#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 3.11 -0.75 1.61 0.01 -1.26 -5.08 113.70 111.34 2e7m s SER 2 Ca 0.00 -0.81 -0.27 0.00 1.31 0.00 0.00 55.95 56.18 2e7m s SER 2 Cb 0.00 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.29 2e7m s SER 2 CO 0.00 -0.21 1.40 -0.94 0.41 0.00 0.00 173.24 173.91 2e7m s SER 3 N 1.58 6.02 0.40 2.44 1.04 -1.26 -4.86 113.70 119.07 2e7m s SER 3 Ca -0.01 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2e7m s SER 3 Cb -0.16 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2e7m s SER 3 CO -0.07 -1.92 0.00 0.61 0.98 0.00 0.00 173.24 172.84 2e7m n GLY 4 N 5.59 -1.72 3.23 7.32 0.00 -1.26 -5.00 105.19 113.35 2e7m n GLY 4 Ca 0.09 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2e7m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e7m s SER 5 N -4.50 0.54 0.80 1.61 1.04 -1.26 -5.17 113.70 106.75 2e7m s SER 5 Ca 0.00 -1.45 -0.05 0.00 0.48 0.00 0.00 55.95 54.93 2e7m s SER 5 Cb 0.00 0.39 0.10 0.00 0.10 0.00 0.00 66.02 66.61 2e7m s SER 5 CO 0.00 -0.87 0.62 -1.20 0.98 0.00 0.00 173.24 172.78 2e7m n SER 6 N -0.51 0.37 0.00 7.02 7.64 -1.26 -5.10 113.62 121.78 2e7m n SER 6 Ca 0.03 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.49 2e7m n SER 6 Cb 0.65 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2e7m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7m n GLY 7 N 0.65 1.17 0.09 0.23 0.00 -1.26 -4.93 105.19 101.15 2e7m n GLY 7 Ca 0.09 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 0.13 -1.55 1.61 -0.04 -1.26 -4.72 135.00 129.17 2e7m n PRO 8 Ca 0.00 0.37 -0.40 0.00 -0.04 0.00 0.00 63.50 63.43 2e7m n PRO 8 Cb 0.00 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 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 -2.01 1.31 -4.35 0.54 3.00 -1.26 -4.91 116.66 108.97 2e7m n ARG 9 Ca 0.02 0.21 -0.18 0.00 -0.00 0.00 0.00 57.85 57.91 2e7m n ARG 9 Cb 0.21 -3.16 -0.10 0.00 0.00 0.00 0.00 32.46 29.41 2e7m n ARG 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2e7m s THR 10 N 10.18 0.59 0.84 5.15 -4.23 -1.26 -5.05 115.64 121.85 2e7m s THR 10 Ca 1.03 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.42 2e7m s THR 10 Cb -0.37 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 70.95 2e7m s THR 10 CO 0.33 0.00 1.15 0.68 -0.54 0.00 0.00 174.62 176.24 2e7m s VAL 11 N -3.64 2.19 0.18 2.29 -7.23 -1.26 -4.94 120.40 107.98 2e7m s VAL 11 Ca 0.36 0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 60.55 2e7m s VAL 11 Cb 0.07 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 2e7m s VAL 11 CO 0.15 -0.08 0.42 -0.54 -0.31 0.00 0.00 175.10 174.73 2e7m s LYS 12 N -5.42 3.62 -0.48 4.82 1.02 0.11 -4.88 119.74 118.54 2e7m s LYS 12 Ca 0.62 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 56.31 2e7m s LYS 12 Cb -0.13 -2.80 0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2e7m s LYS 12 CO 0.51 0.41 0.78 -1.21 -0.92 0.00 0.00 175.35 174.92 2e7m s GLU 13 N -2.90 3.32 -0.09 1.68 2.02 -1.26 -2.31 118.70 119.16 2e7m s GLU 13 Ca 0.42 -0.31 -0.11 0.00 0.02 0.00 0.00 54.97 54.99 2e7m s GLU 13 Cb -0.12 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.07 2e7m s GLU 13 CO 0.26 -1.21 0.25 -0.51 0.02 0.00 0.00 175.26 174.07 2e7m s LEU 14 N 3.27 4.39 -0.87 1.80 1.43 -1.19 -4.90 118.68 122.61 2e7m s LEU 14 Ca 0.26 0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 53.82 2e7m s LEU 14 Cb -0.14 -2.29 0.16 0.00 0.03 0.00 0.00 46.19 43.96 2e7m s LEU 14 CO 0.20 0.33 0.97 -0.89 0.23 0.00 0.00 176.35 177.18 2e7m s THR 15 N -0.76 5.08 -0.40 5.49 2.01 -1.10 -4.61 115.64 121.34 2e7m s THR 15 Ca 0.18 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.08 2e7m s THR 15 Cb -0.14 -4.65 0.01 0.00 0.01 0.00 0.00 72.50 67.74 2e7m s THR 15 CO 0.07 -1.30 0.62 -0.69 -0.69 0.00 0.00 174.62 172.62 2e7m s VAL 16 N 1.71 4.88 -0.06 3.82 1.01 -1.25 -2.94 120.40 127.57 2e7m s VAL 16 Ca 0.26 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2e7m s VAL 16 Cb -0.08 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2e7m s VAL 16 CO -0.08 -0.45 -0.12 -0.55 0.00 0.00 0.00 175.10 173.90 2e7m s SER 17 N 1.90 1.69 0.02 3.32 0.15 0.71 -4.00 113.70 117.50 2e7m s SER 17 Ca 0.22 -0.28 -0.18 0.00 0.70 0.00 0.00 55.95 56.42 2e7m s SER 17 Cb -0.14 -0.71 -0.30 0.00 -1.71 0.00 0.00 66.02 63.16 2e7m s SER 17 CO 0.17 0.05 1.04 0.00 1.20 0.00 0.00 173.24 175.69 2e7m h ALA 18 N 6.81 -0.04 0.00 5.45 0.00 -1.83 0.18 119.26 129.83 2e7m h ALA 18 Ca -0.32 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2e7m h ALA 18 Cb 1.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2e7m h ALA 18 CO 0.48 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.69 2e7m n GLY 19 N 1.44 0.55 3.61 0.00 0.00 -1.26 -4.46 105.19 105.07 2e7m n GLY 19 Ca -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.85 -0.11 0.26 1.61 2.15 -1.26 -5.14 116.67 111.33 2e7m s ASP 20 Ca 0.00 -0.06 -0.30 0.00 0.43 0.00 0.00 52.55 52.62 2e7m s ASP 20 Cb 0.00 0.16 -0.13 0.00 -0.30 0.00 0.00 42.92 42.65 2e7m s ASP 20 CO 0.00 -0.28 1.33 -0.46 -0.17 0.00 0.00 175.17 175.59 2e7m n ASN 21 N -0.25 2.54 -4.42 -0.34 0.23 -1.26 -4.81 115.26 106.95 2e7m n ASN 21 Ca -0.03 1.16 -0.33 0.00 -0.53 0.00 0.00 54.58 54.85 2e7m n ASN 21 Cb 0.60 -1.42 -0.14 0.00 -2.08 0.00 0.00 39.78 36.75 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 -0.10 2.61 -0.09 -4.53 2.01 -0.86 -5.03 118.68 112.69 2e7m s LEU 22 Ca 0.65 -0.27 0.02 0.00 0.01 0.00 0.00 54.13 54.53 2e7m s LEU 22 Cb -0.65 -1.53 0.01 0.00 0.01 0.00 0.00 46.19 44.04 2e7m s LEU 22 CO 0.54 0.30 -0.13 -0.63 1.01 0.00 0.00 176.35 177.43 2e7m s ILE 23 N -0.48 1.31 0.33 -0.59 1.01 -1.26 -0.69 121.20 120.84 2e7m s ILE 23 Ca 0.06 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2e7m s ILE 23 Cb -0.12 -1.21 -0.06 0.00 0.01 0.00 0.00 42.46 41.09 2e7m s ILE 23 CO 0.02 0.40 -0.07 0.27 0.00 0.00 0.00 174.94 175.56 2e7m s ILE 24 N 0.89 2.47 -0.08 2.92 -4.36 -0.47 -4.99 121.20 117.58 2e7m s ILE 24 Ca -0.10 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.16 2e7m s ILE 24 Cb -0.15 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.92 2e7m s ILE 24 CO 0.01 -0.24 -0.06 -0.89 0.24 0.00 0.00 174.94 173.99 2e7m s THR 25 N -2.55 0.81 0.84 8.37 2.01 -1.25 -0.67 115.64 123.19 2e7m s THR 25 Ca 0.33 -0.21 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 2e7m s THR 25 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2e7m s THR 25 CO 0.17 0.31 0.24 0.18 -0.69 0.00 0.00 174.62 174.84 2e7m n LEU 26 N 4.49 -0.85 0.27 4.42 4.77 -0.90 -2.41 117.00 126.78 2e7m n LEU 26 Ca -0.17 0.43 0.17 0.00 -0.03 0.00 0.00 56.01 56.41 2e7m n LEU 26 Cb 0.51 -1.12 0.69 0.00 -2.33 0.00 0.00 43.42 41.16 2e7m n LEU 26 CO 0.19 -3.85 0.99 1.55 -1.33 0.00 0.00 177.39 174.94 2e7m h PRO 27 N -0.89 0.00 -5.20 3.23 0.13 -1.95 -3.42 132.00 123.90 2e7m h PRO 27 Ca -0.44 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 2e7m h PRO 27 Cb 1.32 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 2e7m h PRO 27 CO 0.36 0.00 1.71 -0.25 -0.23 0.00 0.00 178.00 179.60 2e7m n ASP 28 N -3.01 0.88 -0.53 1.44 8.00 -1.01 -4.73 116.55 117.58 2e7m n ASP 28 Ca 0.01 0.01 0.06 0.00 0.71 0.00 0.00 54.79 55.57 2e7m n ASP 28 Cb 0.29 -1.11 0.19 0.00 -0.02 0.00 0.00 41.12 40.48 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 11.90 2.06 -4.29 -2.24 0.23 -1.26 -3.96 115.26 117.70 2e7m n ASN 29 Ca 0.58 -3.64 -0.31 0.00 -0.53 0.00 0.00 54.58 50.68 2e7m n ASN 29 Cb 0.17 -0.52 -0.16 0.00 -2.08 0.00 0.00 39.78 37.19 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 -3.13 2.31 -0.03 -3.83 2.02 -1.26 -2.96 118.70 111.81 2e7m s GLU 30 Ca 0.37 -0.92 -0.05 0.00 0.02 0.00 0.00 54.97 54.40 2e7m s GLU 30 Cb 0.35 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.49 2e7m s GLU 30 CO -0.03 0.48 0.12 0.54 0.02 0.00 0.00 175.26 176.40 2e7m s VAL 31 N -0.42 0.03 -0.36 2.63 0.11 -1.20 -4.98 120.40 116.21 2e7m s VAL 31 Ca 0.04 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 2e7m s VAL 31 Cb -0.12 -0.26 0.10 0.00 -1.53 0.00 0.00 36.38 34.57 2e7m s VAL 31 CO 0.01 -0.13 0.10 -0.70 -3.33 0.00 0.00 175.10 171.05 2e7m s GLU 32 N -0.41 1.79 0.53 1.54 2.12 -1.26 -1.68 118.70 121.34 2e7m s GLU 32 Ca -0.05 -1.79 -0.06 0.00 0.36 0.00 0.00 54.97 53.44 2e7m s GLU 32 Cb -0.03 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 2e7m s GLU 32 CO 0.00 -0.95 0.85 -0.51 -0.54 0.00 0.00 175.26 174.11 2e7m s LEU 33 N 1.03 3.44 0.01 2.70 1.43 0.62 -4.87 118.68 123.04 2e7m s LEU 33 Ca 0.08 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 54.03 2e7m s LEU 33 Cb -0.21 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 2e7m s LEU 33 CO -0.06 -0.80 0.02 -0.75 0.23 0.00 0.00 176.35 175.00 2e7m s LYS 34 N -4.87 0.32 0.02 1.70 2.20 -1.26 -0.94 119.74 116.91 2e7m s LYS 34 Ca 0.51 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 2e7m s LYS 34 Cb -0.10 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 2e7m s LYS 34 CO 0.46 -0.06 -0.01 0.00 -0.36 0.00 0.00 175.35 175.37 2e7m s ALA 35 N -1.25 3.23 -0.21 3.13 0.00 -0.77 -4.21 121.76 121.69 2e7m s ALA 35 Ca -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2e7m s ALA 35 Cb -0.08 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.84 2e7m s ALA 35 CO -0.00 0.65 0.02 -0.06 0.00 0.00 0.00 175.76 176.38 2e7m s PHE 36 N -1.13 1.30 -0.15 0.00 0.40 0.61 -4.96 117.98 114.06 2e7m s PHE 36 Ca 0.21 -1.06 0.01 0.00 -0.60 0.00 0.00 56.93 55.48 2e7m s PHE 36 Cb -0.11 -1.16 0.00 0.00 0.51 0.00 0.00 43.02 42.26 2e7m s PHE 36 CO 0.12 -0.65 -0.17 0.54 0.70 0.00 0.00 175.22 175.75 2e7m s VAL 37 N 1.76 2.48 0.07 -0.44 0.11 -1.25 -0.20 120.40 122.93 2e7m s VAL 37 Ca -0.01 -0.84 0.08 0.00 -2.93 0.00 0.00 61.98 58.28 2e7m s VAL 37 Cb -0.17 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.62 2e7m s VAL 37 CO -0.09 0.53 -0.22 0.00 -3.33 0.00 0.00 175.10 171.99 2e7m s ALA 38 N 0.82 1.90 0.65 1.54 0.00 -1.15 -3.53 121.76 121.98 2e7m s ALA 38 Ca -0.06 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 2e7m s ALA 38 Cb -0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2e7m s ALA 38 CO -0.01 0.41 1.11 -1.25 0.00 0.00 0.00 175.76 176.03 2e7m s PRO 39 N -1.53 2.83 0.36 0.00 0.04 -1.26 -2.72 135.00 132.72 2e7m s PRO 39 Ca 0.08 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 2e7m s PRO 39 Cb -0.09 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2e7m s PRO 39 CO 0.03 -1.23 1.18 0.00 0.04 0.00 0.00 177.00 177.03 2e7m s ALA 40 N -2.30 3.27 0.77 8.56 0.00 -1.23 -5.02 121.76 125.82 2e7m s ALA 40 Ca 0.67 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.54 2e7m s ALA 40 Cb -0.21 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.58 2e7m s ALA 40 CO 0.41 -0.48 1.09 -1.25 0.00 0.00 0.00 175.76 175.53 2e7m s PRO 41 N -2.04 2.25 0.00 0.00 0.04 -1.26 -5.06 135.00 128.93 2e7m s PRO 41 Ca 0.53 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2e7m s PRO 41 Cb -0.33 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2e7m s PRO 41 CO 0.42 -1.65 0.00 -0.35 0.04 0.00 0.00 177.00 175.46 2e7m n PRO 42 N -3.53 -0.86 0.12 0.56 -0.04 -1.23 -4.94 135.00 125.09 2e7m n PRO 42 Ca 0.09 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 2e7m n PRO 42 Cb 0.53 0.00 0.32 0.00 -0.04 0.00 0.00 33.50 34.31 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 0.00 0.00 0.52 3.04 -2.06 -3.39 116.25 112.93 2e7m h VAL 43 Ca 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2e7m h VAL 43 Cb 0.00 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2e7m h VAL 43 CO 0.00 0.00 -0.21 -0.62 -1.01 0.00 0.00 177.57 175.73 2e7m n GLU 44 N -2.43 0.12 -2.47 4.17 -0.58 -1.26 -4.98 120.64 113.20 2e7m n GLU 44 Ca 0.05 0.13 -0.36 0.00 -0.42 0.00 0.00 57.16 56.55 2e7m n GLU 44 Cb 0.46 -0.80 -0.03 0.00 -0.57 0.00 0.00 31.44 30.50 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 -1.42 3.58 -0.06 2.62 2.01 -1.26 -5.06 115.64 116.05 2e7m s THR 45 Ca -0.06 1.17 -0.19 0.00 0.31 0.00 0.00 61.69 62.92 2e7m s THR 45 Cb 0.01 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 68.97 2e7m s THR 45 CO 0.09 -0.03 0.44 0.28 -0.69 0.00 0.00 174.62 174.71 2e7m s THR 46 N -1.67 0.03 0.54 -0.82 -1.32 -1.26 -3.52 115.64 107.61 2e7m s THR 46 Ca 0.60 -0.25 -0.06 0.00 -1.21 0.00 0.00 61.69 60.78 2e7m s THR 46 Cb -0.23 -0.72 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 2e7m s THR 46 CO 0.28 -0.14 0.85 -0.31 -2.21 0.00 0.00 174.62 173.10 2e7m s TYR 47 N -0.92 3.43 -0.08 9.09 2.02 -1.26 -5.06 117.35 124.57 2e7m s TYR 47 Ca -0.10 0.77 -0.06 0.00 -0.37 0.00 0.00 57.07 57.31 2e7m s TYR 47 Cb -0.03 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 2e7m s TYR 47 CO 0.05 -0.55 0.17 1.21 -1.57 0.00 0.00 175.55 174.86 2e7m s ASN 48 N -4.20 6.41 -0.34 2.29 2.47 -1.26 -5.05 114.94 115.25 2e7m s ASN 48 Ca 0.51 0.46 -0.05 0.00 0.42 0.00 0.00 52.86 54.19 2e7m s ASN 48 Cb -0.10 -2.06 0.05 0.00 -1.45 0.00 0.00 41.25 37.69 2e7m s ASN 48 CO 0.46 0.36 0.10 -0.31 -3.72 0.00 0.00 177.10 173.99 2e7m s TYR 49 N -1.13 3.29 -0.29 0.43 2.02 -1.26 -4.24 117.35 116.17 2e7m s TYR 49 Ca 0.19 -1.59 0.03 0.00 -0.37 0.00 0.00 57.07 55.33 2e7m s TYR 49 Cb -0.12 -2.37 0.08 0.00 -0.40 0.00 0.00 41.96 39.14 2e7m s TYR 49 CO 0.09 -0.77 -0.03 -2.00 -1.57 0.00 0.00 175.55 171.27 2e7m s GLU 50 N 1.36 1.79 0.37 -0.62 2.12 -1.14 -4.17 118.70 118.41 2e7m s GLU 50 Ca -0.01 -1.48 -0.08 0.00 0.36 0.00 0.00 54.97 53.76 2e7m s GLU 50 Cb -0.20 -2.92 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 2e7m s GLU 50 CO 0.02 -0.73 0.69 -1.58 -0.54 0.00 0.00 175.26 173.11 2e7m s TRP 51 N 1.09 3.48 -0.12 5.30 0.52 0.85 -0.54 118.94 129.53 2e7m s TRP 51 Ca -0.00 0.85 -0.29 0.00 0.02 0.00 0.00 56.10 56.68 2e7m s TRP 51 Cb -0.19 -2.29 0.07 0.00 -1.15 0.00 0.00 33.47 29.91 2e7m s TRP 51 CO -0.07 -0.02 0.70 -0.80 0.02 0.00 0.00 176.95 176.78 2e7m s ASN 52 N -3.28 -0.67 -0.39 2.95 0.01 -1.13 -4.21 114.94 108.21 2e7m s ASN 52 Ca 0.48 0.91 -0.16 0.00 -0.71 0.00 0.00 52.86 53.38 2e7m s ASN 52 Cb -0.10 0.79 0.01 0.00 0.41 0.00 0.00 41.25 42.36 2e7m s ASN 52 CO 0.32 -0.50 0.41 -0.22 -1.51 0.00 0.00 177.10 175.60 2e7m s LEU 53 N -0.74 4.70 -0.10 0.60 2.96 -1.26 -1.19 118.68 123.65 2e7m s LEU 53 Ca -0.08 -0.50 0.14 0.00 -0.22 0.00 0.00 54.13 53.48 2e7m s LEU 53 Cb -0.01 -2.37 -0.21 0.00 0.50 0.00 0.00 46.19 44.10 2e7m s LEU 53 CO 0.07 -0.48 0.17 2.30 -1.32 0.00 0.00 176.35 177.09 2e7m n ILE 54 N 5.35 0.61 -3.97 6.68 -0.00 -1.14 -4.92 119.36 121.97 2e7m n ILE 54 Ca -0.08 -0.52 -0.29 0.00 -0.00 0.00 0.00 62.75 61.86 2e7m n ILE 54 Cb 0.48 -0.31 -0.16 0.00 -0.00 0.00 0.00 39.64 39.65 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 -4.43 2.77 -0.18 7.28 0.15 -1.24 -5.02 113.70 113.02 2e7m s SER 55 Ca -0.07 -0.57 -0.31 0.00 0.70 0.00 0.00 55.95 55.71 2e7m s SER 55 Cb 0.07 -1.07 0.14 0.00 -1.71 0.00 0.00 66.02 63.45 2e7m s SER 55 CO 0.63 -0.11 1.12 -1.38 1.20 0.00 0.00 173.24 174.70 2e7m s HIS 56 N 1.54 -0.24 0.13 3.44 -3.43 -1.26 -0.66 115.29 114.80 2e7m s HIS 56 Ca 0.03 0.35 -0.31 0.00 -0.80 0.00 0.00 55.06 54.33 2e7m s HIS 56 Cb -0.14 0.48 -0.08 0.00 -1.43 0.00 0.00 32.58 31.41 2e7m s HIS 56 CO -0.09 -0.25 1.35 -1.25 -2.00 0.00 0.00 174.74 172.50 2e7m s PRO 57 N -1.49 4.35 0.60 -0.38 0.04 -1.25 -4.88 135.00 131.99 2e7m s PRO 57 Ca 0.04 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.39 2e7m s PRO 57 Cb -0.01 -3.25 1.29 0.00 0.04 0.00 0.00 34.50 32.58 2e7m s PRO 57 CO -0.03 -0.38 1.70 0.00 0.04 0.00 0.00 177.00 178.33 2e7m h THR 58 N 4.17 0.21 -0.30 1.26 1.03 -2.01 0.67 112.91 117.94 2e7m h THR 58 Ca -0.43 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 65.88 2e7m h THR 58 Cb 1.21 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 2e7m h THR 58 CO 0.84 0.00 -0.21 -0.78 -0.01 0.00 0.00 175.52 175.35 2e7m h ASP 59 N 0.00 0.57 -1.62 0.00 3.58 -1.99 -3.45 116.42 113.51 2e7m h ASP 59 Ca 0.28 -0.19 -0.59 0.00 0.42 0.00 0.00 57.03 56.96 2e7m h ASP 59 Cb 1.71 -0.15 0.15 0.00 1.72 0.00 0.00 39.33 42.75 2e7m h ASP 59 CO -0.00 0.79 -0.92 0.00 -2.88 0.00 0.00 179.24 176.22 2e7m n TYR 60 N -4.13 -2.08 0.00 0.28 9.36 0.23 -4.91 117.16 115.91 2e7m n TYR 60 Ca 0.00 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.80 2e7m n TYR 60 Cb 0.40 -1.68 0.00 0.00 -0.63 0.00 0.00 39.34 37.43 2e7m n TYR 60 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2e7m n GLN 61 N 1.29 0.68 -0.98 2.98 6.02 -1.26 -5.04 117.38 121.07 2e7m n GLN 61 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.74 2e7m n GLN 61 Cb 0.39 -0.69 0.04 0.00 1.02 0.00 0.00 30.24 31.00 2e7m n GLN 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7m n GLY 62 N 1.87 -4.54 3.11 1.08 0.00 -1.26 -4.97 105.19 100.47 2e7m n GLY 62 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.95 2.29 0.04 1.61 -1.05 -1.26 -5.10 118.70 113.27 2e7m s GLU 63 Ca 0.39 -0.62 -0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2e7m s GLU 63 Cb -0.17 -1.80 -0.04 0.00 -0.44 0.00 0.00 34.13 31.68 2e7m s GLU 63 CO 0.81 0.09 0.17 0.42 0.95 0.00 0.00 175.26 177.70 2e7m s ILE 64 N 0.53 5.23 -0.36 1.83 1.01 -1.26 -4.74 121.20 123.43 2e7m s ILE 64 Ca -0.16 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.19 2e7m s ILE 64 Cb -0.17 -3.50 0.73 0.00 0.01 0.00 0.00 42.46 39.53 2e7m s ILE 64 CO 0.06 0.21 1.84 0.29 0.00 0.00 0.00 174.94 177.34 2e7m n LYS 65 N 0.57 3.35 -2.02 2.79 5.02 -1.26 -4.89 118.16 121.72 2e7m n LYS 65 Ca -0.08 -3.05 -0.09 0.00 -2.02 0.00 0.00 58.31 53.08 2e7m n LYS 65 Cb 0.52 -2.21 -0.02 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.40 -2.00 -2.57 1.97 6.02 -1.26 -3.22 117.38 115.93 2e7m n GLN 66 Ca 0.46 0.45 -0.24 0.00 -0.01 0.00 0.00 57.00 57.66 2e7m n GLN 66 Cb 1.47 -4.88 0.02 0.00 1.02 0.00 0.00 30.24 27.88 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 -0.51 0.10 0.05 1.08 0.00 -1.26 -0.11 105.19 104.54 2e7m n GLY 67 Ca -0.10 0.71 0.03 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.15 0.20 -4.16 1.61 -0.00 -1.20 -4.13 115.22 107.39 2e7m n HIS 68 Ca -0.06 0.10 -0.16 0.00 -0.00 0.00 0.00 57.72 57.61 2e7m n HIS 68 Cb 0.43 -0.63 -0.02 0.00 -0.00 0.00 0.00 29.99 29.76 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 -1.69 1.28 0.24 -0.41 5.02 -1.26 -4.57 118.16 116.77 2e7m n LYS 69 Ca -0.00 -1.85 0.08 0.00 -2.02 0.00 0.00 58.31 54.52 2e7m n LYS 69 Cb 0.05 0.40 0.59 0.00 -0.02 0.00 0.00 35.03 36.06 2e7m n LYS 69 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2e7m h GLN 70 N 0.00 0.00 -6.16 1.97 4.15 -1.88 -3.43 115.11 109.76 2e7m h GLN 70 Ca -0.20 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.57 2e7m h GLN 70 Cb 0.65 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.24 2e7m h GLN 70 CO 0.33 0.17 -0.61 0.95 -1.93 0.00 0.00 178.83 177.75 2e7m s THR 71 N -4.38 4.45 -0.16 2.39 -4.23 -1.26 -1.84 115.64 110.60 2e7m s THR 71 Ca -0.03 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2e7m s THR 71 Cb 0.14 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.91 2e7m s THR 71 CO 0.65 0.21 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.56 2e7m s LEU 72 N -2.10 1.87 -0.13 4.79 0.20 -0.12 -4.65 118.68 118.54 2e7m s LEU 72 Ca 0.26 -0.56 -0.03 0.00 0.69 0.00 0.00 54.13 54.49 2e7m s LEU 72 Cb -0.12 -1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 44.32 2e7m s LEU 72 CO 0.18 -0.04 -0.02 0.20 -0.29 0.00 0.00 176.35 176.38 2e7m s ASN 73 N 1.41 5.01 0.25 3.68 0.02 -1.26 -0.27 114.94 123.77 2e7m s ASN 73 Ca 0.05 -0.01 0.11 0.00 -1.02 0.00 0.00 52.86 51.98 2e7m s ASN 73 Cb -0.13 -1.64 -0.05 0.00 0.02 0.00 0.00 41.25 39.45 2e7m s ASN 73 CO -0.11 0.25 -0.15 -0.76 0.02 0.00 0.00 177.10 176.35 2e7m s LEU 74 N -0.14 2.75 0.18 0.60 1.02 -0.67 -4.74 118.68 117.67 2e7m s LEU 74 Ca 0.04 -0.85 -0.09 0.00 0.02 0.00 0.00 54.13 53.24 2e7m s LEU 74 Cb -0.13 -1.32 -0.01 0.00 0.02 0.00 0.00 46.19 44.75 2e7m s LEU 74 CO 0.02 0.06 0.31 -0.94 0.02 0.00 0.00 176.35 175.82 2e7m s SER 75 N -3.30 0.02 -0.95 2.29 1.04 -1.26 -3.27 113.70 108.28 2e7m s SER 75 Ca 0.28 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 2e7m s SER 75 Cb -0.06 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2e7m s SER 75 CO 0.15 -0.93 0.10 0.00 0.98 0.00 0.00 173.24 173.53 2e7m n GLN 76 N -0.25 -2.57 -2.30 4.02 6.02 -1.25 -4.59 117.38 116.46 2e7m n GLN 76 Ca -0.06 0.49 -0.36 0.00 -0.01 0.00 0.00 57.00 57.06 2e7m n GLN 76 Cb 0.63 -5.09 -0.01 0.00 1.02 0.00 0.00 30.24 26.79 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 -5.70 3.91 0.00 1.08 1.43 -1.16 -4.29 118.68 113.95 2e7m s LEU 77 Ca 0.08 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 2e7m s LEU 77 Cb -0.04 -4.39 0.03 0.00 0.03 0.00 0.00 46.19 41.82 2e7m s LEU 77 CO 0.10 -0.99 0.26 -1.20 0.23 0.00 0.00 176.35 174.75 2e7m n SER 78 N -0.80 2.53 -4.65 2.29 7.64 -1.26 -4.78 113.62 114.59 2e7m n SER 78 Ca 0.09 -2.55 -0.43 0.00 1.01 0.00 0.00 58.87 56.99 2e7m n SER 78 Cb 0.50 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 2e7m n SER 78 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2e7m s VAL 79 N -2.21 4.36 0.00 0.44 1.01 -1.26 -4.53 120.40 118.22 2e7m s VAL 79 Ca 0.19 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2e7m s VAL 79 Cb -0.02 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2e7m s VAL 79 CO 0.12 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2e7m n GLY 80 N 3.69 1.05 3.77 4.51 0.00 -1.23 -4.95 105.19 112.03 2e7m n GLY 80 Ca 0.13 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 4.39 -0.08 0.99 2.96 -1.26 -2.81 118.68 122.88 2e7m s LEU 81 Ca 0.00 0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 2e7m s LEU 81 Cb 0.00 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 44.00 2e7m s LEU 81 CO 0.00 0.15 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.86 2e7m s TYR 82 N -0.26 0.80 -0.32 5.38 2.02 -0.60 -3.89 117.35 120.48 2e7m s TYR 82 Ca 0.26 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 56.63 2e7m s TYR 82 Cb -0.17 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2e7m s TYR 82 CO 0.13 -0.36 0.11 0.08 -1.57 0.00 0.00 175.55 173.95 2e7m s VAL 83 N 1.93 4.04 -0.29 0.71 1.01 0.16 -0.44 120.40 127.51 2e7m s VAL 83 Ca 0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2e7m s VAL 83 Cb -0.12 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2e7m s VAL 83 CO -0.06 -0.05 0.19 -0.36 0.00 0.00 0.00 175.10 174.82 2e7m s PHE 84 N 1.48 3.21 -0.42 5.22 0.08 -0.57 -2.87 117.98 124.11 2e7m s PHE 84 Ca 0.01 -0.06 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 2e7m s PHE 84 Cb -0.18 -2.39 0.04 0.00 -0.57 0.00 0.00 43.02 39.92 2e7m s PHE 84 CO 0.03 -0.25 0.30 0.21 -0.10 0.00 0.00 175.22 175.41 2e7m s LYS 85 N 1.73 2.90 -0.60 0.44 2.20 -0.34 -2.60 119.74 123.47 2e7m s LYS 85 Ca 0.07 -1.16 -0.25 0.00 -0.36 0.00 0.00 55.97 54.26 2e7m s LYS 85 Cb -0.16 -3.94 0.04 0.00 -1.51 0.00 0.00 37.83 32.26 2e7m s LYS 85 CO 0.10 -0.83 1.05 0.54 -0.36 0.00 0.00 175.35 175.85 2e7m s VAL 86 N 1.62 4.20 -0.39 4.02 0.11 -1.09 -2.83 120.40 126.03 2e7m s VAL 86 Ca 0.04 0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 59.17 2e7m s VAL 86 Cb -0.21 -4.66 0.02 0.00 -1.53 0.00 0.00 36.38 30.00 2e7m s VAL 86 CO 0.08 -1.33 0.81 -0.89 -3.33 0.00 0.00 175.10 170.44 2e7m s THR 87 N 4.44 4.67 -0.20 5.04 2.01 0.30 -0.62 115.64 131.28 2e7m s THR 87 Ca 0.32 0.79 -0.00 0.00 0.31 0.00 0.00 61.69 63.11 2e7m s THR 87 Cb -0.12 -4.27 0.05 0.00 0.01 0.00 0.00 72.50 68.17 2e7m s THR 87 CO 0.18 -0.55 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.83 2e7m s VAL 88 N 3.25 1.23 0.02 3.82 1.01 0.14 -2.86 120.40 127.01 2e7m s VAL 88 Ca 0.32 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2e7m s VAL 88 Cb -0.12 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2e7m s VAL 88 CO 0.19 -0.01 -0.09 -0.94 0.00 0.00 0.00 175.10 174.26 2e7m s SER 89 N 1.55 0.99 0.42 3.32 1.04 -1.26 0.17 113.70 119.94 2e7m s SER 89 Ca -0.02 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.13 2e7m s SER 89 Cb -0.17 -0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.84 2e7m s SER 89 CO -0.07 -0.03 0.10 -0.55 0.98 0.00 0.00 173.24 173.67 2e7m s SER 90 N -0.87 4.18 0.26 7.02 0.15 0.21 -4.53 113.70 120.13 2e7m s SER 90 Ca -0.02 -1.24 -0.09 0.00 0.70 0.00 0.00 55.95 55.30 2e7m s SER 90 Cb -0.06 -0.36 0.42 0.00 -1.71 0.00 0.00 66.02 64.30 2e7m s SER 90 CO 0.00 -0.54 1.58 -0.08 1.20 0.00 0.00 173.24 175.41 2e7m h GLU 91 N 1.55 0.00 -0.46 5.44 4.81 -2.02 -0.62 114.58 123.29 2e7m h GLU 91 Ca -0.43 -0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.46 2e7m h GLU 91 Cb 1.25 -0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.37 2e7m h GLU 91 CO 0.75 0.00 -0.70 0.27 -0.73 0.00 0.00 179.01 178.60 2e7m n ASN 92 N -5.57 3.64 -3.64 1.04 6.94 -1.26 -4.96 115.26 111.45 2e7m n ASN 92 Ca 0.14 -3.78 -0.11 0.00 -0.02 0.00 0.00 54.58 50.81 2e7m n ASN 92 Cb 0.47 -0.41 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2e7m s ALA 93 N -3.44 -0.97 -0.22 -2.53 0.00 -0.24 0.06 121.76 114.42 2e7m s ALA 93 Ca 0.46 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 2e7m s ALA 93 Cb 0.39 0.56 0.07 0.00 0.00 0.00 0.00 23.12 24.14 2e7m s ALA 93 CO -0.00 -0.57 0.55 0.12 0.00 0.00 0.00 175.76 175.86 2e7m s PHE 94 N -3.28 -0.79 -0.00 0.00 5.36 -0.98 0.66 117.98 118.94 2e7m s PHE 94 Ca -0.00 1.67 -0.29 0.00 -0.96 0.00 0.00 56.93 57.35 2e7m s PHE 94 Cb 0.01 0.41 0.08 0.00 -0.34 0.00 0.00 43.02 43.17 2e7m s PHE 94 CO -0.08 -0.41 0.70 0.20 -1.46 0.00 0.00 175.22 174.17 2e7m s GLY 95 N 1.29 -0.56 -0.09 13.12 0.00 0.13 -3.16 107.32 118.06 2e7m s GLY 95 Ca -0.08 1.15 -0.07 0.00 0.00 0.00 0.00 44.72 45.73 2e7m s GLY 95 CO -0.13 0.73 0.22 -0.54 0.00 0.00 0.00 173.10 173.38 2e7m s GLU 96 N -1.94 0.23 0.45 2.90 2.02 -1.26 0.23 118.70 121.34 2e7m s GLU 96 Ca -0.06 0.36 0.08 0.00 0.02 0.00 0.00 54.97 55.37 2e7m s GLU 96 Cb -0.00 0.05 0.01 0.00 0.10 0.00 0.00 34.13 34.28 2e7m s GLU 96 CO 0.02 -0.07 0.50 0.20 0.02 0.00 0.00 175.26 175.93 2e7m s GLY 97 N 0.44 2.05 -0.19 -1.39 0.00 0.21 -4.62 107.32 103.83 2e7m s GLY 97 Ca -0.03 -1.80 -0.08 0.00 0.00 0.00 0.00 44.72 42.82 2e7m s GLY 97 CO -0.02 -1.66 0.41 -1.36 0.00 0.00 0.00 173.10 170.47 2e7m s PHE 98 N -2.49 -0.72 -0.10 1.90 0.40 -1.26 -2.69 117.98 113.02 2e7m s PHE 98 Ca 0.51 1.43 -0.04 0.00 -0.60 0.00 0.00 56.93 58.23 2e7m s PHE 98 Cb -0.05 0.29 0.05 0.00 0.51 0.00 0.00 43.02 43.81 2e7m s PHE 98 CO 0.30 -0.43 0.20 0.54 0.70 0.00 0.00 175.22 176.54 2e7m s VAL 99 N 2.16 -0.20 -0.09 -0.44 0.11 -1.07 -4.65 120.40 116.22 2e7m s VAL 99 Ca -0.05 0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 59.20 2e7m s VAL 99 Cb -0.11 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2e7m s VAL 99 CO -0.13 0.10 0.13 0.54 -3.33 0.00 0.00 175.10 172.42 2e7m s ASN 100 N 1.84 6.24 -0.05 3.54 2.20 -1.26 -1.51 114.94 125.93 2e7m s ASN 100 Ca -0.03 0.40 0.03 0.00 -0.94 0.00 0.00 52.86 52.31 2e7m s ASN 100 Cb -0.12 -1.98 0.01 0.00 -2.00 0.00 0.00 41.25 37.17 2e7m s ASN 100 CO -0.07 0.37 -0.12 -0.69 -2.94 0.00 0.00 177.10 173.64 2e7m s VAL 101 N -1.09 1.11 -0.06 3.54 1.01 0.41 -2.04 120.40 123.28 2e7m s VAL 101 Ca 0.18 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 2e7m s VAL 101 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2e7m s VAL 101 CO 0.08 0.34 -0.02 -0.89 0.00 0.00 0.00 175.10 174.61 2e7m s THR 102 N 0.49 4.11 -0.34 3.92 2.01 0.14 -1.55 115.64 124.42 2e7m s THR 102 Ca -0.11 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 2e7m s THR 102 Cb -0.14 -2.73 0.08 0.00 0.01 0.00 0.00 72.50 69.71 2e7m s THR 102 CO 0.03 0.56 0.07 -0.69 -0.69 0.00 0.00 174.62 173.90 2e7m s VAL 103 N -0.90 2.93 0.36 3.82 1.01 -1.12 -1.37 120.40 125.12 2e7m s VAL 103 Ca 0.14 -1.77 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 2e7m s VAL 103 Cb -0.11 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 2e7m s VAL 103 CO 0.04 -0.37 0.96 -0.54 0.00 0.00 0.00 175.10 175.19 2e7m s LYS 104 N 1.15 4.45 0.70 2.72 -0.14 0.15 -3.47 119.74 125.30 2e7m s LYS 104 Ca 0.01 1.31 -0.13 0.00 -1.36 0.00 0.00 55.97 55.80 2e7m s LYS 104 Cb -0.21 -2.62 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 2e7m s LYS 104 CO -0.03 0.15 1.10 -1.25 -0.76 0.00 0.00 175.35 174.56 2e7m s PRO 105 N -2.37 2.63 -0.35 -1.68 0.04 -1.26 -2.11 135.00 129.89 2e7m s PRO 105 Ca 0.54 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 2e7m s PRO 105 Cb -0.17 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 2e7m s PRO 105 CO 0.22 -1.38 1.50 0.00 0.04 0.00 0.00 177.00 177.38 2e7m s ALA 106 N -2.53 3.10 -0.30 8.56 0.00 -1.26 -4.49 121.76 124.85 2e7m s ALA 106 Ca 0.65 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 2e7m s ALA 106 Cb -0.19 -3.91 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 2e7m s ALA 106 CO 0.46 -2.26 0.33 -0.98 0.00 0.00 0.00 175.76 173.31 2e7m s ARG 107 N 4.90 3.85 -0.00 0.00 1.70 -1.26 -4.90 118.95 123.24 2e7m s ARG 107 Ca 0.66 -0.19 0.06 0.00 -0.47 0.00 0.00 55.73 55.78 2e7m s ARG 107 Cb -0.18 -3.70 -0.07 0.00 -0.57 0.00 0.00 34.95 30.42 2e7m s ARG 107 CO 0.31 -0.33 0.20 -1.13 -1.08 0.00 0.00 175.30 173.26 2e7m n SER 108 N 5.28 1.60 0.00 -2.89 3.41 -1.26 -5.10 113.62 114.66 2e7m n SER 108 Ca -0.10 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 2e7m n SER 108 Cb 0.51 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 2e7m n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e7m n GLY 109 N 1.54 0.88 3.56 5.00 0.00 -1.26 -4.94 105.19 109.97 2e7m n GLY 109 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 2.59 0.34 1.61 0.04 -1.26 -4.95 135.00 133.37 2e7m s PRO 110 Ca 0.00 0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.25 2e7m s PRO 110 Cb 0.00 -4.75 -0.05 0.00 0.04 0.00 0.00 34.50 29.74 2e7m s PRO 110 CO 0.00 -3.08 0.06 -1.12 0.04 0.00 0.00 177.00 172.90 2e7m s SER 111 N 8.06 4.35 0.40 6.66 0.01 -1.26 -5.15 113.70 126.77 2e7m s SER 111 Ca 0.69 -0.92 0.04 0.00 1.31 0.00 0.00 55.95 57.06 2e7m s SER 111 Cb -0.09 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 2e7m s SER 111 CO 0.09 -0.26 0.08 -0.94 0.41 0.00 0.00 173.24 172.62 2e7m s SER 112 N -3.76 2.94 0.00 2.44 1.04 -1.26 -5.22 113.70 109.88 2e7m s SER 112 Ca 0.36 -1.56 0.24 0.00 0.48 0.00 0.00 55.95 55.47 2e7m s SER 112 Cb -0.01 0.27 1.41 0.00 0.10 0.00 0.00 66.02 67.79 2e7m s SER 112 CO 0.20 -0.79 1.78 0.61 0.98 0.00 0.00 173.24 176.03