#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 2.83 -0.10 1.61 0.01 -1.26 -5.04 113.70 111.75 2e7m s SER 2 Ca 0.00 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 2e7m s SER 2 Cb 0.00 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 2e7m s SER 2 CO 0.00 0.16 -0.11 -1.20 0.41 0.00 0.00 173.24 172.50 2e7m n SER 3 N 1.41 2.39 -3.68 2.44 7.64 -1.26 -5.08 113.62 117.48 2e7m n SER 3 Ca -0.18 0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.56 2e7m n SER 3 Cb 0.53 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.44 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 -5.04 -0.31 -0.31 0.23 0.00 -1.26 -5.06 107.32 95.57 2e7m s GLY 4 Ca -0.14 0.74 0.08 0.00 0.00 0.00 0.00 44.72 45.41 2e7m s GLY 4 CO 0.22 0.49 1.17 -1.14 0.00 0.00 0.00 173.10 173.83 2e7m n SER 5 N 1.28 4.52 -4.80 1.64 3.41 -1.26 -5.05 113.62 113.36 2e7m n SER 5 Ca -0.20 -3.56 -0.38 0.00 -0.26 0.00 0.00 58.87 54.46 2e7m n SER 5 Cb 0.56 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2e7m n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2e7m s SER 6 N -3.61 6.88 -0.38 4.04 1.04 -1.26 -4.62 113.70 115.80 2e7m s SER 6 Ca 0.48 1.05 -0.10 0.00 0.48 0.00 0.00 55.95 57.86 2e7m s SER 6 Cb 0.40 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 64.23 2e7m s SER 6 CO 0.00 0.23 0.36 0.61 0.98 0.00 0.00 173.24 175.42 2e7m n GLY 7 N 2.12 -2.42 0.00 7.32 0.00 -1.26 -4.83 105.19 106.11 2e7m n GLY 7 Ca -0.11 0.94 0.07 0.00 0.00 0.00 0.00 46.02 46.92 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 0.12 0.49 0.00 1.61 -0.04 -1.26 -3.52 135.00 132.40 2e7m n PRO 8 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2e7m n PRO 8 Cb 0.29 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.95 0.00 -2.86 0.54 0.63 -1.26 -5.16 116.66 107.60 2e7m n ARG 9 Ca 0.11 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.04 2e7m n ARG 9 Cb 0.05 -0.48 0.01 0.00 0.45 0.00 0.00 32.46 32.49 2e7m n ARG 9 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2e7m n THR 10 N -2.49 0.00 -4.08 5.15 5.66 -1.23 -5.18 114.28 112.10 2e7m n THR 10 Ca 0.00 -0.13 -0.24 0.00 -3.05 0.00 0.00 64.05 60.64 2e7m n THR 10 Cb 0.28 0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 69.30 2e7m n THR 10 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2e7m s VAL 11 N -2.14 2.52 -0.10 1.08 -7.23 -1.26 -4.48 120.40 108.80 2e7m s VAL 11 Ca 0.14 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 2e7m s VAL 11 Cb -0.01 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2e7m s VAL 11 CO 0.00 -0.06 1.55 -0.54 -0.31 0.00 0.00 175.10 175.75 2e7m s LYS 12 N -3.90 4.16 -0.03 4.82 1.02 0.27 -4.84 119.74 121.24 2e7m s LYS 12 Ca 0.41 2.01 -0.30 0.00 0.02 0.00 0.00 55.97 58.10 2e7m s LYS 12 Cb 0.01 -3.93 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 2e7m s LYS 12 CO 0.23 -0.85 1.38 -1.83 -0.92 0.00 0.00 175.35 173.36 2e7m s GLU 13 N 3.96 4.28 -0.07 1.68 -1.05 -1.26 -2.44 118.70 123.79 2e7m s GLU 13 Ca 0.68 1.92 0.01 0.00 -0.15 0.00 0.00 54.97 57.44 2e7m s GLU 13 Cb -0.30 -3.63 -0.03 0.00 -0.44 0.00 0.00 34.13 29.74 2e7m s GLU 13 CO 0.26 -0.60 -0.09 -0.51 0.95 0.00 0.00 175.26 175.26 2e7m s LEU 14 N 2.64 3.01 -0.81 1.83 1.43 -1.19 -4.81 118.68 120.77 2e7m s LEU 14 Ca 0.63 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 2e7m s LEU 14 Cb -0.30 -1.65 0.13 0.00 0.03 0.00 0.00 46.19 44.40 2e7m s LEU 14 CO 0.25 0.33 0.98 -0.89 0.23 0.00 0.00 176.35 177.26 2e7m s THR 15 N -0.64 4.78 -0.22 5.49 2.01 -0.67 -4.53 115.64 121.85 2e7m s THR 15 Ca 0.10 -1.38 -0.20 0.00 0.31 0.00 0.00 61.69 60.51 2e7m s THR 15 Cb -0.11 -4.68 -0.02 0.00 0.01 0.00 0.00 72.50 67.70 2e7m s THR 15 CO 0.01 -1.38 0.62 -0.69 -0.69 0.00 0.00 174.62 172.50 2e7m s VAL 16 N 2.61 5.01 -0.02 3.82 1.01 -1.26 -2.57 120.40 129.00 2e7m s VAL 16 Ca 0.25 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 2e7m s VAL 16 Cb -0.11 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.37 2e7m s VAL 16 CO -0.03 0.08 0.04 -0.55 0.00 0.00 0.00 175.10 174.64 2e7m s SER 17 N 1.31 0.05 0.00 3.32 0.15 -0.52 -4.09 113.70 113.91 2e7m s SER 17 Ca 0.27 0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.84 2e7m s SER 17 Cb -0.16 -0.04 -0.34 0.00 -1.71 0.00 0.00 66.02 63.77 2e7m s SER 17 CO 0.09 -0.12 0.89 0.00 1.20 0.00 0.00 173.24 175.30 2e7m h ALA 18 N 7.17 -0.06 0.00 5.45 0.00 -1.86 0.13 119.26 130.09 2e7m h ALA 18 Ca -0.43 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.53 2e7m h ALA 18 Cb 1.13 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2e7m h ALA 18 CO 0.48 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.93 2e7m n GLY 19 N 1.77 1.24 3.85 0.00 0.00 -1.26 -4.36 105.19 106.42 2e7m n GLY 19 Ca -0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 2e7m n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e7m s ASP 20 N -2.34 -0.03 0.24 1.61 2.15 -1.26 -5.14 116.67 111.90 2e7m s ASP 20 Ca 0.00 -0.43 -0.30 0.00 0.43 0.00 0.00 52.55 52.25 2e7m s ASP 20 Cb 0.00 0.36 -0.10 0.00 -0.30 0.00 0.00 42.92 42.88 2e7m s ASP 20 CO 0.00 -0.70 1.38 0.54 -0.17 0.00 0.00 175.17 176.22 2e7m s ASN 21 N -3.37 6.76 -0.06 -0.34 2.20 -1.26 -4.61 114.94 114.25 2e7m s ASN 21 Ca 0.21 2.57 0.03 0.00 -0.94 0.00 0.00 52.86 54.74 2e7m s ASN 21 Cb -0.01 -2.62 -0.02 0.00 -2.00 0.00 0.00 41.25 36.60 2e7m s ASN 21 CO 0.02 -0.62 -0.15 -0.76 -2.94 0.00 0.00 177.10 172.65 2e7m s LEU 22 N -0.43 2.68 -0.07 3.54 2.01 -0.42 -5.02 118.68 120.97 2e7m s LEU 22 Ca 0.57 -0.24 -0.00 0.00 0.01 0.00 0.00 54.13 54.47 2e7m s LEU 22 Cb -0.40 -1.55 0.02 0.00 0.01 0.00 0.00 46.19 44.28 2e7m s LEU 22 CO 0.42 0.31 -0.04 -0.63 1.01 0.00 0.00 176.35 177.43 2e7m s ILE 23 N -0.53 0.61 0.27 -0.59 1.01 -1.26 -0.68 121.20 120.02 2e7m s ILE 23 Ca 0.07 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.73 2e7m s ILE 23 Cb -0.12 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2e7m s ILE 23 CO 0.01 0.27 0.05 0.27 0.00 0.00 0.00 174.94 175.55 2e7m s ILE 24 N 1.43 3.65 -0.12 2.92 -4.36 -0.45 -4.96 121.20 119.31 2e7m s ILE 24 Ca -0.03 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 2e7m s ILE 24 Cb -0.13 -2.98 0.02 0.00 1.25 0.00 0.00 42.46 40.62 2e7m s ILE 24 CO -0.03 -0.36 -0.12 -0.89 0.24 0.00 0.00 174.94 173.78 2e7m s THR 25 N -2.29 1.34 0.79 8.37 2.01 -1.25 0.54 115.64 125.15 2e7m s THR 25 Ca 0.32 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 2e7m s THR 25 Cb -0.06 -1.28 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 2e7m s THR 25 CO 0.21 0.42 0.11 0.18 -0.69 0.00 0.00 174.62 174.85 2e7m n LEU 26 N 4.67 -1.56 0.27 4.42 4.77 -1.05 -2.43 117.00 126.08 2e7m n LEU 26 Ca -0.16 0.47 0.17 0.00 -0.03 0.00 0.00 56.01 56.45 2e7m n LEU 26 Cb 0.50 -1.06 0.69 0.00 -2.33 0.00 0.00 43.42 41.22 2e7m n LEU 26 CO 0.20 -4.11 0.98 1.55 -1.33 0.00 0.00 177.39 174.69 2e7m h PRO 27 N -0.66 0.00 -5.44 3.23 0.13 -1.96 -3.41 132.00 123.89 2e7m h PRO 27 Ca -0.44 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.10 2e7m h PRO 27 Cb 1.34 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 2e7m h PRO 27 CO 0.37 0.03 1.59 -0.25 -0.23 0.00 0.00 178.00 179.51 2e7m n ASP 28 N -3.14 0.82 -0.53 1.44 9.92 -1.02 -4.75 116.55 119.29 2e7m n ASP 28 Ca 0.00 0.27 0.07 0.00 -0.53 0.00 0.00 54.79 54.60 2e7m n ASP 28 Cb 0.31 -1.02 0.19 0.00 -0.64 0.00 0.00 41.12 39.96 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 10.19 1.79 -4.21 -2.24 0.23 -1.26 -3.96 115.26 115.81 2e7m n ASN 29 Ca 0.57 -3.70 -0.29 0.00 -0.53 0.00 0.00 54.58 50.63 2e7m n ASN 29 Cb 0.09 -0.50 -0.16 0.00 -2.08 0.00 0.00 39.78 37.12 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 -3.07 2.34 -0.02 -3.83 2.02 -1.26 -3.35 118.70 111.53 2e7m s GLU 30 Ca 0.37 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 2e7m s GLU 30 Cb 0.35 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.64 2e7m s GLU 30 CO -0.06 0.29 0.08 0.54 0.02 0.00 0.00 175.26 176.13 2e7m s VAL 31 N 0.02 0.01 -0.31 2.63 0.11 -1.21 -4.96 120.40 116.69 2e7m s VAL 31 Ca -0.07 -0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2e7m s VAL 31 Cb -0.14 -0.15 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2e7m s VAL 31 CO 0.04 -0.07 0.03 -0.70 -3.33 0.00 0.00 175.10 171.08 2e7m s GLU 32 N -0.18 2.42 0.37 1.54 2.12 -1.26 -1.71 118.70 122.01 2e7m s GLU 32 Ca -0.02 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 54.01 2e7m s GLU 32 Cb -0.02 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 2e7m s GLU 32 CO 0.00 -0.66 0.59 -0.51 -0.54 0.00 0.00 175.26 174.13 2e7m s LEU 33 N 1.26 3.93 0.10 2.70 1.43 0.30 -4.90 118.68 123.50 2e7m s LEU 33 Ca -0.04 0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2e7m s LEU 33 Cb -0.20 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2e7m s LEU 33 CO -0.01 -0.38 -0.16 -0.75 0.23 0.00 0.00 176.35 175.29 2e7m s LYS 34 N -4.39 0.97 -0.27 1.70 2.47 -1.26 -1.56 119.74 117.40 2e7m s LYS 34 Ca 0.42 -1.12 0.03 0.00 -1.56 0.00 0.00 55.97 53.74 2e7m s LYS 34 Cb -0.10 -0.98 0.07 0.00 -1.46 0.00 0.00 37.83 35.36 2e7m s LYS 34 CO 0.37 0.21 -0.07 0.00 0.16 0.00 0.00 175.35 176.02 2e7m s ALA 35 N -1.60 2.55 0.12 3.13 0.00 -0.65 -4.20 121.76 121.11 2e7m s ALA 35 Ca 0.04 -1.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.02 2e7m s ALA 35 Cb -0.08 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 2e7m s ALA 35 CO 0.03 -1.30 0.45 -0.06 0.00 0.00 0.00 175.76 174.88 2e7m s PHE 36 N 1.10 3.56 -0.07 0.00 0.40 0.46 -4.94 117.98 118.49 2e7m s PHE 36 Ca -0.04 0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 57.11 2e7m s PHE 36 Cb -0.20 -2.21 0.04 0.00 0.51 0.00 0.00 43.02 41.16 2e7m s PHE 36 CO -0.06 0.46 0.13 0.08 0.70 0.00 0.00 175.22 176.53 2e7m s VAL 37 N -1.48 -0.14 -0.04 -0.44 1.01 -1.26 -1.44 120.40 116.62 2e7m s VAL 37 Ca 0.36 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.67 2e7m s VAL 37 Cb -0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 2e7m s VAL 37 CO 0.19 0.11 -0.19 0.00 0.00 0.00 0.00 175.10 175.21 2e7m s ALA 38 N 1.68 1.69 0.88 5.51 0.00 -1.06 -3.16 121.76 127.30 2e7m s ALA 38 Ca -0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2e7m s ALA 38 Cb -0.12 -0.53 0.12 0.00 0.00 0.00 0.00 23.12 22.59 2e7m s ALA 38 CO -0.05 0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.88 2e7m s PRO 39 N -0.10 1.38 0.34 0.00 0.04 -1.26 -1.68 135.00 133.73 2e7m s PRO 39 Ca -0.02 0.86 -0.26 0.00 0.04 0.00 0.00 61.00 61.62 2e7m s PRO 39 Cb -0.11 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2e7m s PRO 39 CO 0.02 -2.16 1.05 0.00 0.04 0.00 0.00 177.00 175.94 2e7m s ALA 40 N -2.93 3.22 0.51 8.56 0.00 -1.19 -4.98 121.76 124.95 2e7m s ALA 40 Ca 0.63 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 2e7m s ALA 40 Cb -0.18 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 2e7m s ALA 40 CO 0.57 -0.12 1.14 -1.25 0.00 0.00 0.00 175.76 176.10 2e7m s PRO 41 N -2.01 3.52 0.00 0.00 0.04 -1.26 -5.05 135.00 130.23 2e7m s PRO 41 Ca 0.51 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2e7m s PRO 41 Cb -0.25 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2e7m s PRO 41 CO 0.32 -0.73 0.00 -0.35 0.04 0.00 0.00 177.00 176.28 2e7m n PRO 42 N -0.98 -0.78 0.23 0.56 -0.04 -1.23 -4.94 135.00 127.82 2e7m n PRO 42 Ca 0.10 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2e7m n PRO 42 Cb 0.50 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.23 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 -1.39 0.03 0.00 0.52 3.04 -2.06 -3.39 116.25 113.00 2e7m h VAL 43 Ca 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.75 2e7m h VAL 43 Cb 0.00 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2e7m h VAL 43 CO 0.00 0.02 0.00 -0.62 -1.01 0.00 0.00 177.57 175.96 2e7m n GLU 44 N -3.10 0.00 -1.81 4.17 -0.58 -1.26 -4.91 120.64 113.14 2e7m n GLU 44 Ca 0.03 0.10 -0.42 0.00 -0.42 0.00 0.00 57.16 56.46 2e7m n GLU 44 Cb 0.49 -0.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.83 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 -0.72 2.90 -0.20 2.62 2.01 -1.26 -4.98 115.64 116.00 2e7m s THR 45 Ca 0.00 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2e7m s THR 45 Cb 0.00 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.38 2e7m s THR 45 CO 0.00 -0.01 -0.12 0.42 -0.69 0.00 0.00 174.62 174.22 2e7m s THR 46 N 3.11 1.77 0.57 -0.82 -4.23 -1.26 -3.56 115.64 111.22 2e7m s THR 46 Ca 0.79 -1.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.03 2e7m s THR 46 Cb -0.42 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 2e7m s THR 46 CO 0.35 0.21 1.23 -0.31 -0.54 0.00 0.00 174.62 175.56 2e7m s TYR 47 N 1.34 2.42 -0.06 3.99 2.02 -1.26 -5.01 117.35 120.79 2e7m s TYR 47 Ca -0.01 1.49 -0.12 0.00 -0.37 0.00 0.00 57.07 58.06 2e7m s TYR 47 Cb -0.16 -3.54 -0.05 0.00 -0.40 0.00 0.00 41.96 37.81 2e7m s TYR 47 CO -0.09 -2.28 0.30 -0.80 -1.57 0.00 0.00 175.55 171.11 2e7m s ASN 48 N -1.43 6.61 -0.31 2.29 0.01 -1.26 -5.04 114.94 115.81 2e7m s ASN 48 Ca 0.75 0.73 -0.07 0.00 -0.71 0.00 0.00 52.86 53.55 2e7m s ASN 48 Cb -0.32 -2.18 0.02 0.00 0.41 0.00 0.00 41.25 39.18 2e7m s ASN 48 CO 0.36 0.33 0.10 -0.31 -1.51 0.00 0.00 177.10 176.07 2e7m s TYR 49 N -0.85 3.18 -0.28 2.20 2.02 -1.26 -4.17 117.35 118.18 2e7m s TYR 49 Ca 0.20 -1.06 0.03 0.00 -0.37 0.00 0.00 57.07 55.87 2e7m s TYR 49 Cb -0.15 -2.28 0.07 0.00 -0.40 0.00 0.00 41.96 39.20 2e7m s TYR 49 CO 0.09 -0.61 -0.06 -2.00 -1.57 0.00 0.00 175.55 171.39 2e7m s GLU 50 N 1.49 2.06 0.27 -0.62 2.12 -1.07 -4.17 118.70 118.78 2e7m s GLU 50 Ca 0.02 -1.48 -0.08 0.00 0.36 0.00 0.00 54.97 53.79 2e7m s GLU 50 Cb -0.18 -2.99 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 2e7m s GLU 50 CO 0.03 -0.67 0.57 -1.58 -0.54 0.00 0.00 175.26 173.07 2e7m s TRP 51 N 1.06 3.45 -0.25 5.30 0.52 0.65 0.11 118.94 129.78 2e7m s TRP 51 Ca -0.04 0.79 -0.17 0.00 0.02 0.00 0.00 56.10 56.70 2e7m s TRP 51 Cb -0.20 -2.21 0.07 0.00 -1.15 0.00 0.00 33.47 29.98 2e7m s TRP 51 CO -0.06 0.20 0.63 -0.80 0.02 0.00 0.00 176.95 176.95 2e7m s ASN 52 N -2.74 -0.78 -0.05 2.95 0.01 -1.00 -4.09 114.94 109.24 2e7m s ASN 52 Ca 0.46 1.34 -0.28 0.00 -0.71 0.00 0.00 52.86 53.67 2e7m s ASN 52 Cb -0.11 1.27 -0.02 0.00 0.41 0.00 0.00 41.25 42.80 2e7m s ASN 52 CO 0.26 -0.23 0.93 -0.22 -1.51 0.00 0.00 177.10 176.33 2e7m s LEU 53 N 1.11 4.31 0.00 0.60 2.96 -1.26 -1.57 118.68 124.83 2e7m s LEU 53 Ca -0.06 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 2e7m s LEU 53 Cb -0.05 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2e7m s LEU 53 CO -0.11 -0.30 0.00 2.30 -1.32 0.00 0.00 176.35 176.92 2e7m n ILE 54 N 4.13 0.00 -3.43 6.68 -5.35 -1.04 -4.97 119.36 115.38 2e7m n ILE 54 Ca 0.05 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.10 2e7m n ILE 54 Cb 0.50 -1.34 -0.08 0.00 -1.74 0.00 0.00 39.64 36.98 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 -4.85 6.02 -0.06 7.28 0.15 -1.22 -4.98 113.70 116.05 2e7m s SER 55 Ca 0.00 -1.44 -0.31 0.00 0.70 0.00 0.00 55.95 54.91 2e7m s SER 55 Cb 0.00 -2.14 0.08 0.00 -1.71 0.00 0.00 66.02 62.25 2e7m s SER 55 CO 0.00 -0.65 0.71 -1.38 1.20 0.00 0.00 173.24 173.12 2e7m s HIS 56 N 1.58 -0.63 0.92 3.44 -3.43 -1.26 -0.30 115.29 115.61 2e7m s HIS 56 Ca 0.04 1.07 -0.12 0.00 -0.80 0.00 0.00 55.06 55.25 2e7m s HIS 56 Cb -0.25 0.42 0.14 0.00 -1.43 0.00 0.00 32.58 31.46 2e7m s HIS 56 CO 0.05 -0.59 1.09 -1.25 -2.00 0.00 0.00 174.74 172.04 2e7m s PRO 57 N -1.24 1.10 0.15 -0.38 0.04 -1.25 -4.97 135.00 128.45 2e7m s PRO 57 Ca -0.10 0.77 0.03 0.00 0.04 0.00 0.00 61.00 61.74 2e7m s PRO 57 Cb -0.00 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 2e7m s PRO 57 CO 0.09 -2.34 1.34 0.00 0.04 0.00 0.00 177.00 176.13 2e7m h THR 58 N -1.62 1.55 -0.51 1.26 1.03 -2.02 -3.22 112.91 109.38 2e7m h THR 58 Ca -0.50 -2.86 -0.02 0.00 -0.01 0.00 0.00 66.41 63.02 2e7m h THR 58 Cb 1.29 2.61 -0.03 0.00 -1.07 0.00 0.00 68.15 70.96 2e7m h THR 58 CO 0.55 0.83 0.25 0.44 -0.01 0.00 0.00 175.52 177.58 2e7m h ASP 59 N 0.07 0.64 -1.22 0.00 3.32 -2.00 -3.44 116.42 113.78 2e7m h ASP 59 Ca -0.04 -0.06 -0.72 0.00 0.02 0.00 0.00 57.03 56.23 2e7m h ASP 59 Cb 1.61 -0.16 0.08 0.00 0.22 0.00 0.00 39.33 41.07 2e7m h ASP 59 CO 0.14 0.54 -0.09 0.00 -1.72 0.00 0.00 179.24 178.11 2e7m n TYR 60 N -4.38 0.41 -2.60 4.55 9.36 -1.22 -4.90 117.16 118.39 2e7m n TYR 60 Ca 0.04 0.94 -0.09 0.00 3.32 0.00 0.00 57.90 62.11 2e7m n TYR 60 Cb 0.12 -2.09 0.04 0.00 -0.63 0.00 0.00 39.34 36.78 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 1.39 2.16 -3.80 2.98 6.02 -1.26 -5.04 117.38 119.83 2e7m n GLN 61 Ca 0.18 -3.68 -0.22 0.00 -0.01 0.00 0.00 57.00 53.27 2e7m n GLN 61 Cb 0.18 -1.74 -0.04 0.00 1.02 0.00 0.00 30.24 29.66 2e7m n GLN 61 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2e7m s GLY 62 N -3.62 1.94 -0.06 1.08 0.00 -1.26 -5.09 107.32 100.30 2e7m s GLY 62 Ca 0.34 -1.77 0.03 0.00 0.00 0.00 0.00 44.72 43.32 2e7m s GLY 62 CO -0.02 -1.66 -0.15 -1.83 0.00 0.00 0.00 173.10 169.44 2e7m s GLU 63 N -4.01 1.92 0.04 2.90 -1.05 -1.26 -5.14 118.70 112.10 2e7m s GLU 63 Ca 0.42 -0.53 0.03 0.00 -0.15 0.00 0.00 54.97 54.75 2e7m s GLU 63 Cb -0.04 -1.57 -0.04 0.00 -0.44 0.00 0.00 34.13 32.04 2e7m s GLU 63 CO 0.26 0.10 -0.02 0.42 0.95 0.00 0.00 175.26 176.98 2e7m s ILE 64 N 0.46 3.98 -0.55 1.83 1.01 -1.26 -4.91 121.20 121.75 2e7m s ILE 64 Ca -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2e7m s ILE 64 Cb -0.15 -2.82 0.54 0.00 0.01 0.00 0.00 42.46 40.04 2e7m s ILE 64 CO 0.04 0.27 1.93 0.29 0.00 0.00 0.00 174.94 177.48 2e7m n LYS 65 N 1.09 2.52 -1.99 2.79 5.02 -1.26 -4.87 118.16 121.46 2e7m n LYS 65 Ca -0.13 -3.22 -0.03 0.00 -2.02 0.00 0.00 58.31 52.90 2e7m n LYS 65 Cb 0.52 -2.23 -0.01 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 -1.01 -2.18 -3.67 1.97 6.02 -1.26 -2.37 117.38 114.88 2e7m n GLN 66 Ca 0.60 0.18 -0.24 0.00 -0.01 0.00 0.00 57.00 57.52 2e7m n GLN 66 Cb 1.07 -4.54 0.01 0.00 1.02 0.00 0.00 30.24 27.80 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 -0.40 -0.73 0.42 1.08 0.00 -1.26 -0.25 105.19 104.04 2e7m n GLY 67 Ca -0.04 0.32 0.16 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.33 0.00 -6.08 1.61 -0.00 -1.63 -3.40 115.15 105.33 2e7m h HIS 68 Ca -0.46 0.00 -0.48 0.00 -0.00 0.00 0.00 60.37 59.42 2e7m h HIS 68 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 2e7m h HIS 68 CO 0.20 0.00 -0.15 1.63 -0.00 0.00 0.00 177.93 179.61 2e7m n LYS 69 N -2.99 0.68 0.18 2.45 4.76 -1.26 -4.39 118.16 117.59 2e7m n LYS 69 Ca 0.10 -3.01 0.03 0.00 -2.87 0.00 0.00 58.31 52.56 2e7m n LYS 69 Cb 1.08 0.04 0.36 0.00 -1.84 0.00 0.00 35.03 34.66 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 -5.67 1.97 4.15 -1.88 -3.43 115.11 110.25 2e7m h GLN 70 Ca -0.28 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.48 2e7m h GLN 70 Cb 1.16 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.66 2e7m h GLN 70 CO 0.42 0.39 -0.65 0.95 -1.93 0.00 0.00 178.83 178.01 2e7m s THR 71 N -3.96 4.02 -0.11 2.39 -4.23 -1.26 -1.64 115.64 110.85 2e7m s THR 71 Ca -0.02 -0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2e7m s THR 71 Cb 0.13 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 2e7m s THR 71 CO 0.71 0.55 -0.07 -0.22 -0.54 0.00 0.00 174.62 175.05 2e7m s LEU 72 N -0.24 3.11 -0.14 4.79 2.96 -0.60 -4.84 118.68 123.72 2e7m s LEU 72 Ca 0.05 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2e7m s LEU 72 Cb -0.13 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 2e7m s LEU 72 CO 0.02 0.26 -0.16 0.20 -1.32 0.00 0.00 176.35 175.34 2e7m s ASN 73 N -0.17 3.63 0.08 3.68 0.02 -1.26 -0.54 114.94 120.37 2e7m s ASN 73 Ca 0.02 -0.46 0.02 0.00 -1.02 0.00 0.00 52.86 51.43 2e7m s ASN 73 Cb -0.13 -1.54 -0.04 0.00 0.02 0.00 0.00 41.25 39.56 2e7m s ASN 73 CO 0.03 0.12 0.11 -0.76 0.02 0.00 0.00 177.10 176.61 2e7m s LEU 74 N 0.63 3.92 0.03 0.60 2.01 -0.69 -4.94 118.68 120.23 2e7m s LEU 74 Ca -0.09 0.04 -0.10 0.00 0.01 0.00 0.00 54.13 53.99 2e7m s LEU 74 Cb -0.16 -2.58 0.01 0.00 0.01 0.00 0.00 46.19 43.47 2e7m s LEU 74 CO 0.03 0.17 0.22 -0.94 1.01 0.00 0.00 176.35 176.83 2e7m s SER 75 N -2.44 -0.02 -1.66 2.29 1.04 -1.26 -3.34 113.70 108.32 2e7m s SER 75 Ca 0.30 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 2e7m s SER 75 Cb -0.12 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2e7m s SER 75 CO 0.23 -0.53 0.37 0.00 0.98 0.00 0.00 173.24 174.30 2e7m n GLN 76 N 0.84 -3.66 -1.55 4.02 6.02 -1.25 -4.84 117.38 116.96 2e7m n GLN 76 Ca -0.20 0.96 -0.29 0.00 -0.01 0.00 0.00 57.00 57.46 2e7m n GLN 76 Cb 0.58 -5.75 0.15 0.00 1.02 0.00 0.00 30.24 26.25 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 -6.43 1.96 0.00 1.08 1.43 -1.21 -4.82 118.68 110.69 2e7m s LEU 77 Ca 0.18 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 2e7m s LEU 77 Cb -0.08 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 2e7m s LEU 77 CO 0.23 -2.75 0.36 -1.54 0.23 0.00 0.00 176.35 172.88 2e7m n SER 78 N -3.87 -0.96 -4.61 2.29 3.41 -1.26 -4.87 113.62 103.74 2e7m n SER 78 Ca 0.09 -3.09 -0.43 0.00 -0.26 0.00 0.00 58.87 55.18 2e7m n SER 78 Cb 0.59 2.01 -0.03 0.00 -0.26 0.00 0.00 64.21 66.53 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 -3.16 3.52 0.00 -3.33 1.01 -1.26 -4.48 120.40 112.70 2e7m s VAL 79 Ca 0.36 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2e7m s VAL 79 Cb 0.01 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2e7m s VAL 79 CO 0.26 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2e7m n GLY 80 N 5.08 1.54 3.79 4.51 0.00 -1.25 -4.96 105.19 113.90 2e7m n GLY 80 Ca 0.21 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 4.46 -0.13 0.99 2.96 -1.26 -3.09 118.68 122.61 2e7m s LEU 81 Ca 0.00 1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 55.03 2e7m s LEU 81 Cb 0.00 -2.85 0.05 0.00 0.50 0.00 0.00 46.19 43.89 2e7m s LEU 81 CO 0.00 0.20 0.10 -0.31 -1.32 0.00 0.00 176.35 175.02 2e7m s TYR 82 N -0.66 0.09 -0.35 5.38 2.02 -0.34 -3.90 117.35 119.59 2e7m s TYR 82 Ca 0.29 -0.04 -0.09 0.00 -0.37 0.00 0.00 57.07 56.86 2e7m s TYR 82 Cb -0.18 -0.57 0.03 0.00 -0.40 0.00 0.00 41.96 40.83 2e7m s TYR 82 CO 0.17 -0.41 0.15 0.08 -1.57 0.00 0.00 175.55 173.96 2e7m s VAL 83 N 2.18 4.17 -0.11 0.71 1.01 0.59 -0.59 120.40 128.36 2e7m s VAL 83 Ca 0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 2e7m s VAL 83 Cb -0.15 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2e7m s VAL 83 CO -0.07 -0.17 0.29 -0.36 0.00 0.00 0.00 175.10 174.79 2e7m s PHE 84 N 1.49 3.56 -0.29 5.22 0.08 -0.53 -2.49 117.98 125.02 2e7m s PHE 84 Ca 0.01 0.68 -0.01 0.00 0.12 0.00 0.00 56.93 57.73 2e7m s PHE 84 Cb -0.19 -2.24 0.05 0.00 -0.57 0.00 0.00 43.02 40.07 2e7m s PHE 84 CO 0.05 0.45 -0.02 0.21 -0.10 0.00 0.00 175.22 175.80 2e7m s LYS 85 N -0.26 2.45 -0.57 0.44 2.20 -0.61 -1.93 119.74 121.46 2e7m s LYS 85 Ca 0.18 -1.25 -0.23 0.00 -0.36 0.00 0.00 55.97 54.31 2e7m s LYS 85 Cb -0.14 -3.11 0.05 0.00 -1.51 0.00 0.00 37.83 33.12 2e7m s LYS 85 CO 0.06 -0.59 0.91 0.54 -0.36 0.00 0.00 175.35 175.92 2e7m s VAL 86 N 1.24 4.42 -0.44 4.02 0.11 -1.24 -2.37 120.40 126.14 2e7m s VAL 86 Ca -0.05 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 2e7m s VAL 86 Cb -0.19 -4.55 0.02 0.00 -1.53 0.00 0.00 36.38 30.13 2e7m s VAL 86 CO -0.02 -1.17 0.76 -0.89 -3.33 0.00 0.00 175.10 170.45 2e7m s THR 87 N 3.85 4.69 -0.22 5.04 2.01 0.12 -2.54 115.64 128.58 2e7m s THR 87 Ca 0.27 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2e7m s THR 87 Cb -0.14 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.12 2e7m s THR 87 CO 0.16 -0.67 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.60 2e7m s VAL 88 N 3.18 2.27 0.02 3.82 1.01 0.21 -2.59 120.40 128.32 2e7m s VAL 88 Ca 0.29 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2e7m s VAL 88 Cb -0.13 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 2e7m s VAL 88 CO 0.21 0.27 -0.00 -0.94 0.00 0.00 0.00 175.10 174.64 2e7m s SER 89 N 1.23 0.24 0.41 3.32 1.04 -1.26 0.38 113.70 119.06 2e7m s SER 89 Ca -0.01 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.94 2e7m s SER 89 Cb -0.16 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 2e7m s SER 89 CO -0.08 -0.35 0.04 -0.55 0.98 0.00 0.00 173.24 173.28 2e7m s SER 90 N -1.64 3.33 0.19 7.02 0.15 0.48 -4.44 113.70 118.78 2e7m s SER 90 Ca -0.13 -1.51 -0.21 0.00 0.70 0.00 0.00 55.95 54.80 2e7m s SER 90 Cb -0.07 0.10 0.12 0.00 -1.71 0.00 0.00 66.02 64.46 2e7m s SER 90 CO -0.02 -0.69 1.46 1.21 1.20 0.00 0.00 173.24 176.40 2e7m n GLU 91 N -0.96 -0.29 -1.96 5.44 2.13 -1.26 -0.91 120.64 122.83 2e7m n GLU 91 Ca -0.08 1.44 -0.27 0.00 0.66 0.00 0.00 57.16 58.91 2e7m n GLU 91 Cb 0.66 -2.13 0.03 0.00 0.27 0.00 0.00 31.44 30.28 2e7m n GLU 91 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2e7m n ASN 92 N -5.31 5.49 -3.57 4.31 0.23 -1.26 -4.97 115.26 110.18 2e7m n ASN 92 Ca 0.07 -3.76 -0.11 0.00 -0.53 0.00 0.00 54.58 50.25 2e7m n ASN 92 Cb 0.33 -0.50 -0.03 0.00 -2.08 0.00 0.00 39.78 37.50 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 -3.65 -1.23 -0.28 -2.53 0.00 -0.09 -0.56 121.76 113.42 2e7m s ALA 93 Ca 0.53 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 2e7m s ALA 93 Cb 0.43 0.82 0.10 0.00 0.00 0.00 0.00 23.12 24.46 2e7m s ALA 93 CO -0.02 -0.75 0.81 0.12 0.00 0.00 0.00 175.76 175.93 2e7m s PHE 94 N -3.80 -0.78 0.00 0.00 5.36 -1.02 -0.39 117.98 117.35 2e7m s PHE 94 Ca 0.04 1.72 -0.29 0.00 -0.96 0.00 0.00 56.93 57.44 2e7m s PHE 94 Cb -0.00 0.42 0.10 0.00 -0.34 0.00 0.00 43.02 43.20 2e7m s PHE 94 CO -0.10 -0.38 0.89 0.20 -1.46 0.00 0.00 175.22 174.37 2e7m s GLY 95 N 0.93 -0.46 0.07 13.12 0.00 0.16 -3.16 107.32 117.98 2e7m s GLY 95 Ca -0.04 0.98 -0.26 0.00 0.00 0.00 0.00 44.72 45.40 2e7m s GLY 95 CO -0.10 0.32 0.73 -1.83 0.00 0.00 0.00 173.10 172.22 2e7m s GLU 96 N -3.13 1.06 0.08 2.90 4.04 -1.26 0.64 118.70 123.04 2e7m s GLU 96 Ca 0.05 -0.33 0.01 0.00 0.04 0.00 0.00 54.97 54.74 2e7m s GLU 96 Cb -0.01 0.49 -0.00 0.00 0.02 0.00 0.00 34.13 34.63 2e7m s GLU 96 CO -0.09 -0.45 0.03 0.41 -1.84 0.00 0.00 175.26 173.32 2e7m n GLY 97 N -0.18 3.95 3.23 -3.83 0.00 -1.05 -4.37 105.19 102.93 2e7m n GLY 97 Ca -0.14 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.82 -0.65 0.03 1.61 0.08 -1.26 -3.70 117.98 112.26 2e7m s PHE 98 Ca 0.04 1.32 0.05 0.00 0.12 0.00 0.00 56.93 58.46 2e7m s PHE 98 Cb 0.00 0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 42.67 2e7m s PHE 98 CO 0.03 -0.40 -0.15 0.54 -0.10 0.00 0.00 175.22 175.14 2e7m s VAL 99 N 2.02 1.18 -0.00 -0.44 0.11 -0.81 -4.76 120.40 117.69 2e7m s VAL 99 Ca -0.05 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 2e7m s VAL 99 Cb -0.10 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2e7m s VAL 99 CO -0.12 0.12 0.02 0.20 -3.33 0.00 0.00 175.10 171.98 2e7m s ASN 100 N -0.92 5.25 -0.11 3.54 -0.87 -1.26 -1.45 114.94 119.12 2e7m s ASN 100 Ca 0.03 0.02 -0.04 0.00 -1.57 0.00 0.00 52.86 51.31 2e7m s ASN 100 Cb -0.07 -1.40 0.05 0.00 -0.02 0.00 0.00 41.25 39.80 2e7m s ASN 100 CO 0.01 0.28 0.11 -0.69 -2.57 0.00 0.00 177.10 174.23 2e7m s VAL 101 N -1.12 -0.15 0.10 1.60 1.01 0.24 -1.31 120.40 120.78 2e7m s VAL 101 Ca 0.20 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.38 2e7m s VAL 101 Cb -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2e7m s VAL 101 CO 0.11 -0.03 0.02 -0.89 0.00 0.00 0.00 175.10 174.31 2e7m s THR 102 N 2.20 4.07 -0.32 3.92 2.01 0.14 -1.20 115.64 126.46 2e7m s THR 102 Ca 0.04 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.07 2e7m s THR 102 Cb -0.14 -2.96 0.09 0.00 0.01 0.00 0.00 72.50 69.50 2e7m s THR 102 CO -0.07 0.09 0.02 -0.69 -0.69 0.00 0.00 174.62 173.28 2e7m s VAL 103 N -1.37 2.16 0.52 3.82 1.01 -1.18 -1.34 120.40 124.01 2e7m s VAL 103 Ca 0.27 -2.12 -0.20 0.00 0.00 0.00 0.00 61.98 59.93 2e7m s VAL 103 Cb -0.11 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 2e7m s VAL 103 CO 0.19 -0.47 1.13 -0.54 0.00 0.00 0.00 175.10 175.41 2e7m s LYS 104 N 1.00 3.49 0.44 2.72 -0.14 0.19 -3.86 119.74 123.57 2e7m s LYS 104 Ca 0.06 1.62 -0.24 0.00 -1.36 0.00 0.00 55.97 56.06 2e7m s LYS 104 Cb -0.19 -2.10 -0.08 0.00 -1.68 0.00 0.00 37.83 33.78 2e7m s LYS 104 CO -0.08 -0.74 1.17 -1.25 -0.76 0.00 0.00 175.35 173.69 2e7m s PRO 105 N -3.15 3.85 -0.30 -1.68 0.04 -1.26 -2.53 135.00 129.97 2e7m s PRO 105 Ca 0.70 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 2e7m s PRO 105 Cb -0.24 -2.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.73 2e7m s PRO 105 CO 0.28 -0.48 2.26 0.00 0.04 0.00 0.00 177.00 179.09 2e7m n ALA 106 N -0.30 1.50 -2.83 8.56 0.00 -1.26 -4.55 120.51 121.62 2e7m n ALA 106 Ca 0.06 -0.33 -0.44 0.00 0.00 0.00 0.00 53.44 52.74 2e7m n ALA 106 Cb 0.47 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2e7m n ALA 106 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2e7m n ARG 107 N 8.71 3.35 -4.40 0.00 1.85 -1.26 -4.94 116.66 119.96 2e7m n ARG 107 Ca 0.34 -3.71 -0.20 0.00 -1.00 0.00 0.00 57.85 53.27 2e7m n ARG 107 Cb 0.42 -3.12 -0.10 0.00 -1.05 0.00 0.00 32.46 28.61 2e7m n ARG 107 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2e7m s SER 108 N 2.95 1.93 0.00 2.89 0.01 -1.26 -5.00 113.70 115.22 2e7m s SER 108 Ca 0.45 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2e7m s SER 108 Cb -0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2e7m s SER 108 CO 0.02 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.50 2e7m n GLY 109 N -0.65 0.65 0.16 3.44 0.00 -1.26 -4.81 105.19 102.72 2e7m n GLY 109 Ca -0.02 -2.30 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 2e7m n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7m h PRO 110 N 8.87 0.47 -0.98 1.61 0.13 -2.00 -3.31 132.00 136.80 2e7m h PRO 110 Ca 0.00 -0.25 0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2e7m h PRO 110 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.02 2e7m h PRO 110 CO 0.00 0.82 -0.58 0.77 -0.23 0.00 0.00 178.00 178.78 2e7m h SER 111 N 0.14 -2.14 -2.92 1.44 0.02 -2.03 -3.36 113.55 104.70 2e7m h SER 111 Ca 0.03 0.33 -0.54 0.00 -0.84 0.00 0.00 61.79 60.77 2e7m h SER 111 Cb 0.73 0.95 0.01 0.00 0.14 0.00 0.00 62.40 64.23 2e7m h SER 111 CO 0.05 -0.23 0.81 -0.55 -1.14 0.00 0.00 176.83 175.77 2e7m s SER 112 N -5.47 6.80 0.00 3.07 0.15 -1.25 -5.21 113.70 111.80 2e7m s SER 112 Ca -0.12 2.26 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2e7m s SER 112 Cb 0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2e7m s SER 112 CO 0.61 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.95