#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 2.27 -1.46 1.61 0.15 -1.26 -4.86 113.70 110.15 2e7m s SER 2 Ca 0.00 -0.52 -0.08 0.00 0.70 0.00 0.00 55.95 56.05 2e7m s SER 2 Cb 0.00 -0.38 0.05 0.00 -1.71 0.00 0.00 66.02 63.99 2e7m s SER 2 CO 0.00 -0.30 0.77 -1.20 1.20 0.00 0.00 173.24 173.72 2e7m n SER 3 N 5.18 -2.73 -3.52 5.45 7.64 -1.26 -4.95 113.62 119.43 2e7m n SER 3 Ca -0.07 -0.86 -0.29 0.00 1.01 0.00 0.00 58.87 58.66 2e7m n SER 3 Cb 0.49 -3.65 -0.12 0.00 -1.01 0.00 0.00 64.21 59.91 2e7m n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e7m s GLY 4 N -3.81 1.12 0.20 0.23 0.00 -1.26 -5.00 107.32 98.79 2e7m s GLY 4 Ca 0.36 -2.13 -0.17 0.00 0.00 0.00 0.00 44.72 42.77 2e7m s GLY 4 CO 0.85 1.95 1.61 1.76 0.00 0.00 0.00 173.10 179.26 2e7m h SER 5 N 6.77 -0.85 -2.51 1.64 0.02 -2.01 -3.41 113.55 113.20 2e7m h SER 5 Ca 0.07 0.20 -0.46 0.00 -0.84 0.00 0.00 61.79 60.76 2e7m h SER 5 Cb 0.95 0.47 0.02 0.00 0.14 0.00 0.00 62.40 63.97 2e7m h SER 5 CO 0.34 -0.26 -0.20 -0.55 -1.14 0.00 0.00 176.83 175.02 2e7m s SER 6 N -5.18 6.02 0.00 3.07 0.15 -1.26 -5.02 113.70 111.47 2e7m s SER 6 Ca -0.14 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2e7m s SER 6 Cb 0.17 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2e7m s SER 6 CO 0.71 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2e7m n GLY 7 N -1.86 0.96 0.00 9.45 0.00 -1.26 -4.99 105.19 107.49 2e7m n GLY 7 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.53 1.61 -0.04 -1.26 -4.83 135.00 129.43 2e7m n PRO 8 Ca 0.00 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.89 2e7m n PRO 8 Cb 0.00 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.86 0.76 -3.89 0.54 0.63 -1.26 -4.93 116.66 107.66 2e7m n ARG 9 Ca 0.08 0.25 -0.11 0.00 -0.92 0.00 0.00 57.85 57.15 2e7m n ARG 9 Cb 0.04 -2.02 -0.12 0.00 0.45 0.00 0.00 32.46 30.81 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 5.19 0.04 0.48 5.15 -4.23 -1.26 -5.04 115.64 115.97 2e7m s THR 10 Ca 1.07 -0.36 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 2e7m s THR 10 Cb -1.14 -0.20 0.03 0.00 1.34 0.00 0.00 72.50 72.53 2e7m s THR 10 CO 0.62 -0.20 0.65 0.68 -0.54 0.00 0.00 174.62 175.84 2e7m s VAL 11 N -0.60 2.78 0.09 2.29 -7.23 -1.26 -5.03 120.40 111.45 2e7m s VAL 11 Ca -0.07 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.87 2e7m s VAL 11 Cb -0.04 -2.86 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 2e7m s VAL 11 CO 0.00 0.00 1.21 -0.54 -0.31 0.00 0.00 175.10 175.46 2e7m s LYS 12 N -4.50 4.44 -0.29 4.82 1.02 0.40 -4.86 119.74 120.77 2e7m s LYS 12 Ca 0.57 1.80 -0.29 0.00 0.02 0.00 0.00 55.97 58.07 2e7m s LYS 12 Cb -0.09 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 2e7m s LYS 12 CO 0.35 -0.22 1.28 -1.83 -0.92 0.00 0.00 175.35 174.01 2e7m s GLU 13 N 0.77 3.94 -0.03 1.68 -1.05 -1.26 -2.25 118.70 120.50 2e7m s GLU 13 Ca 0.58 1.26 -0.02 0.00 -0.15 0.00 0.00 54.97 56.63 2e7m s GLU 13 Cb -0.30 -3.86 -0.04 0.00 -0.44 0.00 0.00 34.13 29.48 2e7m s GLU 13 CO 0.31 -1.08 0.11 -0.51 0.95 0.00 0.00 175.26 175.03 2e7m s LEU 14 N 4.28 4.06 -0.82 1.83 1.43 -1.19 -4.93 118.68 123.34 2e7m s LEU 14 Ca 0.55 0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.75 2e7m s LEU 14 Cb -0.17 -2.27 0.20 0.00 0.03 0.00 0.00 46.19 43.98 2e7m s LEU 14 CO 0.22 0.31 0.82 -0.89 0.23 0.00 0.00 176.35 177.03 2e7m s THR 15 N -1.16 5.41 0.00 5.49 2.01 -1.09 -4.61 115.64 121.69 2e7m s THR 15 Ca 0.21 -2.21 -0.20 0.00 0.31 0.00 0.00 61.69 59.80 2e7m s THR 15 Cb -0.12 -4.52 -0.06 0.00 0.01 0.00 0.00 72.50 67.82 2e7m s THR 15 CO 0.12 -1.11 0.58 -0.69 -0.69 0.00 0.00 174.62 172.83 2e7m s VAL 16 N 0.77 4.90 -0.18 3.82 1.01 -1.26 -2.74 120.40 126.72 2e7m s VAL 16 Ca 0.20 1.22 -0.09 0.00 0.00 0.00 0.00 61.98 63.30 2e7m s VAL 16 Cb -0.11 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.42 2e7m s VAL 16 CO -0.08 0.44 0.42 -0.55 0.00 0.00 0.00 175.10 175.34 2e7m s SER 17 N -0.34 -0.50 0.05 3.32 0.15 0.21 -4.33 113.70 112.26 2e7m s SER 17 Ca 0.30 0.93 -0.15 0.00 0.70 0.00 0.00 55.95 57.74 2e7m s SER 17 Cb -0.18 0.87 -0.31 0.00 -1.71 0.00 0.00 66.02 64.68 2e7m s SER 17 CO 0.17 -0.20 1.07 0.00 1.20 0.00 0.00 173.24 175.48 2e7m h ALA 18 N 7.25 -0.06 0.00 5.45 0.00 -1.84 1.06 119.26 131.11 2e7m h ALA 18 Ca -0.34 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2e7m h ALA 18 Cb 1.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2e7m h ALA 18 CO 0.27 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.64 2e7m n GLY 19 N 1.52 0.29 3.60 0.00 0.00 -1.26 -4.34 105.19 105.00 2e7m n GLY 19 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 2e7m n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e7m s ASP 20 N -3.69 -0.11 0.21 1.61 2.15 -1.26 -5.14 116.67 110.45 2e7m s ASP 20 Ca 0.00 -0.04 -0.32 0.00 0.43 0.00 0.00 52.55 52.61 2e7m s ASP 20 Cb 0.00 0.15 -0.13 0.00 -0.30 0.00 0.00 42.92 42.63 2e7m s ASP 20 CO 0.00 -0.25 1.53 -0.46 -0.17 0.00 0.00 175.17 175.82 2e7m n ASN 21 N -0.21 3.15 -4.51 -0.34 0.23 -1.26 -4.78 115.26 107.54 2e7m n ASN 21 Ca -0.02 1.11 -0.31 0.00 -0.53 0.00 0.00 54.58 54.83 2e7m n ASN 21 Cb 0.60 -1.46 -0.12 0.00 -2.08 0.00 0.00 39.78 36.72 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 0.44 2.81 -0.04 -4.53 2.01 -0.75 -5.03 118.68 113.59 2e7m s LEU 22 Ca 0.72 -0.36 0.02 0.00 0.01 0.00 0.00 54.13 54.53 2e7m s LEU 22 Cb -0.63 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 43.94 2e7m s LEU 22 CO 0.43 0.25 -0.10 -0.63 1.01 0.00 0.00 176.35 177.31 2e7m s ILE 23 N -1.00 0.91 0.30 -0.59 1.01 -1.26 -0.69 121.20 119.89 2e7m s ILE 23 Ca 0.16 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.46 2e7m s ILE 23 Cb -0.11 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.48 2e7m s ILE 23 CO 0.07 0.29 0.01 0.27 0.00 0.00 0.00 174.94 175.58 2e7m s ILE 24 N 0.40 1.35 -0.00 2.92 -4.36 0.16 -4.97 121.20 116.70 2e7m s ILE 24 Ca -0.07 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 2e7m s ILE 24 Cb -0.12 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.99 2e7m s ILE 24 CO 0.01 -0.16 -0.02 -0.89 0.24 0.00 0.00 174.94 174.12 2e7m s THR 25 N -3.20 0.21 0.79 8.37 2.01 -1.23 0.57 115.64 123.16 2e7m s THR 25 Ca 0.33 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 2e7m s THR 25 Cb 0.07 -0.19 0.07 0.00 0.01 0.00 0.00 72.50 72.45 2e7m s THR 25 CO 0.13 0.07 1.16 0.18 -0.69 0.00 0.00 174.62 175.47 2e7m n LEU 26 N 3.13 4.31 0.25 4.42 4.77 -0.68 -1.89 117.00 131.31 2e7m n LEU 26 Ca -0.14 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 2e7m n LEU 26 Cb 0.58 -1.49 0.58 0.00 -2.33 0.00 0.00 43.42 40.76 2e7m n LEU 26 CO 0.25 -1.74 0.89 1.55 -1.33 0.00 0.00 177.39 177.02 2e7m h PRO 27 N -0.77 0.00 -5.21 3.23 0.13 -1.92 -3.41 132.00 124.05 2e7m h PRO 27 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 2e7m h PRO 27 Cb 1.30 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 2e7m h PRO 27 CO 0.46 0.14 1.51 -0.25 -0.23 0.00 0.00 178.00 179.63 2e7m n ASP 28 N -3.34 0.66 -0.60 1.44 8.00 -0.79 -4.69 116.55 117.23 2e7m n ASP 28 Ca -0.00 -0.44 0.07 0.00 0.71 0.00 0.00 54.79 55.13 2e7m n ASP 28 Cb 0.36 -1.13 0.20 0.00 -0.02 0.00 0.00 41.12 40.53 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 12.15 2.79 -4.50 -2.24 0.23 -1.26 -3.55 115.26 118.88 2e7m n ASN 29 Ca 0.56 -3.29 -0.33 0.00 -0.53 0.00 0.00 54.58 50.98 2e7m n ASN 29 Cb 0.25 -0.52 -0.13 0.00 -2.08 0.00 0.00 39.78 37.31 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 -2.97 2.95 -0.03 -3.83 2.02 -1.26 -2.81 118.70 112.76 2e7m s GLU 30 Ca 0.38 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.73 2e7m s GLU 30 Cb 0.33 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.98 2e7m s GLU 30 CO 0.03 0.50 0.09 0.54 0.02 0.00 0.00 175.26 176.44 2e7m s VAL 31 N -0.37 0.01 -0.23 2.63 0.11 -1.20 -4.99 120.40 116.36 2e7m s VAL 31 Ca 0.05 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2e7m s VAL 31 Cb -0.12 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 2e7m s VAL 31 CO 0.02 -0.06 -0.08 -0.70 -3.33 0.00 0.00 175.10 170.95 2e7m s GLU 32 N -0.16 2.97 0.18 1.54 2.12 -1.26 -1.73 118.70 122.35 2e7m s GLU 32 Ca -0.02 -0.88 0.06 0.00 0.36 0.00 0.00 54.97 54.48 2e7m s GLU 32 Cb -0.02 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2e7m s GLU 32 CO 0.00 -0.33 0.14 -0.51 -0.54 0.00 0.00 175.26 174.02 2e7m s LEU 33 N 1.35 3.76 -0.02 2.70 1.43 0.53 -4.94 118.68 123.49 2e7m s LEU 33 Ca 0.02 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2e7m s LEU 33 Cb -0.16 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.71 2e7m s LEU 33 CO -0.06 0.05 0.04 -0.75 0.23 0.00 0.00 176.35 175.87 2e7m s LYS 34 N -3.23 0.05 -0.01 1.70 2.20 -1.26 -0.47 119.74 118.72 2e7m s LYS 34 Ca 0.31 0.07 -0.07 0.00 -0.36 0.00 0.00 55.97 55.93 2e7m s LYS 34 Cb -0.10 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.19 2e7m s LYS 34 CO 0.23 -0.02 0.25 0.00 -0.36 0.00 0.00 175.35 175.46 2e7m s ALA 35 N 0.09 3.86 -0.16 3.13 0.00 -0.54 -4.16 121.76 123.98 2e7m s ALA 35 Ca -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 2e7m s ALA 35 Cb -0.01 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 21.10 2e7m s ALA 35 CO -0.00 0.65 -0.06 -0.06 0.00 0.00 0.00 175.76 176.28 2e7m s PHE 36 N -1.26 1.75 -0.05 0.00 0.08 0.37 -4.93 117.98 113.94 2e7m s PHE 36 Ca 0.26 -1.09 0.06 0.00 0.12 0.00 0.00 56.93 56.29 2e7m s PHE 36 Cb -0.13 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2e7m s PHE 36 CO 0.15 -0.62 -0.25 0.54 -0.10 0.00 0.00 175.22 174.95 2e7m s VAL 37 N 1.62 2.00 0.03 -0.44 0.11 -1.26 0.67 120.40 123.13 2e7m s VAL 37 Ca 0.01 -1.05 0.05 0.00 -2.93 0.00 0.00 61.98 58.06 2e7m s VAL 37 Cb -0.15 -1.68 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 2e7m s VAL 37 CO -0.08 0.56 -0.15 0.00 -3.33 0.00 0.00 175.10 172.10 2e7m s ALA 38 N -0.27 1.22 0.58 1.54 0.00 -1.11 -3.39 121.76 120.33 2e7m s ALA 38 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 2e7m s ALA 38 Cb -0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2e7m s ALA 38 CO 0.02 0.24 1.12 -1.25 0.00 0.00 0.00 175.76 175.90 2e7m s PRO 39 N -1.06 3.19 0.34 0.00 0.04 -1.26 -2.68 135.00 133.57 2e7m s PRO 39 Ca 0.02 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 2e7m s PRO 39 Cb -0.08 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2e7m s PRO 39 CO 0.01 -0.97 1.18 0.00 0.04 0.00 0.00 177.00 177.26 2e7m s ALA 40 N -1.94 3.34 0.70 8.56 0.00 -1.22 -5.01 121.76 126.19 2e7m s ALA 40 Ca 0.71 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 2e7m s ALA 40 Cb -0.23 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2e7m s ALA 40 CO 0.31 -0.42 1.10 -1.25 0.00 0.00 0.00 175.76 175.50 2e7m s PRO 41 N -1.86 2.59 0.51 0.00 0.04 -1.26 -5.05 135.00 129.96 2e7m s PRO 41 Ca 0.50 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.76 2e7m s PRO 41 Cb -0.33 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.40 2e7m s PRO 41 CO 0.43 -1.40 0.45 -0.35 0.04 0.00 0.00 177.00 176.17 2e7m n PRO 42 N -2.84 -1.90 0.17 0.56 -0.04 -1.22 -4.94 135.00 124.78 2e7m n PRO 42 Ca 0.10 -0.72 0.04 0.00 -0.04 0.00 0.00 63.50 62.88 2e7m n PRO 42 Cb 0.52 -0.67 0.28 0.00 -0.04 0.00 0.00 33.50 33.59 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 -2.02 1.04 0.00 0.52 3.04 -2.05 -3.37 116.25 113.41 2e7m h VAL 43 Ca -0.17 -1.70 0.00 0.00 -1.01 0.00 0.00 66.70 63.82 2e7m h VAL 43 Cb 0.52 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 2e7m h VAL 43 CO 0.11 0.44 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.70 2e7m h GLU 44 N 0.00 0.00 -7.00 4.17 4.39 -2.04 -3.47 114.58 110.62 2e7m h GLU 44 Ca -0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2e7m h GLU 44 Cb 0.96 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.68 2e7m h GLU 44 CO 0.06 0.00 0.49 0.99 -1.16 0.00 0.00 179.01 179.39 2e7m s THR 45 N -1.19 3.05 0.04 1.13 2.01 -1.26 -5.05 115.64 114.37 2e7m s THR 45 Ca -0.02 0.79 -0.19 0.00 0.31 0.00 0.00 61.69 62.58 2e7m s THR 45 Cb 0.00 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 69.15 2e7m s THR 45 CO 0.03 -0.01 0.43 0.28 -0.69 0.00 0.00 174.62 174.67 2e7m s THR 46 N -1.52 0.05 0.58 -0.82 -1.32 -1.26 -3.42 115.64 107.92 2e7m s THR 46 Ca 0.64 -0.41 0.04 0.00 -1.21 0.00 0.00 61.69 60.74 2e7m s THR 46 Cb -0.29 -0.95 0.07 0.00 -1.51 0.00 0.00 72.50 69.82 2e7m s THR 46 CO 0.36 -0.23 0.80 -0.31 -2.21 0.00 0.00 174.62 173.03 2e7m s TYR 47 N -2.42 2.19 -0.09 9.09 2.02 -1.26 -5.01 117.35 121.86 2e7m s TYR 47 Ca -0.06 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2e7m s TYR 47 Cb -0.01 -2.62 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 2e7m s TYR 47 CO -0.02 -1.07 -0.13 1.21 -1.57 0.00 0.00 175.55 173.97 2e7m s ASN 48 N -4.55 4.06 -0.35 2.29 3.84 -1.26 -5.04 114.94 113.93 2e7m s ASN 48 Ca 0.60 -0.25 -0.09 0.00 0.21 0.00 0.00 52.86 53.33 2e7m s ASN 48 Cb -0.08 -1.26 0.03 0.00 -0.55 0.00 0.00 41.25 39.39 2e7m s ASN 48 CO 0.39 0.25 0.15 -0.31 -2.79 0.00 0.00 177.10 174.79 2e7m s TYR 49 N -0.18 3.23 -0.34 0.43 1.51 -1.26 -3.96 117.35 116.78 2e7m s TYR 49 Ca 0.00 -1.12 -0.01 0.00 -1.01 0.00 0.00 57.07 54.93 2e7m s TYR 49 Cb -0.13 -2.35 0.07 0.00 -0.11 0.00 0.00 41.96 39.44 2e7m s TYR 49 CO 0.03 -0.66 0.06 -2.00 -1.11 0.00 0.00 175.55 171.88 2e7m s GLU 50 N 1.49 2.19 0.29 -0.62 2.12 -1.18 -4.16 118.70 118.82 2e7m s GLU 50 Ca 0.01 -1.51 -0.11 0.00 0.36 0.00 0.00 54.97 53.72 2e7m s GLU 50 Cb -0.19 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 30.83 2e7m s GLU 50 CO 0.05 -0.79 0.64 -1.58 -0.54 0.00 0.00 175.26 173.03 2e7m s TRP 51 N 1.17 3.41 -0.22 5.30 0.52 0.76 -0.96 118.94 128.93 2e7m s TRP 51 Ca 0.01 1.00 -0.19 0.00 0.02 0.00 0.00 56.10 56.93 2e7m s TRP 51 Cb -0.21 -2.37 0.06 0.00 -1.15 0.00 0.00 33.47 29.81 2e7m s TRP 51 CO -0.03 0.16 0.59 -0.80 0.02 0.00 0.00 176.95 176.89 2e7m s ASN 52 N -2.48 -0.64 -0.10 2.95 0.01 0.06 -4.05 114.94 110.69 2e7m s ASN 52 Ca 0.50 1.21 -0.26 0.00 -0.71 0.00 0.00 52.86 53.60 2e7m s ASN 52 Cb -0.11 1.20 -0.02 0.00 0.41 0.00 0.00 41.25 42.73 2e7m s ASN 52 CO 0.22 -0.21 0.84 -0.22 -1.51 0.00 0.00 177.10 176.22 2e7m s LEU 53 N 0.52 4.26 -0.03 0.60 2.96 -1.26 -1.22 118.68 124.51 2e7m s LEU 53 Ca -0.02 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 2e7m s LEU 53 Cb -0.05 -3.29 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2e7m s LEU 53 CO -0.02 -0.30 -0.03 2.30 -1.32 0.00 0.00 176.35 176.98 2e7m n ILE 54 N 4.28 0.15 -4.13 6.68 -5.35 -1.11 -5.01 119.36 114.87 2e7m n ILE 54 Ca 0.04 -0.05 -0.35 0.00 -0.27 0.00 0.00 62.75 62.12 2e7m n ILE 54 Cb 0.50 -1.10 -0.13 0.00 -1.74 0.00 0.00 39.64 37.17 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 -4.79 4.67 -0.17 7.28 0.15 -1.21 -5.01 113.70 114.62 2e7m s SER 55 Ca -0.04 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.07 2e7m s SER 55 Cb 0.01 -1.79 0.13 0.00 -1.71 0.00 0.00 66.02 62.67 2e7m s SER 55 CO 0.05 0.07 1.03 -1.38 1.20 0.00 0.00 173.24 174.21 2e7m s HIS 56 N 0.97 -0.34 1.10 3.44 -3.43 -1.26 -1.35 115.29 114.43 2e7m s HIS 56 Ca 0.01 0.57 -0.16 0.00 -0.80 0.00 0.00 55.06 54.68 2e7m s HIS 56 Cb -0.14 0.46 0.24 0.00 -1.43 0.00 0.00 32.58 31.70 2e7m s HIS 56 CO 0.01 -0.32 1.10 -1.25 -2.00 0.00 0.00 174.74 172.29 2e7m s PRO 57 N -1.15 -0.41 0.21 -0.38 0.04 -1.25 -4.97 135.00 127.07 2e7m s PRO 57 Ca -0.01 0.22 0.12 0.00 0.04 0.00 0.00 61.00 61.38 2e7m s PRO 57 Cb -0.01 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 2e7m s PRO 57 CO 0.00 -3.23 1.35 0.00 0.04 0.00 0.00 177.00 175.17 2e7m h THR 58 N -2.25 1.20 -0.04 1.26 1.03 -2.00 -3.24 112.91 108.88 2e7m h THR 58 Ca -0.50 -2.71 -0.02 0.00 -0.01 0.00 0.00 66.41 63.17 2e7m h THR 58 Cb 1.32 2.59 -0.00 0.00 -1.07 0.00 0.00 68.15 70.98 2e7m h THR 58 CO 0.47 0.68 -0.06 -0.78 -0.01 0.00 0.00 175.52 175.82 2e7m h ASP 59 N 0.00 0.05 -3.42 0.00 3.58 -1.96 -3.41 116.42 111.26 2e7m h ASP 59 Ca -0.01 -0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.89 2e7m h ASP 59 Cb 1.55 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.55 2e7m h ASP 59 CO 0.09 0.12 0.13 -0.47 -2.88 0.00 0.00 179.24 176.23 2e7m s TYR 60 N -4.92 3.75 -0.09 0.28 5.04 -1.22 -5.00 117.35 115.19 2e7m s TYR 60 Ca -0.05 1.45 -0.05 0.00 -2.44 0.00 0.00 57.07 55.98 2e7m s TYR 60 Cb 0.16 -2.77 -0.04 0.00 0.35 0.00 0.00 41.96 39.66 2e7m s TYR 60 CO 0.69 0.32 0.20 1.96 -1.34 0.00 0.00 175.55 177.38 2e7m h GLN 61 N 5.46 -0.10 0.00 4.97 4.20 -1.88 -3.46 115.11 124.30 2e7m h GLN 61 Ca -0.45 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2e7m h GLN 61 Cb 1.20 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2e7m h GLN 61 CO 0.70 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 179.28 2e7m n GLY 62 N 1.48 2.21 2.60 3.46 0.00 -1.26 -5.14 105.19 108.54 2e7m n GLY 62 Ca -0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.56 0.22 0.09 1.61 2.02 -1.26 -5.13 118.70 115.69 2e7m s GLU 63 Ca 0.00 -0.37 -0.12 0.00 0.02 0.00 0.00 54.97 54.49 2e7m s GLU 63 Cb 0.00 -1.58 0.01 0.00 0.10 0.00 0.00 34.13 32.67 2e7m s GLU 63 CO 0.00 -0.84 0.28 0.42 0.02 0.00 0.00 175.26 175.14 2e7m s ILE 64 N 2.06 0.11 -0.39 -1.63 1.01 -1.26 -4.88 121.20 116.22 2e7m s ILE 64 Ca 0.05 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.89 2e7m s ILE 64 Cb -0.16 -1.17 0.53 0.00 0.01 0.00 0.00 42.46 41.66 2e7m s ILE 64 CO -0.22 -0.48 1.62 0.29 0.00 0.00 0.00 174.94 176.15 2e7m n LYS 65 N 0.08 2.28 -2.06 2.79 5.02 -1.26 -4.91 118.16 120.09 2e7m n LYS 65 Ca -0.16 -3.30 -0.02 0.00 -2.02 0.00 0.00 58.31 52.82 2e7m n LYS 65 Cb 0.62 -2.03 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.05 -2.35 -3.14 1.97 6.02 -1.26 -2.58 117.38 115.00 2e7m n GLN 66 Ca 0.45 0.08 -0.20 0.00 -0.01 0.00 0.00 57.00 57.33 2e7m n GLN 66 Cb 1.11 -4.45 0.01 0.00 1.02 0.00 0.00 30.24 27.93 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 -0.39 -0.55 0.14 1.08 0.00 -1.26 -0.17 105.19 104.04 2e7m n GLY 67 Ca -0.02 0.52 0.07 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.34 0.46 -3.78 1.61 -0.00 -1.06 -4.27 115.22 106.83 2e7m n HIS 68 Ca -0.17 0.24 -0.20 0.00 -0.00 0.00 0.00 57.72 57.60 2e7m n HIS 68 Cb 0.46 -0.76 0.00 0.00 -0.00 0.00 0.00 29.99 29.70 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 -2.00 0.87 0.20 -0.41 4.76 -1.26 -4.54 118.16 115.77 2e7m n LYS 69 Ca -0.01 -2.63 0.14 0.00 -2.87 0.00 0.00 58.31 52.95 2e7m n LYS 69 Cb 0.20 0.27 0.57 0.00 -1.84 0.00 0.00 35.03 34.24 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 -6.43 1.97 4.15 -1.88 -3.42 115.11 109.50 2e7m h GLN 70 Ca -0.27 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.46 2e7m h GLN 70 Cb 0.97 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.36 2e7m h GLN 70 CO 0.42 0.00 -0.88 0.95 -1.93 0.00 0.00 178.83 177.38 2e7m s THR 71 N -3.47 2.11 -0.17 2.39 -4.23 -1.26 -1.46 115.64 109.55 2e7m s THR 71 Ca 0.03 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 2e7m s THR 71 Cb 0.09 -1.74 -0.00 0.00 1.34 0.00 0.00 72.50 72.19 2e7m s THR 71 CO 0.47 0.58 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.77 2e7m s LEU 72 N -0.50 2.52 -0.14 4.79 2.96 0.38 -4.77 118.68 123.94 2e7m s LEU 72 Ca 0.06 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2e7m s LEU 72 Cb -0.11 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2e7m s LEU 72 CO 0.00 0.06 -0.12 0.20 -1.32 0.00 0.00 176.35 175.17 2e7m s ASN 73 N 0.99 4.07 0.31 3.68 0.02 -1.26 -0.35 114.94 122.40 2e7m s ASN 73 Ca -0.02 -0.32 0.09 0.00 -1.02 0.00 0.00 52.86 51.59 2e7m s ASN 73 Cb -0.15 -1.63 -0.04 0.00 0.02 0.00 0.00 41.25 39.45 2e7m s ASN 73 CO -0.02 0.15 0.10 -0.76 0.02 0.00 0.00 177.10 176.59 2e7m s LEU 74 N 0.42 3.29 0.26 0.60 1.02 -0.71 -4.91 118.68 118.65 2e7m s LEU 74 Ca -0.09 -0.68 -0.05 0.00 0.02 0.00 0.00 54.13 53.33 2e7m s LEU 74 Cb -0.16 -1.79 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2e7m s LEU 74 CO 0.05 -0.17 0.35 -0.94 0.02 0.00 0.00 176.35 175.67 2e7m s SER 75 N -3.78 0.35 -1.40 2.29 1.04 -1.26 -3.23 113.70 107.71 2e7m s SER 75 Ca 0.35 -1.27 -0.18 0.00 0.48 0.00 0.00 55.95 55.33 2e7m s SER 75 Cb -0.04 0.54 0.18 0.00 0.10 0.00 0.00 66.02 66.79 2e7m s SER 75 CO 0.22 -1.08 0.44 0.00 0.98 0.00 0.00 173.24 173.80 2e7m n GLN 76 N -0.41 -1.09 -2.34 4.02 6.02 -1.25 -4.82 117.38 117.52 2e7m n GLN 76 Ca 0.01 0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2e7m n GLN 76 Cb 0.63 -4.17 -0.03 0.00 1.02 0.00 0.00 30.24 27.69 2e7m n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2e7m s LEU 77 N -6.20 4.42 0.69 1.08 1.43 -1.13 -5.03 118.68 113.94 2e7m s LEU 77 Ca 0.62 2.23 -0.05 0.00 -1.03 0.00 0.00 54.13 55.90 2e7m s LEU 77 Cb -0.36 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.33 2e7m s LEU 77 CO 0.76 -0.44 0.98 -0.55 0.23 0.00 0.00 176.35 177.33 2e7m s SER 78 N 0.42 4.76 -0.40 2.29 0.15 -1.26 -4.77 113.70 114.89 2e7m s SER 78 Ca 0.56 0.26 -0.29 0.00 0.70 0.00 0.00 55.95 57.18 2e7m s SER 78 Cb -0.33 -0.89 0.01 0.00 -1.71 0.00 0.00 66.02 63.09 2e7m s SER 78 CO 0.35 -1.60 1.46 0.54 1.20 0.00 0.00 173.24 175.19 2e7m s VAL 79 N -3.17 3.85 0.00 4.45 0.11 -1.26 -4.58 120.40 119.80 2e7m s VAL 79 Ca 0.61 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.53 2e7m s VAL 79 Cb -0.10 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2e7m s VAL 79 CO 0.44 -0.70 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 2e7m n GLY 80 N 5.11 -0.19 3.83 6.54 0.00 -1.19 -4.94 105.19 114.35 2e7m n GLY 80 Ca 0.17 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 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 4.41 -0.20 0.99 2.96 -1.26 -2.08 118.68 123.50 2e7m s LEU 81 Ca 0.00 1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 55.05 2e7m s LEU 81 Cb 0.00 -3.15 0.08 0.00 0.50 0.00 0.00 46.19 43.62 2e7m s LEU 81 CO 0.00 0.16 0.16 -0.31 -1.32 0.00 0.00 176.35 175.05 2e7m s TYR 82 N -1.33 -0.04 -0.47 5.38 2.02 -0.91 -3.94 117.35 118.06 2e7m s TYR 82 Ca 0.35 -0.12 -0.16 0.00 -0.37 0.00 0.00 57.07 56.77 2e7m s TYR 82 Cb -0.17 -0.55 0.07 0.00 -0.40 0.00 0.00 41.96 40.90 2e7m s TYR 82 CO 0.19 -0.60 0.42 0.08 -1.57 0.00 0.00 175.55 174.07 2e7m s VAL 83 N 2.23 5.18 -0.08 0.71 1.01 -0.46 -0.51 120.40 128.48 2e7m s VAL 83 Ca 0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2e7m s VAL 83 Cb -0.16 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2e7m s VAL 83 CO -0.14 -0.59 0.27 -0.36 0.00 0.00 0.00 175.10 174.28 2e7m s PHE 84 N 1.79 3.62 -0.12 5.22 0.08 0.14 -2.76 117.98 125.95 2e7m s PHE 84 Ca 0.06 0.72 0.01 0.00 0.12 0.00 0.00 56.93 57.84 2e7m s PHE 84 Cb -0.23 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 2e7m s PHE 84 CO 0.08 0.60 -0.17 0.21 -0.10 0.00 0.00 175.22 175.84 2e7m s LYS 85 N -0.73 3.26 -0.32 0.44 2.20 -0.36 -1.64 119.74 122.59 2e7m s LYS 85 Ca 0.18 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2e7m s LYS 85 Cb -0.14 -2.52 0.04 0.00 -1.51 0.00 0.00 37.83 33.71 2e7m s LYS 85 CO 0.07 0.21 0.06 0.54 -0.36 0.00 0.00 175.35 175.87 2e7m s VAL 86 N 0.33 3.47 -0.51 4.02 0.11 -1.17 -0.76 120.40 125.90 2e7m s VAL 86 Ca -0.14 -1.23 -0.20 0.00 -2.93 0.00 0.00 61.98 57.48 2e7m s VAL 86 Cb -0.17 -2.98 0.05 0.00 -1.53 0.00 0.00 36.38 31.76 2e7m s VAL 86 CO 0.07 -0.15 0.69 -0.89 -3.33 0.00 0.00 175.10 171.49 2e7m s THR 87 N 1.34 4.77 -0.26 5.04 2.01 -0.13 -1.87 115.64 126.54 2e7m s THR 87 Ca -0.03 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 2e7m s THR 87 Cb -0.20 -4.35 0.02 0.00 0.01 0.00 0.00 72.50 67.99 2e7m s THR 87 CO 0.01 -0.86 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.37 2e7m s VAL 88 N 2.91 3.12 0.02 3.82 1.01 0.17 -3.10 120.40 128.35 2e7m s VAL 88 Ca 0.18 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2e7m s VAL 88 Cb -0.18 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2e7m s VAL 88 CO 0.14 0.14 -0.05 -0.94 0.00 0.00 0.00 175.10 174.38 2e7m s SER 89 N 1.35 0.59 0.48 3.32 1.04 -1.25 0.11 113.70 119.35 2e7m s SER 89 Ca 0.00 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2e7m s SER 89 Cb -0.17 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.00 2e7m s SER 89 CO -0.03 -0.12 0.29 -1.54 0.98 0.00 0.00 173.24 172.83 2e7m n SER 90 N 2.11 2.71 -0.19 7.02 3.41 0.30 -4.27 113.62 124.71 2e7m n SER 90 Ca -0.19 -2.75 -0.03 0.00 -0.26 0.00 0.00 58.87 55.64 2e7m n SER 90 Cb 0.56 0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.59 2e7m n SER 90 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2e7m h GLU 91 N 0.00 -0.06 -0.43 4.33 4.57 -2.02 -2.41 114.58 118.56 2e7m h GLU 91 Ca -0.32 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.55 2e7m h GLU 91 Cb 1.14 0.01 -0.25 0.00 -0.16 0.00 0.00 28.75 29.50 2e7m h GLU 91 CO 0.52 -0.04 -0.69 0.27 -1.18 0.00 0.00 179.01 177.89 2e7m n ASN 92 N -5.42 3.54 -3.69 1.04 6.94 -1.26 -5.03 115.26 111.38 2e7m n ASN 92 Ca 0.06 -3.80 -0.12 0.00 -0.02 0.00 0.00 54.58 50.69 2e7m n ASN 92 Cb 0.33 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 37.26 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 -0.90 -0.19 -2.53 0.00 -0.91 -0.45 121.76 113.34 2e7m s ALA 93 Ca 0.45 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2e7m s ALA 93 Cb 0.39 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.98 2e7m s ALA 93 CO -0.01 -0.48 0.45 0.12 0.00 0.00 0.00 175.76 175.85 2e7m s PHE 94 N -2.73 -0.72 0.22 0.00 2.19 -0.95 0.11 117.98 116.09 2e7m s PHE 94 Ca -0.04 1.47 -0.14 0.00 0.33 0.00 0.00 56.93 58.56 2e7m s PHE 94 Cb -0.00 0.33 0.00 0.00 -1.31 0.00 0.00 43.02 42.05 2e7m s PHE 94 CO -0.04 -0.40 0.46 0.20 1.83 0.00 0.00 175.22 177.27 2e7m s GLY 95 N 1.69 0.33 -0.11 13.12 0.00 0.31 -3.14 107.32 119.52 2e7m s GLY 95 Ca -0.08 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 2e7m s GLY 95 CO -0.14 -0.55 0.94 -1.83 0.00 0.00 0.00 173.10 171.53 2e7m s GLU 96 N -3.96 0.69 0.43 2.90 4.04 -1.26 0.45 118.70 121.98 2e7m s GLU 96 Ca 0.17 0.03 0.04 0.00 0.04 0.00 0.00 54.97 55.25 2e7m s GLU 96 Cb -0.00 0.32 -0.02 0.00 0.02 0.00 0.00 34.13 34.45 2e7m s GLU 96 CO 0.04 -0.24 0.12 0.20 -1.84 0.00 0.00 175.26 173.54 2e7m s GLY 97 N -1.50 2.73 -0.05 -3.83 0.00 -0.78 -4.37 107.32 99.51 2e7m s GLY 97 Ca -0.01 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 2e7m s GLY 97 CO -0.01 -1.88 0.10 -1.36 0.00 0.00 0.00 173.10 169.95 2e7m s PHE 98 N -3.15 -0.05 -0.02 1.90 0.40 -1.26 -3.04 117.98 112.76 2e7m s PHE 98 Ca 0.20 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.92 2e7m s PHE 98 Cb 0.02 -0.33 0.01 0.00 0.51 0.00 0.00 43.02 43.23 2e7m s PHE 98 CO 0.13 -0.20 -0.04 0.54 0.70 0.00 0.00 175.22 176.35 2e7m s VAL 99 N 1.91 0.44 0.05 -0.44 0.11 -0.65 -4.76 120.40 117.05 2e7m s VAL 99 Ca 0.00 -0.15 0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2e7m s VAL 99 Cb -0.12 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2e7m s VAL 99 CO -0.04 0.16 -0.19 0.54 -3.33 0.00 0.00 175.10 172.24 2e7m s ASN 100 N 0.39 3.70 -0.14 3.54 4.22 -1.26 0.25 114.94 125.65 2e7m s ASN 100 Ca -0.05 -0.46 -0.01 0.00 -2.14 0.00 0.00 52.86 50.21 2e7m s ASN 100 Cb -0.08 -0.56 0.03 0.00 1.28 0.00 0.00 41.25 41.93 2e7m s ASN 100 CO -0.00 0.25 -0.06 -0.69 -2.04 0.00 0.00 177.10 174.56 2e7m s VAL 101 N -0.92 1.00 -0.13 3.54 1.01 0.33 -1.80 120.40 123.44 2e7m s VAL 101 Ca 0.14 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2e7m s VAL 101 Cb -0.10 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2e7m s VAL 101 CO 0.05 0.24 0.27 -0.89 0.00 0.00 0.00 175.10 174.77 2e7m s THR 102 N 1.70 5.31 -0.11 3.92 2.01 0.14 -2.14 115.64 126.47 2e7m s THR 102 Ca 0.03 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 2e7m s THR 102 Cb -0.14 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2e7m s THR 102 CO -0.08 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.60 2e7m s VAL 103 N -0.13 3.90 0.06 3.82 1.01 -0.88 -0.66 120.40 127.51 2e7m s VAL 103 Ca 0.17 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2e7m s VAL 103 Cb -0.13 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2e7m s VAL 103 CO 0.05 0.55 0.17 -0.54 0.00 0.00 0.00 175.10 175.33 2e7m s LYS 104 N -0.26 3.27 0.48 2.72 -0.14 0.19 -3.17 119.74 122.83 2e7m s LYS 104 Ca 0.04 -0.50 -0.22 0.00 -1.36 0.00 0.00 55.97 53.94 2e7m s LYS 104 Cb -0.13 -2.95 -0.07 0.00 -1.68 0.00 0.00 37.83 33.00 2e7m s LYS 104 CO 0.02 0.61 1.16 -1.25 -0.76 0.00 0.00 175.35 175.13 2e7m s PRO 105 N -2.39 3.68 -0.39 -1.68 0.04 -1.26 -1.69 135.00 131.31 2e7m s PRO 105 Ca 0.32 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 2e7m s PRO 105 Cb -0.13 -2.33 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 2e7m s PRO 105 CO 0.25 -0.61 2.34 0.00 0.04 0.00 0.00 177.00 179.02 2e7m n ALA 106 N -0.65 1.18 -0.00 8.56 0.00 -1.26 -4.40 120.51 123.94 2e7m n ALA 106 Ca 0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 2e7m n ALA 106 Cb 0.49 -3.01 -0.10 0.00 0.00 0.00 0.00 19.45 16.83 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 16.99 -0.02 -5.48 0.00 3.08 -1.91 -3.39 114.38 123.64 2e7m h ARG 107 Ca -0.30 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.13 2e7m h ARG 107 Cb 1.26 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 31.18 2e7m h ARG 107 CO 1.08 0.44 0.58 -1.12 -1.07 0.00 0.00 179.97 179.88 2e7m s SER 108 N -5.64 6.18 -0.17 7.04 0.01 -1.26 -4.97 113.70 114.89 2e7m s SER 108 Ca -0.16 -0.99 -0.28 0.00 1.31 0.00 0.00 55.95 55.83 2e7m s SER 108 Cb 0.02 -2.43 0.09 0.00 0.21 0.00 0.00 66.02 63.91 2e7m s SER 108 CO 0.66 -1.46 0.82 -0.83 0.41 0.00 0.00 173.24 172.85 2e7m s GLY 109 N 3.69 -0.43 0.21 3.44 0.00 -1.26 -4.96 107.32 108.01 2e7m s GLY 109 Ca 0.23 1.89 -0.30 0.00 0.00 0.00 0.00 44.72 46.54 2e7m s GLY 109 CO 0.10 1.32 1.30 2.56 0.00 0.00 0.00 173.10 178.38 2e7m s PRO 110 N -0.54 4.40 -0.03 2.90 0.04 -1.26 -5.04 135.00 135.48 2e7m s PRO 110 Ca -0.04 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2e7m s PRO 110 Cb -0.02 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.34 2e7m s PRO 110 CO 0.03 -0.23 -0.05 0.45 0.04 0.00 0.00 177.00 177.24 2e7m s SER 111 N 0.26 0.81 -0.67 6.66 0.15 -1.26 -5.04 113.70 114.61 2e7m s SER 111 Ca 0.56 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.08 2e7m s SER 111 Cb -0.36 -0.30 0.40 0.00 -1.71 0.00 0.00 66.02 64.05 2e7m s SER 111 CO 0.39 -0.01 2.06 -1.54 1.20 0.00 0.00 173.24 175.33 2e7m n SER 112 N 3.66 7.55 0.00 5.45 3.41 -1.26 -5.34 113.62 127.09 2e7m n SER 112 Ca -0.22 -3.73 0.08 0.00 -0.26 0.00 0.00 58.87 54.75 2e7m n SER 112 Cb 0.53 -1.01 0.48 0.00 -0.26 0.00 0.00 64.21 63.95 2e7m n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49