#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 3.97 0.18 1.61 0.01 -1.26 -5.12 113.70 113.10 2e7m s SER 2 Ca 0.00 -0.31 -0.08 0.00 1.31 0.00 0.00 55.95 56.87 2e7m s SER 2 Cb 0.00 -1.47 -0.06 0.00 0.21 0.00 0.00 66.02 64.70 2e7m s SER 2 CO 0.00 0.20 0.47 -0.44 0.41 0.00 0.00 173.24 173.87 2e7m s SER 3 N 0.16 6.58 -0.33 2.44 0.01 -1.26 -5.04 113.70 116.26 2e7m s SER 3 Ca -0.07 0.78 -0.08 0.00 1.31 0.00 0.00 55.95 57.89 2e7m s SER 3 Cb -0.15 -2.17 0.22 0.00 0.21 0.00 0.00 66.02 64.13 2e7m s SER 3 CO 0.05 -0.00 1.13 0.61 0.41 0.00 0.00 173.24 175.44 2e7m n GLY 4 N 0.05 -1.80 2.49 3.44 0.00 -1.26 -5.17 105.19 102.94 2e7m n GLY 4 Ca -0.01 1.36 -0.20 0.00 0.00 0.00 0.00 46.02 47.17 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 2.55 -0.67 0.00 1.61 7.64 -1.26 -4.90 113.62 118.58 2e7m n SER 5 Ca 0.11 -1.17 0.08 0.00 1.01 0.00 0.00 58.87 58.90 2e7m n SER 5 Cb 0.66 -0.68 0.50 0.00 -1.01 0.00 0.00 64.21 63.68 2e7m n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2e7m n SER 6 N -3.86 0.00 -1.62 6.43 3.41 -1.26 -4.90 113.62 111.83 2e7m n SER 6 Ca 0.11 -1.00 -0.01 0.00 -0.26 0.00 0.00 58.87 57.71 2e7m n SER 6 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2e7m n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e7m n GLY 7 N 0.45 -1.39 3.77 5.00 0.00 -1.26 -5.04 105.19 106.71 2e7m n GLY 7 Ca 0.13 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2e7m n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7m s PRO 8 N -0.86 2.45 0.00 1.61 0.04 -1.26 -4.99 135.00 131.99 2e7m s PRO 8 Ca 0.02 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2e7m s PRO 8 Cb -0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2e7m s PRO 8 CO 0.07 -1.50 0.00 2.89 0.04 0.00 0.00 177.00 178.50 2e7m n ARG 9 N -3.12 0.00 -3.99 4.56 1.85 -1.26 -5.10 116.66 109.60 2e7m n ARG 9 Ca 0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.69 2e7m n ARG 9 Cb 0.53 -0.60 -0.04 0.00 -1.05 0.00 0.00 32.46 31.30 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 -1.42 5.06 0.37 8.89 -4.23 -1.26 -5.13 115.64 117.93 2e7m s THR 10 Ca 0.00 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 2e7m s THR 10 Cb 0.00 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 2e7m s THR 10 CO 0.00 -0.15 0.18 0.68 -0.54 0.00 0.00 174.62 174.79 2e7m s VAL 11 N -1.81 2.74 0.85 2.29 -7.23 -1.26 -4.91 120.40 111.07 2e7m s VAL 11 Ca 0.33 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 2e7m s VAL 11 Cb -0.10 -2.98 0.10 0.00 0.56 0.00 0.00 36.38 33.96 2e7m s VAL 11 CO 0.27 -0.10 1.10 -0.54 -0.31 0.00 0.00 175.10 175.52 2e7m s LYS 12 N -3.90 1.62 -0.39 4.82 1.02 -0.10 -4.85 119.74 117.97 2e7m s LYS 12 Ca 0.40 0.60 -0.06 0.00 0.02 0.00 0.00 55.97 56.93 2e7m s LYS 12 Cb -0.00 -1.87 0.08 0.00 -0.52 0.00 0.00 37.83 35.51 2e7m s LYS 12 CO 0.23 -1.93 0.19 -1.83 -0.92 0.00 0.00 175.35 171.09 2e7m s GLU 13 N -5.12 2.45 -0.19 1.68 -1.05 -1.26 -2.65 118.70 112.56 2e7m s GLU 13 Ca 0.62 -1.47 -0.08 0.00 -0.15 0.00 0.00 54.97 53.89 2e7m s GLU 13 Cb -0.15 -3.61 -0.04 0.00 -0.44 0.00 0.00 34.13 29.88 2e7m s GLU 13 CO 0.55 -0.90 0.08 -0.51 0.95 0.00 0.00 175.26 175.43 2e7m s LEU 14 N 1.34 3.91 -0.77 1.83 1.43 -0.97 -4.87 118.68 120.58 2e7m s LEU 14 Ca 0.02 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.01 2e7m s LEU 14 Cb -0.22 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.09 2e7m s LEU 14 CO 0.00 0.16 1.07 -0.89 0.23 0.00 0.00 176.35 176.93 2e7m s THR 15 N 0.44 4.36 -0.16 5.49 2.01 -0.97 -4.42 115.64 122.38 2e7m s THR 15 Ca 0.04 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 2e7m s THR 15 Cb -0.12 -4.76 -0.04 0.00 0.01 0.00 0.00 72.50 67.58 2e7m s THR 15 CO 0.00 -1.54 0.34 -0.69 -0.69 0.00 0.00 174.62 172.04 2e7m s VAL 16 N 3.86 5.27 -0.16 3.82 1.01 -1.26 -2.67 120.40 130.27 2e7m s VAL 16 Ca 0.28 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 2e7m s VAL 16 Cb -0.11 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.65 2e7m s VAL 16 CO 0.03 0.35 0.34 -0.55 0.00 0.00 0.00 175.10 175.27 2e7m s SER 17 N 0.64 -0.09 0.15 3.32 0.15 -0.17 -4.12 113.70 113.58 2e7m s SER 17 Ca 0.18 0.77 -0.08 0.00 0.70 0.00 0.00 55.95 57.52 2e7m s SER 17 Cb -0.14 0.89 -0.01 0.00 -1.71 0.00 0.00 66.02 65.05 2e7m s SER 17 CO 0.06 -0.22 1.44 0.00 1.20 0.00 0.00 173.24 175.72 2e7m h ALA 18 N 7.89 0.56 0.00 5.45 0.00 -1.85 0.23 119.26 131.54 2e7m h ALA 18 Ca -0.22 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2e7m h ALA 18 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2e7m h ALA 18 CO 0.19 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2e7m n GLY 19 N 0.33 0.66 3.84 0.00 0.00 -1.26 -4.47 105.19 104.28 2e7m n GLY 19 Ca -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.91 2e7m n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2e7m n ASP 20 N 0.00 -1.25 -4.71 1.61 2.03 -1.26 -5.14 116.55 107.83 2e7m n ASP 20 Ca 0.00 -1.35 -0.42 0.00 0.52 0.00 0.00 54.79 53.54 2e7m n ASP 20 Cb 0.00 1.96 -0.03 0.00 -0.72 0.00 0.00 41.12 42.33 2e7m n ASP 20 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2e7m s ASN 21 N -3.68 6.90 -0.07 1.67 4.22 -1.26 -4.63 114.94 118.09 2e7m s ASN 21 Ca 0.28 2.20 0.02 0.00 -2.14 0.00 0.00 52.86 53.22 2e7m s ASN 21 Cb -0.01 -2.58 -0.03 0.00 1.28 0.00 0.00 41.25 39.91 2e7m s ASN 21 CO 0.00 -0.61 -0.11 -0.76 -2.04 0.00 0.00 177.10 173.58 2e7m s LEU 22 N 1.29 2.89 -0.09 3.54 2.01 -0.95 -5.04 118.68 122.33 2e7m s LEU 22 Ca 0.63 -0.16 0.03 0.00 0.01 0.00 0.00 54.13 54.64 2e7m s LEU 22 Cb -0.34 -1.62 0.01 0.00 0.01 0.00 0.00 46.19 44.25 2e7m s LEU 22 CO 0.29 0.32 -0.18 -0.63 1.01 0.00 0.00 176.35 177.16 2e7m s ILE 23 N -0.55 1.63 0.29 -0.59 1.01 -1.26 -1.15 121.20 120.59 2e7m s ILE 23 Ca 0.08 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 60.07 2e7m s ILE 23 Cb -0.12 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 2e7m s ILE 23 CO 0.02 0.47 -0.07 0.27 0.00 0.00 0.00 174.94 175.62 2e7m s ILE 24 N 0.57 2.90 -0.10 2.92 -4.36 -0.36 -4.99 121.20 117.78 2e7m s ILE 24 Ca -0.15 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.13 2e7m s ILE 24 Cb -0.17 -2.64 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2e7m s ILE 24 CO 0.05 -0.34 -0.09 -0.89 0.24 0.00 0.00 174.94 173.92 2e7m s THR 25 N -2.44 1.02 0.79 8.37 2.01 -1.24 -0.18 115.64 123.97 2e7m s THR 25 Ca 0.32 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2e7m s THR 25 Cb -0.04 -1.01 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 2e7m s THR 25 CO 0.18 0.36 0.15 0.18 -0.69 0.00 0.00 174.62 174.80 2e7m n LEU 26 N 4.62 -1.33 0.20 4.42 4.77 -0.84 -2.22 117.00 126.62 2e7m n LEU 26 Ca -0.16 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 2e7m n LEU 26 Cb 0.50 -1.07 0.59 0.00 -2.33 0.00 0.00 43.42 41.11 2e7m n LEU 26 CO 0.19 -4.02 0.92 1.55 -1.33 0.00 0.00 177.39 174.70 2e7m h PRO 27 N -0.67 0.00 -5.28 3.23 0.13 -1.96 -3.38 132.00 124.07 2e7m h PRO 27 Ca -0.44 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.33 2e7m h PRO 27 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 2e7m h PRO 27 CO 0.37 0.00 1.40 -0.25 -0.23 0.00 0.00 178.00 179.29 2e7m n ASP 28 N -2.61 0.99 -0.37 1.44 8.00 -0.94 -4.68 116.55 118.37 2e7m n ASP 28 Ca 0.01 -0.54 0.08 0.00 0.71 0.00 0.00 54.79 55.06 2e7m n ASP 28 Cb 0.26 -1.24 0.16 0.00 -0.02 0.00 0.00 41.12 40.29 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 13.24 2.86 -4.47 -2.24 2.04 -1.26 -3.68 115.26 121.74 2e7m n ASN 29 Ca 0.53 -2.86 -0.33 0.00 -0.44 0.00 0.00 54.58 51.47 2e7m n ASN 29 Cb 0.31 -0.40 -0.13 0.00 -2.53 0.00 0.00 39.78 37.03 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 -2.51 3.16 -0.03 -3.83 2.02 -1.26 -2.13 118.70 114.12 2e7m s GLU 30 Ca 0.31 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.65 2e7m s GLU 30 Cb 0.26 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.85 2e7m s GLU 30 CO 0.05 0.39 0.08 0.54 0.02 0.00 0.00 175.26 176.35 2e7m s VAL 31 N -0.10 0.01 -0.31 2.63 0.11 -0.83 -4.96 120.40 116.94 2e7m s VAL 31 Ca -0.00 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2e7m s VAL 31 Cb -0.13 -0.15 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2e7m s VAL 31 CO 0.03 -0.05 0.03 -0.70 -3.33 0.00 0.00 175.10 171.09 2e7m s GLU 32 N -0.11 2.45 0.28 1.54 2.12 -1.26 -0.12 118.70 123.61 2e7m s GLU 32 Ca -0.02 -1.27 -0.01 0.00 0.36 0.00 0.00 54.97 54.03 2e7m s GLU 32 Cb -0.01 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2e7m s GLU 32 CO 0.00 -0.65 0.49 -0.51 -0.54 0.00 0.00 175.26 174.05 2e7m s LEU 33 N 1.28 4.11 -0.04 2.70 1.43 0.74 -4.91 118.68 123.98 2e7m s LEU 33 Ca -0.04 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2e7m s LEU 33 Cb -0.20 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.75 2e7m s LEU 33 CO -0.00 -0.18 0.10 -0.75 0.23 0.00 0.00 176.35 175.74 2e7m s LYS 34 N -3.82 0.08 -0.24 1.70 2.20 -1.26 -0.54 119.74 117.86 2e7m s LYS 34 Ca 0.40 0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 56.08 2e7m s LYS 34 Cb -0.10 -0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.13 2e7m s LYS 34 CO 0.32 -0.07 0.25 0.00 -0.36 0.00 0.00 175.35 175.49 2e7m s ALA 35 N 0.45 3.58 -0.35 3.13 0.00 0.44 -4.17 121.76 124.84 2e7m s ALA 35 Ca -0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 2e7m s ALA 35 Cb -0.05 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 2e7m s ALA 35 CO -0.02 -0.36 0.24 -0.06 0.00 0.00 0.00 175.76 175.57 2e7m s PHE 36 N 1.40 3.23 -0.12 0.00 0.08 0.81 -4.91 117.98 118.48 2e7m s PHE 36 Ca 0.11 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 2e7m s PHE 36 Cb -0.15 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2e7m s PHE 36 CO 0.07 -0.39 -0.07 0.08 -0.10 0.00 0.00 175.22 174.81 2e7m s VAL 37 N 1.71 3.60 -0.00 -0.44 1.01 -1.26 -1.00 120.40 124.02 2e7m s VAL 37 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2e7m s VAL 37 Cb -0.18 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2e7m s VAL 37 CO 0.10 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.67 2e7m s ALA 38 N -0.06 0.59 0.74 5.51 0.00 -1.09 -3.51 121.76 123.94 2e7m s ALA 38 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 2e7m s ALA 38 Cb -0.13 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.89 2e7m s ALA 38 CO 0.03 0.13 1.10 -1.25 0.00 0.00 0.00 175.76 175.77 2e7m s PRO 39 N -0.26 2.43 0.37 0.00 0.04 -1.26 -2.30 135.00 134.01 2e7m s PRO 39 Ca 0.02 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 2e7m s PRO 39 Cb -0.03 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2e7m s PRO 39 CO -0.00 -1.52 1.18 0.00 0.04 0.00 0.00 177.00 176.69 2e7m s ALA 40 N -2.73 3.24 0.58 8.56 0.00 -1.23 -5.01 121.76 125.18 2e7m s ALA 40 Ca 0.63 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 53.40 2e7m s ALA 40 Cb -0.18 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2e7m s ALA 40 CO 0.51 -0.48 1.12 -1.25 0.00 0.00 0.00 175.76 175.67 2e7m s PRO 41 N -2.10 3.18 0.43 0.00 0.04 -1.26 -5.05 135.00 130.24 2e7m s PRO 41 Ca 0.54 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 63.05 2e7m s PRO 41 Cb -0.32 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.34 2e7m s PRO 41 CO 0.41 -0.97 0.38 -0.35 0.04 0.00 0.00 177.00 176.51 2e7m n PRO 42 N -1.65 -1.76 0.23 0.56 -0.04 -1.22 -4.92 135.00 126.20 2e7m n PRO 42 Ca 0.11 -0.61 0.15 0.00 -0.04 0.00 0.00 63.50 63.11 2e7m n PRO 42 Cb 0.51 -0.57 0.51 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.94 0.00 0.00 0.52 3.04 -2.06 -3.38 116.25 112.43 2e7m h VAL 43 Ca -0.14 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2e7m h VAL 43 Cb 0.44 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2e7m h VAL 43 CO 0.09 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 176.03 2e7m n GLU 44 N -2.94 0.00 -1.73 4.17 -0.58 -1.26 -4.97 120.64 113.33 2e7m n GLU 44 Ca 0.02 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 2e7m n GLU 44 Cb 0.36 -0.31 -0.02 0.00 -0.57 0.00 0.00 31.44 30.90 2e7m n GLU 44 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2e7m n THR 45 N -2.10 0.86 -4.11 2.62 -1.04 -1.26 -5.01 114.28 104.24 2e7m n THR 45 Ca 0.00 -0.22 -0.15 0.00 -2.04 0.00 0.00 64.05 61.65 2e7m n THR 45 Cb 0.00 -1.90 -0.12 0.00 -1.82 0.00 0.00 70.33 66.49 2e7m n THR 45 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2e7m s THR 46 N 0.15 0.65 0.44 12.58 -1.32 -1.26 -3.44 115.64 123.45 2e7m s THR 46 Ca 0.66 -1.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.16 2e7m s THR 46 Cb -0.52 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2e7m s THR 46 CO 0.46 -0.27 0.64 -0.31 -2.21 0.00 0.00 174.62 172.93 2e7m s TYR 47 N -1.18 3.09 -0.12 9.09 2.02 -1.26 -5.03 117.35 123.96 2e7m s TYR 47 Ca -0.07 0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.63 2e7m s TYR 47 Cb -0.09 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 2e7m s TYR 47 CO 0.01 -0.40 0.06 -0.80 -1.57 0.00 0.00 175.55 172.85 2e7m s ASN 48 N -4.26 5.71 -0.32 2.29 0.01 -1.26 -5.05 114.94 112.06 2e7m s ASN 48 Ca 0.50 0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 52.88 2e7m s ASN 48 Cb -0.10 -1.78 0.07 0.00 0.41 0.00 0.00 41.25 39.85 2e7m s ASN 48 CO 0.36 0.35 0.03 -0.31 -1.51 0.00 0.00 177.10 176.02 2e7m s TYR 49 N -0.67 3.37 -0.15 2.20 1.51 -1.26 -3.97 117.35 118.38 2e7m s TYR 49 Ca 0.12 -2.10 0.02 0.00 -1.01 0.00 0.00 57.07 54.10 2e7m s TYR 49 Cb -0.12 -2.37 0.01 0.00 -0.11 0.00 0.00 41.96 39.37 2e7m s TYR 49 CO 0.02 -0.85 -0.20 -2.00 -1.11 0.00 0.00 175.55 171.41 2e7m s GLU 50 N 1.19 3.06 0.16 -0.62 2.56 -1.21 -3.98 118.70 119.87 2e7m s GLU 50 Ca -0.02 -0.83 0.06 0.00 0.00 0.00 0.00 54.97 54.18 2e7m s GLU 50 Cb -0.20 -2.49 -0.04 0.00 2.00 0.00 0.00 34.13 33.39 2e7m s GLU 50 CO -0.02 -0.03 0.08 -1.58 -0.56 0.00 0.00 175.26 173.15 2e7m s TRP 51 N 0.87 3.04 -0.22 5.30 0.52 0.12 0.26 118.94 128.82 2e7m s TRP 51 Ca -0.05 -0.06 -0.17 0.00 0.02 0.00 0.00 56.10 55.84 2e7m s TRP 51 Cb -0.15 -1.47 0.06 0.00 -1.15 0.00 0.00 33.47 30.76 2e7m s TRP 51 CO -0.03 0.52 0.57 -0.80 0.02 0.00 0.00 176.95 177.23 2e7m s ASN 52 N -3.02 -0.66 -0.50 2.95 0.01 -1.12 -4.20 114.94 108.41 2e7m s ASN 52 Ca 0.30 1.19 -0.22 0.00 -0.71 0.00 0.00 52.86 53.41 2e7m s ASN 52 Cb -0.10 1.15 0.04 0.00 0.41 0.00 0.00 41.25 42.75 2e7m s ASN 52 CO 0.22 -0.21 0.80 -0.22 -1.51 0.00 0.00 177.10 176.17 2e7m s LEU 53 N 0.78 4.36 -0.18 0.60 2.96 -1.26 -2.05 118.68 123.89 2e7m s LEU 53 Ca -0.04 -0.37 0.18 0.00 -0.22 0.00 0.00 54.13 53.68 2e7m s LEU 53 Cb -0.05 -2.79 -0.25 0.00 0.50 0.00 0.00 46.19 43.59 2e7m s LEU 53 CO -0.06 -1.01 0.15 2.30 -1.32 0.00 0.00 176.35 176.41 2e7m n ILE 54 N 6.03 1.31 -4.04 6.68 -0.00 -1.11 -4.88 119.36 123.35 2e7m n ILE 54 Ca 0.00 -0.83 -0.34 0.00 -0.00 0.00 0.00 62.75 61.59 2e7m n ILE 54 Cb 0.47 -0.47 -0.15 0.00 -0.00 0.00 0.00 39.64 39.49 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2e7m s SER 55 N -5.47 3.76 -0.21 7.28 0.15 -1.23 -5.01 113.70 112.98 2e7m s SER 55 Ca -0.09 -0.77 -0.27 0.00 0.70 0.00 0.00 55.95 55.52 2e7m s SER 55 Cb 0.07 -1.57 0.07 0.00 -1.71 0.00 0.00 66.02 62.88 2e7m s SER 55 CO 0.83 -0.06 0.74 -1.38 1.20 0.00 0.00 173.24 174.57 2e7m s HIS 56 N 1.30 -0.72 0.71 3.44 -3.43 -1.26 -1.81 115.29 113.51 2e7m s HIS 56 Ca 0.02 1.63 -0.13 0.00 -0.80 0.00 0.00 55.06 55.79 2e7m s HIS 56 Cb -0.15 0.32 0.02 0.00 -1.43 0.00 0.00 32.58 31.34 2e7m s HIS 56 CO -0.08 -0.43 1.10 -1.25 -2.00 0.00 0.00 174.74 172.08 2e7m s PRO 57 N -0.08 2.56 0.49 -0.38 0.04 -1.26 -4.93 135.00 131.44 2e7m s PRO 57 Ca -0.03 1.29 0.14 0.00 0.04 0.00 0.00 61.00 62.45 2e7m s PRO 57 Cb -0.04 -1.93 1.15 0.00 0.04 0.00 0.00 34.50 33.73 2e7m s PRO 57 CO 0.03 -1.42 2.10 0.00 0.04 0.00 0.00 177.00 177.75 2e7m h THR 58 N -0.48 1.04 0.00 1.26 1.03 -2.00 -1.12 112.91 112.64 2e7m h THR 58 Ca -0.45 -0.15 -0.02 0.00 -0.01 0.00 0.00 66.41 65.78 2e7m h THR 58 Cb 1.24 0.99 -0.00 0.00 -1.07 0.00 0.00 68.15 69.31 2e7m h THR 58 CO 0.53 0.05 -0.08 0.44 -0.01 0.00 0.00 175.52 176.45 2e7m h ASP 59 N 0.08 0.00 -3.02 0.00 5.19 -1.99 -3.41 116.42 113.27 2e7m h ASP 59 Ca 0.02 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.81 2e7m h ASP 59 Cb 0.05 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.49 2e7m h ASP 59 CO 0.00 0.08 -0.34 -0.47 -3.12 0.00 0.00 179.24 175.39 2e7m s TYR 60 N -4.62 3.58 -0.12 4.55 5.04 -0.42 -5.01 117.35 120.35 2e7m s TYR 60 Ca -0.04 0.68 -0.28 0.00 -2.44 0.00 0.00 57.07 54.99 2e7m s TYR 60 Cb 0.15 -2.20 -0.25 0.00 0.35 0.00 0.00 41.96 40.01 2e7m s TYR 60 CO 0.62 0.50 0.87 1.96 -1.34 0.00 0.00 175.55 178.16 2e7m h GLN 61 N 5.61 -0.00 0.00 4.97 4.20 -1.82 -3.44 115.11 124.63 2e7m h GLN 61 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2e7m h GLN 61 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2e7m h GLN 61 CO 0.66 0.89 0.00 0.41 -0.67 0.00 0.00 178.83 180.12 2e7m n GLY 62 N 1.32 0.70 2.85 3.46 0.00 -1.26 -5.11 105.19 107.14 2e7m n GLY 62 Ca -0.10 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.27 1.08 -0.02 1.61 0.41 -1.26 -5.10 118.70 115.15 2e7m s GLU 63 Ca 0.00 -1.24 -0.03 0.00 -0.41 0.00 0.00 54.97 53.29 2e7m s GLU 63 Cb 0.00 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 2e7m s GLU 63 CO 0.00 -0.89 0.06 0.42 -0.49 0.00 0.00 175.26 174.37 2e7m s ILE 64 N 1.40 0.03 -0.28 -1.63 1.01 -1.26 -5.02 121.20 115.44 2e7m s ILE 64 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2e7m s ILE 64 Cb -0.18 -0.17 0.17 0.00 0.01 0.00 0.00 42.46 42.28 2e7m s ILE 64 CO -0.16 -0.12 1.12 0.29 0.00 0.00 0.00 174.94 176.06 2e7m n LYS 65 N 2.63 1.44 -1.82 2.79 4.76 -1.26 -4.81 118.16 121.89 2e7m n LYS 65 Ca -0.15 -0.72 -0.05 0.00 -2.87 0.00 0.00 58.31 54.52 2e7m n LYS 65 Cb 0.58 -1.37 -0.01 0.00 -1.84 0.00 0.00 35.03 32.39 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 0.12 -1.90 -2.58 1.97 6.02 -1.26 -3.08 117.38 116.67 2e7m n GLN 66 Ca 0.12 0.28 -0.24 0.00 -0.01 0.00 0.00 57.00 57.16 2e7m n GLN 66 Cb 0.71 -4.61 0.02 0.00 1.02 0.00 0.00 30.24 27.38 2e7m n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7m n GLY 67 N -0.37 0.07 0.06 1.08 0.00 -1.26 0.14 105.19 104.91 2e7m n GLY 67 Ca -0.06 0.69 0.04 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.21 0.24 -3.49 1.61 8.25 -1.18 -4.23 115.22 116.22 2e7m n HIS 68 Ca -0.06 0.13 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 2e7m n HIS 68 Cb 0.42 -0.64 0.01 0.00 1.12 0.00 0.00 29.99 30.90 2e7m n HIS 68 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e7m n LYS 69 N -1.72 1.00 0.01 -0.41 5.02 -1.26 -4.32 118.16 116.49 2e7m n LYS 69 Ca -0.00 -1.67 0.13 0.00 -2.02 0.00 0.00 58.31 54.74 2e7m n LYS 69 Cb 0.09 0.09 0.54 0.00 -0.02 0.00 0.00 35.03 35.73 2e7m n LYS 69 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2e7m n GLN 70 N -1.29 0.03 -4.90 1.97 7.27 -1.26 -4.57 117.38 114.63 2e7m n GLN 70 Ca 0.02 0.08 -0.27 0.00 0.07 0.00 0.00 57.00 56.89 2e7m n GLN 70 Cb 0.31 -1.54 -0.16 0.00 2.41 0.00 0.00 30.24 31.25 2e7m n GLN 70 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2e7m s THR 71 N -3.02 1.55 -0.18 1.69 -4.23 -1.26 -0.42 115.64 109.77 2e7m s THR 71 Ca 0.12 -0.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 2e7m s THR 71 Cb 0.16 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.66 2e7m s THR 71 CO 0.48 0.44 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.66 2e7m s LEU 72 N 0.19 2.56 -0.17 4.79 2.96 0.30 -4.82 118.68 124.49 2e7m s LEU 72 Ca -0.08 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 2e7m s LEU 72 Cb -0.14 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2e7m s LEU 72 CO 0.04 0.03 0.07 0.20 -1.32 0.00 0.00 176.35 175.37 2e7m s ASN 73 N 1.16 5.72 0.22 3.68 0.02 -1.26 -0.19 114.94 124.30 2e7m s ASN 73 Ca 0.01 0.14 0.10 0.00 -1.02 0.00 0.00 52.86 52.09 2e7m s ASN 73 Cb -0.14 -1.95 -0.04 0.00 0.02 0.00 0.00 41.25 39.14 2e7m s ASN 73 CO -0.04 0.21 -0.09 -0.76 0.02 0.00 0.00 177.10 176.44 2e7m s LEU 74 N 0.13 2.96 0.21 0.60 2.01 0.84 -4.96 118.68 120.46 2e7m s LEU 74 Ca 0.05 -0.68 -0.10 0.00 0.01 0.00 0.00 54.13 53.42 2e7m s LEU 74 Cb -0.12 -1.57 -0.01 0.00 0.01 0.00 0.00 46.19 44.50 2e7m s LEU 74 CO 0.00 0.06 0.36 -0.44 1.01 0.00 0.00 176.35 177.34 2e7m s SER 75 N -3.19 -0.01 -0.42 2.29 0.01 -1.25 -1.97 113.70 109.15 2e7m s SER 75 Ca 0.27 -0.98 -0.01 0.00 1.31 0.00 0.00 55.95 56.54 2e7m s SER 75 Cb -0.07 0.50 0.01 0.00 0.21 0.00 0.00 66.02 66.67 2e7m s SER 75 CO 0.16 -1.01 0.04 0.00 0.41 0.00 0.00 173.24 172.85 2e7m n GLN 76 N -0.31 -2.71 -1.97 12.44 6.02 -1.21 -4.78 117.38 124.85 2e7m n GLN 76 Ca -0.03 0.19 -0.38 0.00 -0.01 0.00 0.00 57.00 56.77 2e7m n GLN 76 Cb 0.63 -4.73 -0.03 0.00 1.02 0.00 0.00 30.24 27.13 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 -5.32 3.31 1.17 1.08 1.43 -0.91 -4.96 118.68 114.49 2e7m s LEU 77 Ca 0.05 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 2e7m s LEU 77 Cb -0.03 -2.56 0.24 0.00 0.03 0.00 0.00 46.19 43.87 2e7m s LEU 77 CO 0.06 -2.43 0.71 -1.54 0.23 0.00 0.00 176.35 173.38 2e7m n SER 78 N 13.11 -2.01 -4.56 2.29 3.41 -1.26 -4.78 113.62 119.82 2e7m n SER 78 Ca 0.23 -0.17 -0.39 0.00 -0.26 0.00 0.00 58.87 58.27 2e7m n SER 78 Cb 0.52 -1.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.28 2e7m n SER 78 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2e7m s VAL 79 N -2.34 3.39 0.00 -3.33 1.01 -1.26 -4.64 120.40 113.22 2e7m s VAL 79 Ca 0.65 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2e7m s VAL 79 Cb -0.22 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2e7m s VAL 79 CO 0.66 -0.81 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2e7m n GLY 80 N 5.64 -0.46 3.78 4.51 0.00 -1.22 -4.96 105.19 112.48 2e7m n GLY 80 Ca 0.21 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 4.43 -0.13 0.99 2.96 -1.26 -2.55 118.68 123.12 2e7m s LEU 81 Ca 0.00 1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.99 2e7m s LEU 81 Cb 0.00 -2.83 0.05 0.00 0.50 0.00 0.00 46.19 43.90 2e7m s LEU 81 CO 0.00 0.16 0.04 -0.31 -1.32 0.00 0.00 176.35 174.92 2e7m s TYR 82 N -0.44 0.64 -0.28 5.38 2.02 -1.03 -4.00 117.35 119.66 2e7m s TYR 82 Ca 0.29 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.52 2e7m s TYR 82 Cb -0.18 -0.83 -0.00 0.00 -0.40 0.00 0.00 41.96 40.55 2e7m s TYR 82 CO 0.16 -0.45 0.07 0.08 -1.57 0.00 0.00 175.55 173.84 2e7m s VAL 83 N 1.98 4.05 -0.15 0.71 1.01 -0.75 0.00 120.40 127.25 2e7m s VAL 83 Ca 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2e7m s VAL 83 Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2e7m s VAL 83 CO -0.07 0.17 -0.03 -0.36 0.00 0.00 0.00 175.10 174.82 2e7m s PHE 84 N 1.54 3.05 -0.29 5.22 0.40 0.11 -2.76 117.98 125.25 2e7m s PHE 84 Ca 0.04 -0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 2e7m s PHE 84 Cb -0.16 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.45 2e7m s PHE 84 CO 0.03 0.03 0.02 0.21 0.70 0.00 0.00 175.22 176.20 2e7m s LYS 85 N 0.23 2.72 -0.49 0.44 2.20 -0.87 -1.43 119.74 122.55 2e7m s LYS 85 Ca -0.02 -1.08 -0.22 0.00 -0.36 0.00 0.00 55.97 54.29 2e7m s LYS 85 Cb -0.14 -3.21 0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2e7m s LYS 85 CO 0.03 -0.52 0.78 0.54 -0.36 0.00 0.00 175.35 175.82 2e7m s VAL 86 N 1.35 4.64 -0.61 4.02 0.11 -1.20 -2.80 120.40 125.91 2e7m s VAL 86 Ca -0.01 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 2e7m s VAL 86 Cb -0.18 -4.37 0.10 0.00 -1.53 0.00 0.00 36.38 30.40 2e7m s VAL 86 CO -0.01 -0.84 0.73 -0.89 -3.33 0.00 0.00 175.10 170.76 2e7m s THR 87 N 3.30 4.79 -0.39 5.04 2.01 0.14 -1.14 115.64 129.40 2e7m s THR 87 Ca 0.26 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 2e7m s THR 87 Cb -0.14 -4.51 0.06 0.00 0.01 0.00 0.00 72.50 67.92 2e7m s THR 87 CO 0.19 -1.16 0.20 -0.69 -0.69 0.00 0.00 174.62 172.47 2e7m s VAL 88 N 2.75 4.09 0.03 3.82 1.01 0.43 -3.33 120.40 129.19 2e7m s VAL 88 Ca 0.13 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2e7m s VAL 88 Cb -0.23 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2e7m s VAL 88 CO 0.06 -0.38 -0.06 -0.94 0.00 0.00 0.00 175.10 173.78 2e7m s SER 89 N 1.81 0.63 0.50 3.32 1.04 -1.25 0.39 113.70 120.13 2e7m s SER 89 Ca 0.02 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2e7m s SER 89 Cb -0.21 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 2e7m s SER 89 CO 0.03 -0.15 0.06 -0.44 0.98 0.00 0.00 173.24 173.72 2e7m s SER 90 N -1.13 4.18 0.19 7.02 0.01 0.93 -4.38 113.70 120.52 2e7m s SER 90 Ca -0.08 -1.54 -0.20 0.00 1.31 0.00 0.00 55.95 55.44 2e7m s SER 90 Cb -0.08 0.35 0.14 0.00 0.21 0.00 0.00 66.02 66.64 2e7m s SER 90 CO -0.00 -0.82 1.59 -0.08 0.41 0.00 0.00 173.24 174.34 2e7m h GLU 91 N 1.33 -0.14 -0.96 12.44 4.81 -2.02 -1.98 114.58 128.06 2e7m h GLU 91 Ca -0.43 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.22 2e7m h GLU 91 Cb 1.30 0.03 -0.40 0.00 0.63 0.00 0.00 28.75 30.31 2e7m h GLU 91 CO 0.73 -0.09 -0.46 -1.71 -0.73 0.00 0.00 179.01 176.75 2e7m n ASN 92 N -5.44 5.45 -3.50 1.04 2.85 -1.26 -4.97 115.26 109.43 2e7m n ASN 92 Ca 0.05 -3.76 -0.10 0.00 -0.11 0.00 0.00 54.58 50.66 2e7m n ASN 92 Cb 0.36 -0.49 -0.02 0.00 1.24 0.00 0.00 39.78 40.87 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e7m s ALA 93 N -3.65 -1.61 -0.18 5.20 0.00 -0.74 -0.92 121.76 119.85 2e7m s ALA 93 Ca 0.53 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 2e7m s ALA 93 Cb 0.43 0.77 0.06 0.00 0.00 0.00 0.00 23.12 24.38 2e7m s ALA 93 CO -0.02 -0.79 0.62 0.12 0.00 0.00 0.00 175.76 175.69 2e7m s PHE 94 N -3.61 -0.65 -0.30 0.00 5.36 -1.09 -0.05 117.98 117.66 2e7m s PHE 94 Ca 0.03 1.47 -0.17 0.00 -0.96 0.00 0.00 56.93 57.31 2e7m s PHE 94 Cb -0.02 0.26 0.19 0.00 -0.34 0.00 0.00 43.02 43.12 2e7m s PHE 94 CO -0.10 -0.39 1.18 0.20 -1.46 0.00 0.00 175.22 174.65 2e7m s GLY 95 N -0.10 0.34 0.00 13.12 0.00 0.16 -2.28 107.32 118.56 2e7m s GLY 95 Ca -0.03 3.58 0.01 0.00 0.00 0.00 0.00 44.72 48.28 2e7m s GLY 95 CO 0.03 2.94 -0.04 -1.83 0.00 0.00 0.00 173.10 174.20 2e7m s GLU 96 N 1.50 0.30 0.07 2.90 -1.05 -1.26 0.16 118.70 121.32 2e7m s GLU 96 Ca -0.06 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 2e7m s GLU 96 Cb -0.03 -0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.43 2e7m s GLU 96 CO -0.13 0.06 0.03 0.41 0.95 0.00 0.00 175.26 176.59 2e7m n GLY 97 N 2.77 3.42 3.26 -3.83 0.00 -0.29 -4.70 105.19 105.82 2e7m n GLY 97 Ca -0.14 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.69 -0.71 -0.01 1.61 0.40 -1.26 -3.22 117.98 114.10 2e7m s PHE 98 Ca 0.03 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 2e7m s PHE 98 Cb -0.00 0.28 0.01 0.00 0.51 0.00 0.00 43.02 43.81 2e7m s PHE 98 CO 0.02 -0.42 0.00 0.54 0.70 0.00 0.00 175.22 176.06 2e7m s VAL 99 N 2.14 0.02 0.18 -0.44 0.11 -0.51 -4.77 120.40 117.13 2e7m s VAL 99 Ca -0.05 0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.14 2e7m s VAL 99 Cb -0.11 -0.06 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2e7m s VAL 99 CO -0.13 0.03 -0.13 0.54 -3.33 0.00 0.00 175.10 172.08 2e7m s ASN 100 N 0.27 4.03 -0.13 3.54 4.22 -1.26 0.09 114.94 125.70 2e7m s ASN 100 Ca -0.02 -0.65 -0.03 0.00 -2.14 0.00 0.00 52.86 50.01 2e7m s ASN 100 Cb -0.03 -0.59 0.05 0.00 1.28 0.00 0.00 41.25 41.95 2e7m s ASN 100 CO -0.01 0.11 0.06 -0.69 -2.04 0.00 0.00 177.10 174.53 2e7m s VAL 101 N -1.69 0.09 -0.03 3.54 1.01 0.10 -2.25 120.40 121.17 2e7m s VAL 101 Ca 0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2e7m s VAL 101 Cb -0.09 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 2e7m s VAL 101 CO 0.14 -0.07 0.40 -0.89 0.00 0.00 0.00 175.10 174.67 2e7m s THR 102 N 2.07 5.08 -0.36 3.92 2.01 -0.30 -2.45 115.64 125.62 2e7m s THR 102 Ca 0.03 0.81 -0.04 0.00 0.31 0.00 0.00 61.69 62.79 2e7m s THR 102 Cb -0.15 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.73 2e7m s THR 102 CO -0.07 0.54 0.12 -0.69 -0.69 0.00 0.00 174.62 173.83 2e7m s VAL 103 N -0.80 3.37 0.35 3.82 1.01 -1.06 -1.22 120.40 125.87 2e7m s VAL 103 Ca 0.23 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 2e7m s VAL 103 Cb -0.16 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 2e7m s VAL 103 CO 0.12 -0.36 0.75 -0.54 0.00 0.00 0.00 175.10 175.07 2e7m s LYS 104 N 1.26 3.92 0.68 2.72 -0.14 0.75 -3.39 119.74 125.53 2e7m s LYS 104 Ca 0.01 0.60 -0.14 0.00 -1.36 0.00 0.00 55.97 55.07 2e7m s LYS 104 Cb -0.21 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.53 2e7m s LYS 104 CO -0.01 0.09 1.11 -1.25 -0.76 0.00 0.00 175.35 174.53 2e7m s PRO 105 N -3.29 2.71 -0.22 -1.68 0.04 -1.26 -1.98 135.00 129.32 2e7m s PRO 105 Ca 0.53 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 2e7m s PRO 105 Cb -0.10 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2e7m s PRO 105 CO 0.22 -1.31 2.10 0.00 0.04 0.00 0.00 177.00 178.05 2e7m s ALA 106 N -2.42 2.83 0.19 8.56 0.00 -1.26 -4.44 121.76 125.21 2e7m s ALA 106 Ca 0.66 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2e7m s ALA 106 Cb -0.20 -4.04 0.08 0.00 0.00 0.00 0.00 23.12 18.96 2e7m s ALA 106 CO 0.44 -2.65 1.44 0.07 0.00 0.00 0.00 175.76 175.05 2e7m h ARG 107 N 14.19 0.17 -0.28 0.00 0.11 -1.91 -3.32 114.38 123.34 2e7m h ARG 107 Ca -0.40 -0.17 0.04 0.00 0.10 0.00 0.00 59.98 59.55 2e7m h ARG 107 Cb 1.22 0.04 -0.07 0.00 1.11 0.00 0.00 29.97 32.27 2e7m h ARG 107 CO 0.97 0.88 -0.52 1.03 0.10 0.00 0.00 179.97 182.43 2e7m h SER 108 N 0.11 -1.69 -1.82 0.08 0.87 -1.90 -3.42 113.55 105.77 2e7m h SER 108 Ca -0.03 0.21 -0.43 0.00 -1.23 0.00 0.00 61.79 60.32 2e7m h SER 108 Cb 1.38 0.68 0.02 0.00 -0.44 0.00 0.00 62.40 64.05 2e7m h SER 108 CO 0.12 -0.41 -0.21 -0.83 -0.53 0.00 0.00 176.83 174.97 2e7m s GLY 109 N -2.23 1.84 0.45 5.77 0.00 -1.25 -5.08 107.32 106.82 2e7m s GLY 109 Ca -0.14 -1.52 -0.23 0.00 0.00 0.00 0.00 44.72 42.83 2e7m s GLY 109 CO 0.57 -1.33 1.17 2.56 0.00 0.00 0.00 173.10 176.06 2e7m s PRO 110 N -4.43 3.80 0.01 2.90 0.04 -1.26 -4.86 135.00 131.20 2e7m s PRO 110 Ca 0.54 1.79 -0.25 0.00 0.04 0.00 0.00 61.00 63.11 2e7m s PRO 110 Cb -0.10 -2.44 -0.19 0.00 0.04 0.00 0.00 34.50 31.81 2e7m s PRO 110 CO 0.34 -0.52 1.37 0.77 0.04 0.00 0.00 177.00 179.00 2e7m h SER 111 N 2.13 0.02 -4.90 6.66 0.02 -1.95 -3.47 113.55 112.06 2e7m h SER 111 Ca -0.49 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.06 2e7m h SER 111 Cb 1.25 -0.01 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 2e7m h SER 111 CO 0.60 0.40 0.26 -0.55 -1.14 0.00 0.00 176.83 176.41 2e7m s SER 112 N -5.61 -0.56 0.00 3.07 0.15 -1.26 -5.14 113.70 104.35 2e7m s SER 112 Ca -0.15 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2e7m s SER 112 Cb 0.03 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2e7m s SER 112 CO 0.68 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.96