2e7m s GLU 32 Cb -0.05 -2.91 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 2e7m s GLU 32 CO 0.01 -0.65 0.45 -0.51 -0.54 0.00 0.00 175.26 174.02 2e7m s LEU 33 N 1.09 4.17 -0.02 2.70 1.43 0.12 -4.91 118.68 123.26 2e7m s LEU 33 Ca -0.05 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2e7m s LEU 33 Cb -0.20 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.69 2e7m s LEU 33 CO -0.06 -0.08 -0.04 -0.75 0.23 0.00 0.00 176.35 175.65 2e7m s LYS 34 N -3.26 0.58 -0.40 1.70 2.20 -1.26 -0.69 119.74 118.61 2e7m s LYS 34 Ca 0.41 -0.11 -0.16 0.00 -0.36 0.00 0.00 55.97 55.76 2e7m s LYS 34 Cb -0.11 -0.61 0.01 0.00 -1.51 0.00 0.00 37.83 35.62 2e7m s LYS 34 CO 0.28 -0.01 0.35 0.00 -0.36 0.00 0.00 175.35 175.61 2e7m s ALA 35 N 0.51 3.47 -0.25 3.13 0.00 -0.74 -4.11 121.76 123.76 2e7m s ALA 35 Ca -0.06 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.15 2e7m s ALA 35 Cb -0.09 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2e7m s ALA 35 CO -0.00 -1.41 0.62 -0.06 0.00 0.00 0.00 175.76 174.91 2e7m s PHE 36 N 1.89 3.28 -0.20 0.00 0.08 0.85 -4.89 117.98 119.00 2e7m s PHE 36 Ca 0.08 0.81 -0.01 0.00 0.12 0.00 0.00 56.93 57.93 2e7m s PHE 36 Cb -0.18 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 2e7m s PHE 36 CO 0.12 -0.32 -0.12 0.08 -0.10 0.00 0.00 175.22 174.87 2e7m s VAL 37 N 2.49 2.72 -0.04 -0.44 1.01 -1.25 -0.54 120.40 124.34 2e7m s VAL 37 Ca 0.26 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2e7m s VAL 37 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2e7m s VAL 37 CO 0.08 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.44 2e7m s ALA 38 N 1.32 2.29 0.88 5.51 0.00 -0.55 -3.17 121.76 128.06 2e7m s ALA 38 Ca 0.04 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2e7m s ALA 38 Cb -0.14 -0.71 0.12 0.00 0.00 0.00 0.00 23.12 22.39 2e7m s ALA 38 CO -0.07 0.49 1.09 -1.25 0.00 0.00 0.00 175.76 176.02 2e7m s PRO 39 N -0.46 1.37 0.28 0.00 0.04 -1.26 -1.01 135.00 133.96 2e7m s PRO 39 Ca 0.05 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 2e7m s PRO 39 Cb -0.12 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2e7m s PRO 39 CO 0.01 -2.18 1.08 0.00 0.04 0.00 0.00 177.00 175.95 2e7m s ALA 40 N -2.93 3.38 0.49 8.56 0.00 -1.19 -4.96 121.76 125.10 2e7m s ALA 40 Ca 0.63 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 53.23 2e7m s ALA 40 Cb -0.18 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 2e7m s ALA 40 CO 0.57 -0.12 1.15 -1.25 0.00 0.00 0.00 175.76 176.11 2e7m s PRO 41 N -1.48 3.63 0.00 0.00 0.04 -1.26 -5.05 135.00 130.87 2e7m s PRO 41 Ca 0.45 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2e7m s PRO 41 Cb -0.31 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2e7m s PRO 41 CO 0.39 -0.65 0.00 -0.35 0.04 0.00 0.00 177.00 176.43 2e7m n PRO 42 N -0.75 -0.86 0.14 0.56 -0.04 -1.24 -4.95 135.00 127.86 2e7m n PRO 42 Ca 0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2e7m n PRO 42 Cb 0.49 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.43 0.94 0.00 0.52 3.04 -2.06 -3.39 116.25 113.87 2e7m h VAL 43 Ca 0.00 -2.19 0.00 0.00 -1.01 0.00 0.00 66.70 63.50 2e7m h VAL 43 Cb 0.00 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2e7m h VAL 43 CO 0.00 0.51 -0.13 -0.62 -1.01 0.00 0.00 177.57 176.32 2e7m n GLU 44 N -3.29 0.10 -1.97 4.17 1.02 -1.26 -4.95 120.64 114.46 2e7m n GLU 44 Ca 0.01 0.25 -0.39 0.00 -0.02 0.00 0.00 57.16 57.01 2e7m n GLU 44 Cb 0.71 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 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 -1.29 2.43 0.04 2.62 2.01 -1.26 -5.03 115.64 115.15 2e7m s THR 45 Ca -0.04 0.38 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 2e7m s THR 45 Cb 0.01 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 2e7m s THR 45 CO 0.06 0.05 0.13 0.28 -0.69 0.00 0.00 174.62 174.45 2e7m s THR 46 N -1.26 0.12 0.25 -0.82 -1.32 -1.26 -3.66 115.64 107.68 2e7m s THR 46 Ca 0.59 -1.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.14 2e7m s THR 46 Cb -0.40 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.69 2e7m s THR 46 CO 0.51 -0.55 0.19 -0.31 -2.21 0.00 0.00 174.62 172.25 2e7m s TYR 47 N -2.51 3.11 -0.18 9.09 2.02 -1.26 -5.05 117.35 122.57 2e7m s TYR 47 Ca -0.06 -0.11 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 2e7m s TYR 47 Cb -0.02 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2e7m s TYR 47 CO -0.04 0.52 0.39 -0.80 -1.57 0.00 0.00 175.55 174.06 2e7m s ASN 48 N -3.78 6.47 -0.42 2.29 0.01 -1.26 -5.03 114.94 113.22 2e7m s ASN 48 Ca 0.33 0.56 -0.12 0.00 -0.71 0.00 0.00 52.86 52.91 2e7m s ASN 48 Cb -0.08 -2.23 0.05 0.00 0.41 0.00 0.00 41.25 39.40 2e7m s ASN 48 CO 0.25 -0.04 0.29 -0.31 -1.51 0.00 0.00 177.10 175.78 2e7m s TYR 49 N 1.07 3.27 -0.14 2.20 2.02 -1.26 -4.13 117.35 120.37 2e7m s TYR 49 Ca 0.20 -1.06 0.02 0.00 -0.37 0.00 0.00 57.07 55.86 2e7m s TYR 49 Cb -0.14 -2.81 0.01 0.00 -0.40 0.00 0.00 41.96 38.62 2e7m s TYR 49 CO 0.08 -0.74 -0.21 -2.00 -1.57 0.00 0.00 175.55 171.10 2e7m s GLU 50 N 1.56 3.04 0.16 -0.62 2.56 -1.12 -4.00 118.70 120.28 2e7m s GLU 50 Ca 0.03 -0.84 0.06 0.00 0.00 0.00 0.00 54.97 54.22 2e7m s GLU 50 Cb -0.22 -2.46 -0.04 0.00 2.00 0.00 0.00 34.13 33.41 2e7m s GLU 50 CO 0.06 -0.02 0.04 -1.58 -0.56 0.00 0.00 175.26 173.20 2e7m s TRP 51 N 0.83 2.95 -0.25 5.30 0.52 0.90 0.64 118.94 129.83 2e7m s TRP 51 Ca -0.06 -0.09 -0.23 0.00 0.02 0.00 0.00 56.10 55.74 2e7m s TRP 51 Cb -0.15 -1.43 0.06 0.00 -1.15 0.00 0.00 33.47 30.80 2e7m s TRP 51 CO -0.02 0.51 0.66 -0.80 0.02 0.00 0.00 176.95 177.32 2e7m s ASN 52 N -2.92 -0.69 -0.05 2.95 0.01 -0.93 -4.08 114.94 109.23 2e7m s ASN 52 Ca 0.28 1.32 -0.23 0.00 -0.71 0.00 0.00 52.86 53.53 2e7m s ASN 52 Cb -0.10 1.34 -0.04 0.00 0.41 0.00 0.00 41.25 42.86 2e7m s ASN 52 CO 0.20 -0.23 0.68 -0.22 -1.51 0.00 0.00 177.10 176.02 2e7m s LEU 53 N 0.34 4.34 0.00 0.60 2.96 -1.26 -1.36 118.68 124.30 2e7m s LEU 53 Ca -0.00 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 2e7m s LEU 53 Cb -0.05 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.59 2e7m s LEU 53 CO 0.01 -0.07 0.00 2.30 -1.32 0.00 0.00 176.35 177.27 2e7m n ILE 54 N 3.53 0.00 -3.82 6.68 -5.35 -1.12 -5.00 119.36 114.28 2e7m n ILE 54 Ca -0.02 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.09 2e7m n ILE 54 Cb 0.51 -0.79 -0.13 0.00 -1.74 0.00 0.00 39.64 37.49 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 -4.30 5.02 -0.09 7.28 0.15 -1.24 -5.00 113.70 115.51 2e7m s SER 55 Ca 0.00 -0.99 -0.30 0.00 0.70 0.00 0.00 55.95 55.36 2e7m s SER 55 Cb 0.00 -1.81 0.10 0.00 -1.71 0.00 0.00 66.02 62.60 2e7m s SER 55 CO 0.00 -0.24 0.87 -1.38 1.20 0.00 0.00 173.24 173.69 2e7m s HIS 56 N 1.39 -0.46 0.36 3.44 -3.43 -1.25 -0.92 115.29 114.43 2e7m s HIS 56 Ca -0.01 0.70 -0.27 0.00 -0.80 0.00 0.00 55.06 54.68 2e7m s HIS 56 Cb -0.18 0.46 -0.09 0.00 -1.43 0.00 0.00 32.58 31.33 2e7m s HIS 56 CO 0.01 -0.47 1.21 -1.25 -2.00 0.00 0.00 174.74 172.23 2e7m s PRO 57 N -1.55 4.22 0.50 -0.38 0.04 -1.25 -4.92 135.00 131.66 2e7m s PRO 57 Ca -0.03 1.96 0.18 0.00 0.04 0.00 0.00 61.00 63.15 2e7m s PRO 57 Cb -0.00 -2.87 1.23 0.00 0.04 0.00 0.00 34.50 32.89 2e7m s PRO 57 CO 0.02 -0.21 2.06 0.00 0.04 0.00 0.00 177.00 178.91 2e7m h THR 58 N 2.65 0.90 -0.26 1.26 1.03 -2.01 -0.47 112.91 116.01 2e7m h THR 58 Ca -0.49 -0.04 -0.02 0.00 -0.01 0.00 0.00 66.41 65.86 2e7m h THR 58 Cb 1.23 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 69.06 2e7m h THR 58 CO 0.64 0.02 0.09 -0.78 -0.01 0.00 0.00 175.52 175.48 2e7m h ASP 59 N 0.13 0.32 -1.96 0.00 3.58 -2.01 -3.44 116.42 113.03 2e7m h ASP 59 Ca 0.15 -0.03 -0.62 0.00 0.42 0.00 0.00 57.03 56.95 2e7m h ASP 59 Cb 0.42 -0.08 0.15 0.00 1.72 0.00 0.00 39.33 41.54 2e7m h ASP 59 CO -0.02 0.31 -0.66 0.00 -2.88 0.00 0.00 179.24 176.00 2e7m n TYR 60 N -4.42 -1.23 0.00 0.28 9.36 -0.19 -4.91 117.16 116.06 2e7m n TYR 60 Ca 0.01 0.63 0.00 0.00 3.32 0.00 0.00 57.90 61.86 2e7m n TYR 60 Cb 0.14 -1.89 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 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 0.95 0.00 -1.00 2.98 6.02 -1.26 -5.04 117.38 120.02 2e7m n GLN 61 Ca 0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.76 2e7m n GLN 61 Cb 0.39 -0.72 0.03 0.00 1.02 0.00 0.00 30.24 30.96 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 2.39 -4.10 3.06 1.08 0.00 -1.26 -4.98 105.19 101.38 2e7m n GLY 62 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.67 1.87 0.48 1.61 -1.05 -1.26 -5.14 118.70 113.53 2e7m s GLU 63 Ca 0.42 -0.49 0.01 0.00 -0.15 0.00 0.00 54.97 54.75 2e7m s GLU 63 Cb -0.24 -1.53 0.01 0.00 -0.44 0.00 0.00 34.13 31.93 2e7m s GLU 63 CO 0.75 0.07 0.70 0.42 0.95 0.00 0.00 175.26 178.14 2e7m s ILE 64 N 0.55 3.65 -0.33 1.83 1.01 -1.26 -5.01 121.20 121.65 2e7m s ILE 64 Ca -0.14 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2e7m s ILE 64 Cb -0.16 -3.35 0.46 0.00 0.01 0.00 0.00 42.46 39.42 2e7m s ILE 64 CO 0.04 -0.25 1.35 0.29 0.00 0.00 0.00 174.94 176.37 2e7m n LYS 65 N -2.14 2.94 -1.79 2.79 4.76 -1.26 -4.92 118.16 118.53 2e7m n LYS 65 Ca 0.03 -3.78 -0.03 0.00 -2.87 0.00 0.00 58.31 51.66 2e7m n LYS 65 Cb 0.58 -2.12 -0.01 0.00 -1.84 0.00 0.00 35.03 31.65 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 -0.86 -1.95 -2.85 1.97 6.02 -1.26 -2.83 117.38 115.62 2e7m n GLN 66 Ca 0.41 0.15 -0.18 0.00 -0.01 0.00 0.00 57.00 57.37 2e7m n GLN 66 Cb 0.90 -4.44 0.01 0.00 1.02 0.00 0.00 30.24 27.73 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 -0.31 -0.34 0.24 1.08 0.00 -1.26 -0.07 105.19 104.52 2e7m n GLY 67 Ca -0.03 0.49 0.10 0.00 0.00 0.00 0.00 46.02 46.58 2e7m n GLY 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2e7m h HIS 68 N 0.69 0.00 -5.21 1.61 -0.00 -1.67 -3.38 115.15 107.19 2e7m h HIS 68 Ca -0.35 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 59.67 2e7m h HIS 68 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.18 2e7m h HIS 68 CO 0.07 0.00 -0.16 1.63 -0.00 0.00 0.00 177.93 179.47 2e7m n LYS 69 N -2.43 0.96 0.17 2.45 4.76 -1.26 -4.42 118.16 118.38 2e7m n LYS 69 Ca -0.01 -2.14 0.03 0.00 -2.87 0.00 0.00 58.31 53.32 2e7m n LYS 69 Cb 0.36 0.19 0.26 0.00 -1.84 0.00 0.00 35.03 33.99 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 -5.88 1.97 4.15 -1.86 -3.43 115.11 110.07 2e7m h GLN 70 Ca -0.21 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.53 2e7m h GLN 70 Cb 0.80 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.28 2e7m h GLN 70 CO 0.33 0.47 -0.70 0.95 -1.93 0.00 0.00 178.83 177.96 2e7m s THR 71 N -3.55 3.64 -0.05 2.39 -4.23 -1.26 -1.79 115.64 110.79 2e7m s THR 71 Ca -0.00 -0.49 0.05 0.00 -1.18 0.00 0.00 61.69 60.07 2e7m s THR 71 Cb 0.11 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 2e7m s THR 71 CO 0.72 0.57 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.96 2e7m s LEU 72 N -0.42 2.46 -0.11 4.79 2.96 0.13 -4.85 118.68 123.64 2e7m s LEU 72 Ca 0.06 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2e7m s LEU 72 Cb -0.12 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.10 2e7m s LEU 72 CO 0.02 0.31 -0.18 0.20 -1.32 0.00 0.00 176.35 175.38 2e7m s ASN 73 N -0.52 2.62 0.30 3.68 0.01 -1.26 0.11 114.94 119.88 2e7m s ASN 73 Ca 0.07 -0.47 0.09 0.00 -0.71 0.00 0.00 52.86 51.84 2e7m s ASN 73 Cb -0.11 -1.19 -0.05 0.00 0.41 0.00 0.00 41.25 40.31 2e7m s ASN 73 CO 0.01 0.05 0.01 -0.76 -1.51 0.00 0.00 177.10 174.90 2e7m s LEU 74 N 0.83 3.09 0.36 0.60 1.02 -0.28 -4.96 118.68 119.34 2e7m s LEU 74 Ca -0.09 -0.81 -0.02 0.00 0.02 0.00 0.00 54.13 53.24 2e7m s LEU 74 Cb -0.16 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.50 2e7m s LEU 74 CO 0.00 -0.12 0.49 -0.55 0.02 0.00 0.00 176.35 176.19 2e7m s SER 75 N -3.71 1.06 -0.06 2.29 0.15 -1.25 -2.27 113.70 109.91 2e7m s SER 75 Ca 0.33 -1.55 -0.01 0.00 0.70 0.00 0.00 55.95 55.43 2e7m s SER 75 Cb -0.04 0.69 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 2e7m s SER 75 CO 0.20 -1.34 0.02 0.00 1.20 0.00 0.00 173.24 173.32 2e7m n GLN 76 N -0.60 -2.53 -2.05 5.44 6.02 -1.19 -4.78 117.38 117.69 2e7m n GLN 76 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 2e7m n GLN 76 Cb 0.61 -3.62 -0.03 0.00 1.02 0.00 0.00 30.24 28.22 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 -4.09 4.37 0.65 1.08 1.43 -1.09 -4.77 118.68 116.25 2e7m s LEU 77 Ca 0.03 2.47 -0.09 0.00 -1.03 0.00 0.00 54.13 55.51 2e7m s LEU 77 Cb -0.02 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2e7m s LEU 77 CO 0.03 -0.74 1.01 -0.55 0.23 0.00 0.00 176.35 176.33 2e7m s SER 78 N 1.16 5.64 -0.65 2.29 0.15 -1.26 -4.82 113.70 116.21 2e7m s SER 78 Ca 0.67 1.03 -0.26 0.00 0.70 0.00 0.00 55.95 58.09 2e7m s SER 78 Cb -0.40 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2e7m s SER 78 CO 0.31 -1.15 1.97 -0.69 1.20 0.00 0.00 173.24 174.87 2e7m s VAL 79 N -3.19 3.31 -0.04 4.45 1.01 -1.26 -4.61 120.40 120.08 2e7m s VAL 79 Ca 0.56 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 2e7m s VAL 79 Cb -0.11 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.58 2e7m s VAL 79 CO 0.50 -0.77 1.31 -0.83 0.00 0.00 0.00 175.10 175.31 2e7m s GLY 80 N 8.73 -0.22 0.05 4.51 0.00 -1.25 -4.94 107.32 114.21 2e7m s GLY 80 Ca 0.72 0.23 -0.18 0.00 0.00 0.00 0.00 44.72 45.50 2e7m s GLY 80 CO 0.18 4.55 0.52 -2.27 0.00 0.00 0.00 173.10 176.08 2e7m s LEU 81 N -3.64 4.51 -0.17 0.66 2.96 -1.26 -3.01 118.68 118.72 2e7m s LEU 81 Ca 0.26 1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 55.31 2e7m s LEU 81 Cb 0.01 -2.82 0.07 0.00 0.50 0.00 0.00 46.19 43.96 2e7m s LEU 81 CO -0.02 0.29 0.16 -0.31 -1.32 0.00 0.00 176.35 175.14 2e7m s TYR 82 N -1.11 -0.07 -0.39 5.38 2.02 -0.87 -3.89 117.35 118.42 2e7m s TYR 82 Ca 0.28 0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.89 2e7m s TYR 82 Cb -0.19 -0.49 0.04 0.00 -0.40 0.00 0.00 41.96 40.92 2e7m s TYR 82 CO 0.17 -0.53 0.24 0.08 -1.57 0.00 0.00 175.55 173.95 2e7m s VAL 83 N 2.24 4.70 -0.21 0.71 1.01 -0.10 -1.61 120.40 127.14 2e7m s VAL 83 Ca 0.04 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 2e7m s VAL 83 Cb -0.15 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2e7m s VAL 83 CO -0.10 -0.31 0.27 -0.36 0.00 0.00 0.00 175.10 174.60 2e7m s PHE 84 N 1.57 3.36 -0.30 5.22 0.08 -0.53 -2.79 117.98 124.58 2e7m s PHE 84 Ca 0.03 0.43 -0.09 0.00 0.12 0.00 0.00 56.93 57.41 2e7m s PHE 84 Cb -0.20 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.87 2e7m s PHE 84 CO 0.07 0.07 0.14 0.21 -0.10 0.00 0.00 175.22 175.61 2e7m s LYS 85 N 1.04 3.41 -0.47 0.44 2.20 -0.47 -1.91 119.74 123.99 2e7m s LYS 85 Ca 0.13 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.88 2e7m s LYS 85 Cb -0.14 -3.53 0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2e7m s LYS 85 CO 0.05 -0.37 0.60 0.54 -0.36 0.00 0.00 175.35 175.81 2e7m s VAL 86 N 1.62 4.89 -0.37 4.02 0.11 -1.00 -2.19 120.40 127.48 2e7m s VAL 86 Ca 0.05 -0.26 -0.18 0.00 -2.93 0.00 0.00 61.98 58.66 2e7m s VAL 86 Cb -0.17 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.46 2e7m s VAL 86 CO 0.06 -0.67 0.52 -0.89 -3.33 0.00 0.00 175.10 170.78 2e7m s THR 87 N 2.62 5.00 -0.25 5.04 2.01 0.21 -1.74 115.64 128.53 2e7m s THR 87 Ca 0.17 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.40 2e7m s THR 87 Cb -0.17 -4.00 0.06 0.00 0.01 0.00 0.00 72.50 68.40 2e7m s THR 87 CO 0.15 -0.29 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.02 2e7m s VAL 88 N 2.41 1.84 0.03 3.82 1.01 0.12 -2.80 120.40 126.83 2e7m s VAL 88 Ca 0.18 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.74 2e7m s VAL 88 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2e7m s VAL 88 CO 0.14 -0.10 -0.10 -0.44 0.00 0.00 0.00 175.10 174.60 2e7m s SER 89 N 1.25 1.14 0.40 3.32 0.01 -1.26 0.20 113.70 118.76 2e7m s SER 89 Ca -0.06 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2e7m s SER 89 Cb -0.19 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2e7m s SER 89 CO -0.06 -0.06 0.08 -0.44 0.41 0.00 0.00 173.24 173.17 2e7m s SER 90 N -1.12 2.99 0.18 2.44 0.01 -0.00 -4.48 113.70 113.71 2e7m s SER 90 Ca -0.03 -1.57 -0.24 0.00 1.31 0.00 0.00 55.95 55.43 2e7m s SER 90 Cb -0.08 0.29 0.07 0.00 0.21 0.00 0.00 66.02 66.52 2e7m s SER 90 CO 0.01 -0.80 1.57 -0.08 0.41 0.00 0.00 173.24 174.35 2e7m h GLU 91 N 1.80 -0.19 -0.97 12.44 4.81 -2.02 -2.02 114.58 128.44 2e7m h GLU 91 Ca -0.39 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.26 2e7m h GLU 91 Cb 1.27 0.04 -0.39 0.00 0.63 0.00 0.00 28.75 30.30 2e7m h GLU 91 CO 0.65 -0.12 -0.38 0.27 -0.73 0.00 0.00 179.01 178.70 2e7m n ASN 92 N -5.42 5.58 -3.57 1.04 0.23 -1.26 -4.99 115.26 106.86 2e7m n ASN 92 Ca 0.03 -3.76 -0.10 0.00 -0.53 0.00 0.00 54.58 50.22 2e7m n ASN 92 Cb 0.35 -0.52 -0.02 0.00 -2.08 0.00 0.00 39.78 37.51 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 -3.66 -1.38 -0.29 -2.53 0.00 -0.76 -0.59 121.76 112.55 2e7m s ALA 93 Ca 0.53 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.52 2e7m s ALA 93 Cb 0.43 0.86 0.12 0.00 0.00 0.00 0.00 23.12 24.53 2e7m s ALA 93 CO -0.02 -0.82 0.85 0.12 0.00 0.00 0.00 175.76 175.88 2e7m s PHE 94 N -3.81 -0.81 0.09 0.00 5.36 -0.90 -0.82 117.98 117.09 2e7m s PHE 94 Ca 0.04 1.60 -0.26 0.00 -0.96 0.00 0.00 56.93 57.35 2e7m s PHE 94 Cb -0.02 0.49 0.08 0.00 -0.34 0.00 0.00 43.02 43.23 2e7m s PHE 94 CO -0.07 -0.40 0.83 0.20 -1.46 0.00 0.00 175.22 174.31 2e7m s GLY 95 N 1.60 -0.42 0.02 13.12 0.00 0.13 -2.89 107.32 118.87 2e7m s GLY 95 Ca -0.09 0.60 -0.28 0.00 0.00 0.00 0.00 44.72 44.95 2e7m s GLY 95 CO -0.17 0.19 0.91 -1.83 0.00 0.00 0.00 173.10 172.20 2e7m s GLU 96 N -3.36 0.86 0.14 2.90 4.04 -1.26 0.16 118.70 122.19 2e7m s GLU 96 Ca 0.06 -0.35 0.01 0.00 0.04 0.00 0.00 54.97 54.73 2e7m s GLU 96 Cb -0.01 0.37 -0.00 0.00 0.02 0.00 0.00 34.13 34.50 2e7m s GLU 96 CO -0.06 -0.38 0.16 0.41 -1.84 0.00 0.00 175.26 173.55 2e7m n GLY 97 N -0.28 3.15 3.22 -3.83 0.00 -0.71 -4.36 105.19 102.37 2e7m n GLY 97 Ca -0.08 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.34 -0.28 -0.03 1.61 0.40 -1.26 -2.37 117.98 112.71 2e7m s PHE 98 Ca 0.14 0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 57.07 2e7m s PHE 98 Cb 0.00 0.11 0.03 0.00 0.51 0.00 0.00 43.02 43.67 2e7m s PHE 98 CO 0.10 -0.27 0.06 0.54 0.70 0.00 0.00 175.22 176.35 2e7m s VAL 99 N -0.48 -0.06 -0.20 -0.44 0.11 -0.80 -4.56 120.40 113.97 2e7m s VAL 99 Ca -0.06 0.22 -0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2e7m s VAL 99 Cb -0.04 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2e7m s VAL 99 CO 0.02 0.09 0.08 0.20 -3.33 0.00 0.00 175.10 172.16 2e7m s ASN 100 N 1.15 5.68 -0.11 3.54 -0.87 -1.26 -1.46 114.94 121.62 2e7m s ASN 100 Ca -0.08 0.06 0.02 0.00 -1.57 0.00 0.00 52.86 51.29 2e7m s ASN 100 Cb -0.13 -1.99 0.01 0.00 -0.02 0.00 0.00 41.25 39.12 2e7m s ASN 100 CO -0.04 0.13 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.75 2e7m s VAL 101 N 0.65 1.69 -0.08 1.60 1.01 -0.63 -2.10 120.40 122.54 2e7m s VAL 101 Ca 0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2e7m s VAL 101 Cb -0.13 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2e7m s VAL 101 CO 0.01 0.48 -0.04 -0.89 0.00 0.00 0.00 175.10 174.67 2e7m s THR 102 N 0.78 3.98 -0.39 3.92 2.01 0.07 -2.06 115.64 123.95 2e7m s THR 102 Ca -0.10 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 2e7m s THR 102 Cb -0.16 -2.65 0.10 0.00 0.01 0.00 0.00 72.50 69.80 2e7m s THR 102 CO 0.01 0.60 0.17 -0.69 -0.69 0.00 0.00 174.62 174.03 2e7m s VAL 103 N -0.82 3.34 0.35 3.82 1.01 -1.17 -1.37 120.40 125.58 2e7m s VAL 103 Ca 0.12 -1.86 -0.26 0.00 0.00 0.00 0.00 61.98 59.98 2e7m s VAL 103 Cb -0.11 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 2e7m s VAL 103 CO 0.02 -0.57 1.05 -0.54 0.00 0.00 0.00 175.10 175.06 2e7m s LYS 104 N 1.19 4.38 0.58 2.72 -0.14 0.15 -3.74 119.74 124.88 2e7m s LYS 104 Ca 0.05 1.57 -0.18 0.00 -1.36 0.00 0.00 55.97 56.05 2e7m s LYS 104 Cb -0.22 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 2e7m s LYS 104 CO -0.03 0.04 1.12 -1.25 -0.76 0.00 0.00 175.35 174.47 2e7m s PRO 105 N -2.09 3.19 -0.21 -1.68 0.04 -1.26 -2.07 135.00 130.93 2e7m s PRO 105 Ca 0.52 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 2e7m s PRO 105 Cb -0.25 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2e7m s PRO 105 CO 0.31 -0.97 2.19 0.00 0.04 0.00 0.00 177.00 178.58 2e7m s ALA 106 N -1.94 2.78 0.00 8.56 0.00 -1.26 -4.50 121.76 125.40 2e7m s ALA 106 Ca 0.71 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.42 2e7m s ALA 106 Cb -0.23 -4.06 -0.23 0.00 0.00 0.00 0.00 23.12 18.60 2e7m s ALA 106 CO 0.31 -2.72 3.15 0.54 0.00 0.00 0.00 175.76 177.04 2e7m n ARG 107 N 8.68 1.69 -2.29 0.00 1.74 -1.26 -4.84 116.66 120.37 2e7m n ARG 107 Ca 0.29 -0.84 -0.35 0.00 -0.77 0.00 0.00 57.85 56.18 2e7m n ARG 107 Cb 0.45 -1.92 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 2e7m n ARG 107 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2e7m s SER 108 N 2.15 5.78 0.42 0.55 0.01 -1.26 -4.75 113.70 116.60 2e7m s SER 108 Ca 0.56 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2e7m s SER 108 Cb 0.27 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2e7m s SER 108 CO 0.00 -2.14 0.00 0.61 0.41 0.00 0.00 173.24 172.12 2e7m n GLY 109 N 6.65 -3.94 3.76 3.44 0.00 -1.26 -4.87 105.19 108.96 2e7m n GLY 109 Ca 0.33 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.74 4.44 0.12 1.61 0.04 -1.26 -5.00 135.00 130.21 2e7m s PRO 110 Ca 0.00 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2e7m s PRO 110 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 2e7m s PRO 110 CO 0.00 -0.11 1.04 -1.54 0.04 0.00 0.00 177.00 176.43 2e7m s SER 111 N -0.29 7.35 -0.10 6.66 1.04 -1.26 -5.04 113.70 122.06 2e7m s SER 111 Ca 0.51 1.92 -0.09 0.00 0.48 0.00 0.00 55.95 58.76 2e7m s SER 111 Cb -0.37 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.19 2e7m s SER 111 CO 0.45 -0.19 0.26 -0.44 0.98 0.00 0.00 173.24 174.30 2e7m s SER 112 N 0.18 -0.27 0.00 7.02 0.01 -1.26 -5.29 113.70 114.09 2e7m s SER 112 Ca 0.50 0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.27 2e7m s SER 112 Cb -0.26 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2e7m s SER 112 CO 0.31 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.47