#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3d s SER 2 N 0.00 4.54 -0.05 1.61 0.01 -1.26 -4.98 113.70 113.57 1x3d s SER 2 Ca 0.00 -1.85 -0.26 0.00 1.31 0.00 0.00 55.95 55.15 1x3d s SER 2 Cb 0.00 -1.50 -0.22 0.00 0.21 0.00 0.00 66.02 64.52 1x3d s SER 2 CO 0.00 -0.33 1.10 -1.28 0.41 0.00 0.00 173.24 173.15 1x3d h SER 3 N 7.72 0.06 -4.82 2.44 0.87 -2.15 -3.50 113.55 114.17 1x3d h SER 3 Ca -0.10 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1x3d h SER 3 Cb 1.03 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1x3d h SER 3 CO 0.49 0.72 0.00 0.61 -0.53 0.00 0.00 176.83 178.12 1x3d n GLY 4 N 0.72 2.72 3.17 5.77 0.00 -1.26 -5.09 105.19 111.21 1x3d n GLY 4 Ca -0.09 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 43.90 1x3d n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3d s SER 5 N 0.00 -1.32 0.13 1.61 0.01 -1.26 -5.17 113.70 107.70 1x3d s SER 5 Ca 0.00 0.89 0.04 0.00 1.31 0.00 0.00 55.95 58.19 1x3d s SER 5 Cb 0.00 2.14 -0.04 0.00 0.21 0.00 0.00 66.02 68.33 1x3d s SER 5 CO 0.00 -0.26 -0.10 -0.94 0.41 0.00 0.00 173.24 172.35 1x3d s SER 6 N 2.85 1.68 0.00 2.44 1.04 -1.26 -5.14 113.70 115.31 1x3d s SER 6 Ca 0.19 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1x3d s SER 6 Cb -0.15 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1x3d s SER 6 CO -0.21 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1x3d n GLY 7 N 0.14 4.20 3.08 7.32 0.00 -1.26 -5.17 105.19 113.50 1x3d n GLY 7 Ca -0.13 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1x3d n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s ALA 8 N -1.77 0.68 1.07 4.61 0.00 -1.26 -5.15 121.76 119.94 1x3d s ALA 8 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 1x3d s ALA 8 Cb 0.00 0.04 0.16 0.00 0.00 0.00 0.00 23.12 23.32 1x3d s ALA 8 CO 0.00 -0.01 0.24 0.39 0.00 0.00 0.00 175.76 176.38 1x3d n GLU 9 N 1.31 -2.26 -1.04 0.00 4.71 -1.26 -4.72 120.64 117.38 1x3d n GLU 9 Ca -0.22 -0.66 -0.38 0.00 -0.01 0.00 0.00 57.16 55.89 1x3d n GLU 9 Cb 0.55 -1.55 -0.04 0.00 -1.01 0.00 0.00 31.44 29.39 1x3d n GLU 9 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1x3d n ILE 10 N -4.50 0.84 -1.53 -3.67 2.08 -1.26 -4.53 119.36 106.78 1x3d n ILE 10 Ca 0.05 -0.21 -0.30 0.00 0.56 0.00 0.00 62.75 62.85 1x3d n ILE 10 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.24 1x3d n ILE 10 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1x3d n PHE 11 N 0.46 0.96 -4.07 1.39 3.72 -1.26 -4.87 117.46 113.78 1x3d n PHE 11 Ca 0.14 0.13 -0.09 0.00 -0.05 0.00 0.00 57.45 57.58 1x3d n PHE 11 Cb 0.13 -2.27 -0.10 0.00 -0.94 0.00 0.00 39.48 36.29 1x3d n PHE 11 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1x3d s THR 12 N 10.41 0.34 0.17 4.37 -4.23 -1.26 -5.17 115.64 120.27 1x3d s THR 12 Ca 1.11 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 60.20 1x3d s THR 12 Cb -0.51 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 1x3d s THR 12 CO 0.32 -0.75 -0.07 0.42 -0.54 0.00 0.00 174.62 173.99 1x3d s THR 13 N -2.85 3.36 -0.11 3.99 -4.23 -1.26 -5.11 115.64 109.43 1x3d s THR 13 Ca -0.00 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1x3d s THR 13 Cb 0.00 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.20 1x3d s THR 13 CO -0.05 -0.07 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.03 1x3d s LEU 14 N -2.75 1.81 -1.47 4.79 1.02 -1.26 -5.03 118.68 115.78 1x3d s LEU 14 Ca 0.25 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.85 1x3d s LEU 14 Cb -0.09 -1.16 -0.06 0.00 0.02 0.00 0.00 46.19 44.90 1x3d s LEU 14 CO 0.16 0.04 2.90 -1.54 0.02 0.00 0.00 176.35 177.93 1x3d n SER 15 N 4.11 8.44 0.04 2.29 3.41 -1.26 -4.09 113.62 126.56 1x3d n SER 15 Ca -0.19 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1x3d n SER 15 Cb 0.51 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1x3d n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x3d s GLU 17 N -2.00 1.04 1.22 0.00 1.03 -1.26 -3.94 118.70 114.80 1x3d s GLU 17 Ca 0.00 -0.06 -0.20 0.00 0.03 0.00 0.00 54.97 54.75 1x3d s GLU 17 Cb 0.00 0.48 0.29 0.00 -0.80 0.00 0.00 34.13 34.11 1x3d s GLU 17 CO 0.00 -0.36 1.11 -1.25 -1.33 0.00 0.00 175.26 173.43 1x3d s PRO 18 N -1.98 -1.36 0.62 -4.83 0.04 -1.26 -4.94 135.00 121.29 1x3d s PRO 18 Ca -0.08 -0.12 -0.11 0.00 0.04 0.00 0.00 61.00 60.73 1x3d s PRO 18 Cb -0.01 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 1x3d s PRO 18 CO 0.02 -3.80 1.03 0.34 0.04 0.00 0.00 177.00 174.64 1x3d s ASP 19 N -3.94 6.18 -0.15 6.66 2.15 -1.26 -4.59 116.67 121.72 1x3d s ASP 19 Ca 0.71 1.40 -0.29 0.00 0.43 0.00 0.00 52.55 54.80 1x3d s ASP 19 Cb -0.09 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 1x3d s ASP 19 CO 0.56 -0.90 1.41 -0.63 -0.17 0.00 0.00 175.17 175.44 1x3d s ILE 20 N -3.19 4.03 0.95 4.11 1.01 -1.26 -4.72 121.20 122.12 1x3d s ILE 20 Ca 0.55 1.23 -0.12 0.00 0.00 0.00 0.00 60.65 62.31 1x3d s ILE 20 Cb -0.11 -3.83 0.16 0.00 0.01 0.00 0.00 42.46 38.69 1x3d s ILE 20 CO 0.54 -0.15 1.09 -2.16 0.00 0.00 0.00 174.94 174.26 1x3d s PRO 21 N 3.80 0.81 0.51 2.79 0.04 -1.26 -4.93 135.00 136.76 1x3d s PRO 21 Ca 0.61 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 1x3d s PRO 21 Cb -0.25 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1x3d s PRO 21 CO 0.21 -2.51 0.99 -0.80 0.04 0.00 0.00 177.00 174.93 1x3d s ASN 22 N -3.44 6.55 0.46 6.66 -0.87 -1.26 -4.22 114.94 118.82 1x3d s ASN 22 Ca 0.64 1.65 -0.23 0.00 -1.57 0.00 0.00 52.86 53.36 1x3d s ASN 22 Cb -0.18 -2.52 -0.07 0.00 -0.02 0.00 0.00 41.25 38.45 1x3d s ASN 22 CO 0.57 -0.64 1.17 -2.16 -2.57 0.00 0.00 177.10 173.47 1x3d s PRO 23 N -3.84 3.76 0.54 -0.60 0.04 -1.26 -4.74 135.00 128.90 1x3d s PRO 23 Ca 0.61 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 63.23 1x3d s PRO 23 Cb -0.11 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 1x3d s PRO 23 CO 0.28 -0.55 1.13 -1.25 0.04 0.00 0.00 177.00 176.65 1x3d s PRO 24 N -2.69 3.39 0.51 0.56 0.04 -1.26 -4.87 135.00 130.67 1x3d s PRO 24 Ca 0.63 1.62 0.07 0.00 0.04 0.00 0.00 61.00 63.37 1x3d s PRO 24 Cb -0.29 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.25 1x3d s PRO 24 CO 0.35 -0.83 0.49 -0.98 0.04 0.00 0.00 177.00 176.07 1x3d s ARG 25 N -3.24 2.36 -0.27 4.56 1.70 0.70 -4.89 118.95 119.86 1x3d s ARG 25 Ca 0.72 -1.78 -0.11 0.00 -0.47 0.00 0.00 55.73 54.09 1x3d s ARG 25 Cb -0.24 -2.32 -0.05 0.00 -0.57 0.00 0.00 34.95 31.77 1x3d s ARG 25 CO 0.27 -0.54 0.20 0.42 -1.08 0.00 0.00 175.30 174.57 1x3d s ILE 26 N -2.65 5.31 -0.29 4.99 -1.09 -1.26 -1.78 121.20 124.43 1x3d s ILE 26 Ca 0.45 0.21 0.11 0.00 -2.23 0.00 0.00 60.65 59.19 1x3d s ILE 26 Cb -0.03 -3.54 -0.14 0.00 -1.58 0.00 0.00 42.46 37.16 1x3d s ILE 26 CO 0.27 0.27 0.36 0.00 -1.23 0.00 0.00 174.94 174.62 1x3d n ALA 27 N 4.86 2.96 -3.29 9.38 0.00 -1.18 -4.95 120.51 128.30 1x3d n ALA 27 Ca -0.14 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.04 1x3d n ALA 27 Cb 0.52 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1x3d n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x3d s ASN 28 N -2.59 -0.39 -0.16 0.00 3.84 -1.25 -5.01 114.94 109.39 1x3d s ASN 28 Ca 0.00 0.49 -0.02 0.00 0.21 0.00 0.00 52.86 53.55 1x3d s ASN 28 Cb 0.08 1.43 -0.01 0.00 -0.55 0.00 0.00 41.25 42.19 1x3d s ASN 28 CO 0.45 -0.07 -0.09 -0.13 -2.79 0.00 0.00 177.10 174.46 1x3d s ARG 29 N 2.39 3.42 0.06 0.43 0.52 -1.26 -0.03 118.95 124.47 1x3d s ARG 29 Ca -0.01 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.58 1x3d s ARG 29 Cb -0.05 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1x3d s ARG 29 CO -0.16 0.10 -0.10 0.95 0.02 0.00 0.00 175.30 176.11 1x3d s THR 30 N 0.68 0.72 -2.00 0.02 -4.23 -0.46 -4.47 115.64 105.89 1x3d s THR 30 Ca -0.05 -1.21 0.11 0.00 -1.18 0.00 0.00 61.69 59.37 1x3d s THR 30 Cb -0.15 -0.81 0.32 0.00 1.34 0.00 0.00 72.50 73.19 1x3d s THR 30 CO 0.02 -0.37 1.14 0.29 -0.54 0.00 0.00 174.62 175.17 1x3d n LYS 31 N 1.30 0.60 0.00 3.99 5.02 -1.26 -2.35 118.16 125.46 1x3d n LYS 31 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1x3d n LYS 31 Cb 0.55 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1x3d n LYS 31 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x3d n ASN 32 N -0.79 1.53 -3.39 4.39 5.03 -1.26 -3.20 115.26 117.58 1x3d n ASN 32 Ca 0.08 -0.14 -0.10 0.00 0.87 0.00 0.00 54.58 55.29 1x3d n ASN 32 Cb 0.04 0.58 -0.02 0.00 -1.02 0.00 0.00 39.78 39.36 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1x3d s SER 33 N -0.89 0.23 -0.20 6.41 0.01 -0.99 -0.46 113.70 117.81 1x3d s SER 33 Ca 0.00 -1.14 -0.05 0.00 1.31 0.00 0.00 55.95 56.08 1x3d s SER 33 Cb 0.00 0.72 0.10 0.00 0.21 0.00 0.00 66.02 67.05 1x3d s SER 33 CO 0.00 -1.40 0.36 -0.76 0.41 0.00 0.00 173.24 171.84 1x3d s LEU 34 N -3.09 -0.53 -0.07 2.44 1.43 -0.62 -1.36 118.68 116.89 1x3d s LEU 34 Ca 0.21 0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 53.70 1x3d s LEU 34 Cb -0.03 1.06 -0.05 0.00 0.03 0.00 0.00 46.19 47.21 1x3d s LEU 34 CO 0.13 -0.26 0.43 -0.89 0.23 0.00 0.00 176.35 175.98 1x3d s THR 35 N 2.53 5.12 -0.05 5.49 2.01 0.96 -2.24 115.64 129.45 1x3d s THR 35 Ca 0.05 0.86 0.00 0.00 0.31 0.00 0.00 61.69 62.91 1x3d s THR 35 Cb -0.14 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1x3d s THR 35 CO -0.13 0.45 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.46 1x3d s LEU 36 N -0.18 1.09 -0.07 4.42 1.43 -0.93 -3.09 118.68 121.34 1x3d s LEU 36 Ca 0.24 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1x3d s LEU 36 Cb -0.16 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1x3d s LEU 36 CO 0.11 -0.10 -0.21 -1.10 0.23 0.00 0.00 176.35 175.28 1x3d s GLN 37 N 1.28 2.68 0.37 1.70 -0.21 -0.73 -2.82 119.66 121.92 1x3d s GLN 37 Ca -0.05 -0.82 0.05 0.00 0.02 0.00 0.00 55.36 54.56 1x3d s GLN 37 Cb -0.14 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 1x3d s GLN 37 CO -0.02 0.41 0.19 1.67 -2.12 0.00 0.00 175.29 175.42 1x3d s TRP 38 N -0.21 1.75 0.50 0.91 -2.14 -1.08 -0.22 118.94 118.44 1x3d s TRP 38 Ca -0.01 -1.45 0.02 0.00 2.66 0.00 0.00 56.10 57.32 1x3d s TRP 38 Cb -0.13 -0.96 -0.02 0.00 -3.10 0.00 0.00 33.47 29.26 1x3d s TRP 38 CO 0.03 -0.55 0.01 0.15 -2.66 0.00 0.00 176.95 173.93 1x3d s LYS 39 N -3.62 2.16 -0.17 3.25 1.02 -1.26 -4.85 119.74 116.27 1x3d s LYS 39 Ca 0.31 -2.36 -0.08 0.00 0.02 0.00 0.00 55.97 53.85 1x3d s LYS 39 Cb 0.02 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.79 1x3d s LYS 39 CO 0.20 -0.33 0.12 0.00 -0.92 0.00 0.00 175.35 174.42 1x3d s ALA 40 N -2.88 3.71 1.00 5.17 0.00 -1.26 -4.78 121.76 122.73 1x3d s ALA 40 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1x3d s ALA 40 Cb 0.03 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1x3d s ALA 40 CO 0.05 0.33 0.00 -0.35 0.00 0.00 0.00 175.76 175.79 1x3d n PRO 41 N 2.95 -0.68 -2.93 0.00 -0.04 -1.26 -4.96 135.00 128.08 1x3d n PRO 41 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 1x3d n PRO 41 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 1x3d n PRO 41 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3d s SER 42 N -1.51 6.49 -1.05 3.54 0.01 -1.26 -4.96 113.70 114.96 1x3d s SER 42 Ca 0.00 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.14 1x3d s SER 42 Cb 0.00 -2.40 -0.14 0.00 0.21 0.00 0.00 66.02 63.69 1x3d s SER 42 CO 0.00 -0.86 2.07 1.51 0.41 0.00 0.00 173.24 176.37 1x3d s ASP 43 N 2.03 4.32 -0.37 2.44 -4.77 -1.26 -4.56 116.67 114.50 1x3d s ASP 43 Ca 0.32 -1.03 -0.11 0.00 -3.30 0.00 0.00 52.55 48.43 1x3d s ASP 43 Cb -0.12 -2.58 0.03 0.00 -1.09 0.00 0.00 42.92 39.15 1x3d s ASP 43 CO 0.21 -3.73 0.21 0.54 0.70 0.00 0.00 175.17 173.09 1x3d s ASN 44 N 8.07 5.73 0.00 2.11 4.22 -1.26 -4.51 114.94 129.30 1x3d s ASN 44 Ca 0.77 -0.99 0.00 0.00 -2.14 0.00 0.00 52.86 50.50 1x3d s ASN 44 Cb -0.05 -2.02 0.00 0.00 1.28 0.00 0.00 41.25 40.46 1x3d s ASN 44 CO 0.12 -0.38 0.00 0.61 -2.04 0.00 0.00 177.10 175.41 1x3d n GLY 45 N 5.00 3.20 3.56 0.45 0.00 -1.26 -4.60 105.19 111.53 1x3d n GLY 45 Ca -0.12 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 46 N 0.00 -0.24 0.16 1.61 0.15 -1.26 -5.12 113.70 109.00 1x3d s SER 46 Ca 0.00 0.01 -0.32 0.00 0.70 0.00 0.00 55.95 56.34 1x3d s SER 46 Cb 0.00 0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 64.46 1x3d s SER 46 CO 0.00 -0.40 1.58 -1.59 1.20 0.00 0.00 173.24 174.03 1x3d s LYS 47 N -2.69 4.21 -0.13 5.44 -2.85 -1.26 -4.83 119.74 117.64 1x3d s LYS 47 Ca 0.07 2.36 -0.29 0.00 -1.00 0.00 0.00 55.97 57.11 1x3d s LYS 47 Cb -0.01 -3.18 -0.04 0.00 -2.06 0.00 0.00 37.83 32.54 1x3d s LYS 47 CO -0.06 -0.62 1.57 0.42 0.10 0.00 0.00 175.35 176.75 1x3d s ILE 48 N 1.24 3.75 0.00 3.79 1.01 -1.26 -4.41 121.20 125.33 1x3d s ILE 48 Ca 0.70 0.90 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1x3d s ILE 48 Cb -0.44 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1x3d s ILE 48 CO 0.31 -0.15 0.98 0.00 0.00 0.00 0.00 174.94 176.08 1x3d n GLN 49 N 7.19 0.00 -3.86 2.79 6.02 -0.51 -4.92 117.38 124.10 1x3d n GLN 49 Ca 0.17 0.73 -0.14 0.00 -0.01 0.00 0.00 57.00 57.74 1x3d n GLN 49 Cb 0.44 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 1x3d n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x3d n ASN 50 N -2.42 -1.14 -4.54 1.08 0.23 -1.23 -4.73 115.26 102.50 1x3d n ASN 50 Ca 0.00 -2.81 -0.35 0.00 -0.53 0.00 0.00 54.58 50.89 1x3d n ASN 50 Cb 0.00 2.20 -0.11 0.00 -2.08 0.00 0.00 39.78 39.79 1x3d n ASN 50 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1x3d s PHE 51 N -3.10 3.12 -0.32 -2.53 0.08 0.29 -3.31 117.98 112.22 1x3d s PHE 51 Ca 0.29 -0.18 -0.10 0.00 0.12 0.00 0.00 56.93 57.05 1x3d s PHE 51 Cb -0.00 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1x3d s PHE 51 CO 0.21 -0.03 0.17 0.08 -0.10 0.00 0.00 175.22 175.55 1x3d s VAL 52 N 0.62 4.70 0.18 -0.44 1.01 -0.68 -2.26 120.40 123.52 1x3d s VAL 52 Ca 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1x3d s VAL 52 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1x3d s VAL 52 CO 0.02 0.03 0.16 -0.22 0.00 0.00 0.00 175.10 175.09 1x3d s LEU 53 N 1.62 3.85 -0.01 3.92 2.96 0.13 -2.32 118.68 128.83 1x3d s LEU 53 Ca 0.05 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 1x3d s LEU 53 Cb -0.17 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1x3d s LEU 53 CO 0.07 0.05 0.23 -1.61 -1.32 0.00 0.00 176.35 173.77 1x3d s GLU 54 N -3.23 0.59 0.11 1.98 2.02 -0.99 -0.77 118.70 118.41 1x3d s GLU 54 Ca 0.31 -0.29 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 1x3d s GLU 54 Cb -0.10 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.42 1x3d s GLU 54 CO 0.24 -0.15 0.39 1.67 0.02 0.00 0.00 175.26 177.43 1x3d s TRP 55 N -1.36 -0.20 -0.40 1.61 1.48 -1.12 -1.87 118.94 117.09 1x3d s TRP 55 Ca -0.14 -0.06 -0.00 0.00 -1.06 0.00 0.00 56.10 54.83 1x3d s TRP 55 Cb -0.06 0.23 0.32 0.00 -1.16 0.00 0.00 33.47 32.80 1x3d s TRP 55 CO 0.03 -0.67 1.93 -0.25 -4.06 0.00 0.00 176.95 173.93 1x3d n ASP 56 N -0.06 6.09 -2.93 -2.66 8.00 -1.22 -3.27 116.55 120.51 1x3d n ASP 56 Ca -0.17 -3.24 -0.18 0.00 0.71 0.00 0.00 54.79 51.92 1x3d n ASP 56 Cb 0.63 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x3d n GLU 57 N -0.17 -1.50 -4.39 -1.24 1.02 -1.26 0.18 120.64 113.27 1x3d n GLU 57 Ca 0.40 0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 57.24 1x3d n GLU 57 Cb 0.75 -3.31 -0.09 0.00 -0.02 0.00 0.00 31.44 28.77 1x3d n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3d n GLY 58 N -0.67 -0.22 0.11 0.62 0.00 -1.26 -4.84 105.19 98.93 1x3d n GLY 58 Ca 0.05 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 1x3d n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3d n LYS 59 N -4.38 0.54 0.00 1.61 5.02 0.13 -4.73 118.16 116.35 1x3d n LYS 59 Ca -0.16 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1x3d n LYS 59 Cb 0.61 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1x3d n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x3d n GLY 60 N 1.42 0.94 0.48 0.72 0.00 -1.26 -5.04 105.19 102.44 1x3d n GLY 60 Ca -0.30 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1x3d n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x3d n ASN 61 N 0.00 2.01 0.00 1.61 3.02 -1.26 -5.06 115.26 115.57 1x3d n ASN 61 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1x3d n ASN 61 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x3d n GLY 62 N 3.17 1.74 3.24 7.41 0.00 -1.26 -5.13 105.19 114.37 1x3d n GLY 62 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1x3d n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x3d s GLU 63 N -0.12 3.21 -0.20 1.61 1.03 -1.26 -5.10 118.70 117.87 1x3d s GLU 63 Ca 0.00 -0.73 -0.06 0.00 0.03 0.00 0.00 54.97 54.21 1x3d s GLU 63 Cb 0.00 -2.72 -0.03 0.00 -0.80 0.00 0.00 34.13 30.58 1x3d s GLU 63 CO 0.00 -0.10 0.02 -0.06 -1.33 0.00 0.00 175.26 173.79 1x3d s PHE 64 N 1.11 3.08 0.12 4.83 0.40 -1.26 -3.79 117.98 122.47 1x3d s PHE 64 Ca 0.00 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1x3d s PHE 64 Cb -0.14 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1x3d s PHE 64 CO -0.04 -0.17 -0.10 0.00 0.70 0.00 0.00 175.22 175.61 1x3d n GLN 66 N 0.15 2.07 -0.03 0.00 7.27 -1.26 -2.78 117.38 122.79 1x3d n GLN 66 Ca -0.13 0.76 -0.07 0.00 0.07 0.00 0.00 57.00 57.63 1x3d n GLN 66 Cb 0.59 -2.57 -0.02 0.00 2.41 0.00 0.00 30.24 30.65 1x3d n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x3d s TYR 68 N -2.12 1.41 -0.18 0.00 5.04 -1.22 -4.99 117.35 115.29 1x3d s TYR 68 Ca -0.09 -0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 53.75 1x3d s TYR 68 Cb 0.04 -1.19 0.05 0.00 0.35 0.00 0.00 41.96 41.21 1x3d s TYR 68 CO 0.12 -0.53 -0.02 1.41 -1.34 0.00 0.00 175.55 175.18 1x3d s MET 69 N 1.73 1.20 0.00 4.97 -2.45 -1.26 0.18 119.30 123.68 1x3d s MET 69 Ca 0.03 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 53.92 1x3d s MET 69 Cb -0.14 -2.10 0.00 0.00 1.25 0.00 0.00 34.83 33.84 1x3d s MET 69 CO -0.08 -0.52 0.00 0.41 1.05 0.00 0.00 175.02 175.89 1x3d n GLY 70 N 4.90 -1.02 0.20 2.11 0.00 -0.96 -4.95 105.19 105.47 1x3d n GLY 70 Ca -0.11 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 1x3d n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3d h SER 71 N 0.00 0.77 -2.03 1.61 0.87 -1.88 0.86 113.55 113.75 1x3d h SER 71 Ca 0.00 -0.59 -0.63 0.00 -1.23 0.00 0.00 61.79 59.34 1x3d h SER 71 Cb 0.00 -0.22 0.11 0.00 -0.44 0.00 0.00 62.40 61.84 1x3d h SER 71 CO 0.00 1.23 -0.06 0.00 -0.53 0.00 0.00 176.83 177.47 1x3d n GLN 72 N -4.14 0.95 -1.15 2.24 6.02 -1.26 -4.72 117.38 115.32 1x3d n GLN 72 Ca -0.07 0.33 -0.20 0.00 -0.01 0.00 0.00 57.00 57.05 1x3d n GLN 72 Cb 0.62 -1.60 0.18 0.00 1.02 0.00 0.00 30.24 30.46 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x3d n LYS 73 N 0.83 2.17 -3.68 -1.09 5.02 -1.26 -4.82 118.16 115.33 1x3d n LYS 73 Ca 0.12 -3.05 -0.10 0.00 -2.02 0.00 0.00 58.31 53.27 1x3d n LYS 73 Cb 0.30 -2.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.10 1x3d n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x3d s GLN 74 N -3.29 0.50 0.03 1.97 0.74 -1.26 -2.65 119.66 115.69 1x3d s GLN 74 Ca 0.55 0.92 0.02 0.00 0.05 0.00 0.00 55.36 56.89 1x3d s GLN 74 Cb 0.47 0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.60 1x3d s GLN 74 CO 0.09 -0.15 -0.07 0.12 -0.55 0.00 0.00 175.29 174.73 1x3d s PHE 75 N 1.41 0.58 -0.25 1.67 5.36 -1.13 -5.04 117.98 120.58 1x3d s PHE 75 Ca -0.09 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 1x3d s PHE 75 Cb -0.07 -0.35 0.07 0.00 -0.34 0.00 0.00 43.02 42.33 1x3d s PHE 75 CO -0.14 -0.06 -0.00 0.21 -1.46 0.00 0.00 175.22 173.76 1x3d s LYS 76 N -1.09 1.29 -0.48 10.12 2.20 -1.26 -2.20 119.74 128.32 1x3d s LYS 76 Ca -0.06 -0.99 -0.28 0.00 -0.36 0.00 0.00 55.97 54.28 1x3d s LYS 76 Cb -0.07 -2.46 0.03 0.00 -1.51 0.00 0.00 37.83 33.81 1x3d s LYS 76 CO 0.00 -0.71 1.07 0.42 -0.36 0.00 0.00 175.35 175.77 1x3d s ILE 77 N 1.47 4.28 0.60 5.43 1.01 -0.95 -4.88 121.20 128.17 1x3d s ILE 77 Ca -0.01 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.69 1x3d s ILE 77 Cb -0.18 -4.56 0.07 0.00 0.01 0.00 0.00 42.46 37.80 1x3d s ILE 77 CO -0.10 -0.98 0.84 0.42 0.00 0.00 0.00 174.94 175.12 1x3d s THR 78 N 4.25 2.46 -0.93 2.92 -4.23 -1.26 -1.58 115.64 117.26 1x3d s THR 78 Ca 0.44 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 1x3d s THR 78 Cb -0.08 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1x3d s THR 78 CO 0.30 0.00 0.79 0.29 -0.54 0.00 0.00 174.62 175.45 1x3d n LYS 79 N -2.48 -4.26 -3.44 3.99 4.76 -0.21 -4.91 118.16 111.61 1x3d n LYS 79 Ca 0.11 0.69 -0.19 0.00 -2.87 0.00 0.00 58.31 56.06 1x3d n LYS 79 Cb 0.60 -5.15 -0.03 0.00 -1.84 0.00 0.00 35.03 28.61 1x3d n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x3d n LEU 80 N -3.33 0.00 -4.17 -0.35 4.77 0.39 -5.00 117.00 109.31 1x3d n LEU 80 Ca -0.18 -1.85 -0.14 0.00 -0.03 0.00 0.00 56.01 53.82 1x3d n LEU 80 Cb 0.62 0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.77 1x3d n LEU 80 CO 0.49 -0.30 -0.41 -0.94 -1.33 0.00 0.00 177.39 174.89 1x3d s SER 81 N -2.70 1.40 1.11 -1.43 1.04 -1.24 -4.23 113.70 107.64 1x3d s SER 81 Ca 0.04 -0.84 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 1x3d s SER 81 Cb -0.00 0.02 0.24 0.00 0.10 0.00 0.00 66.02 66.38 1x3d s SER 81 CO 0.02 -0.29 1.10 -2.16 0.98 0.00 0.00 173.24 172.89 1x3d s PRO 82 N -2.93 -0.44 -1.34 4.02 0.04 -1.19 -3.81 135.00 129.36 1x3d s PRO 82 Ca 0.06 0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.21 1x3d s PRO 82 Cb -0.02 -1.66 0.11 0.00 0.04 0.00 0.00 34.50 32.98 1x3d s PRO 82 CO -0.01 -3.25 0.29 0.00 0.04 0.00 0.00 177.00 174.07 1x3d n ALA 83 N -4.49 -1.23 -3.89 8.56 0.00 -1.23 -4.85 120.51 113.38 1x3d n ALA 83 Ca 0.09 -0.22 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1x3d n ALA 83 Cb 0.58 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 1x3d n ALA 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x3d s MET 84 N -5.95 2.04 -0.11 0.00 0.00 -1.25 -4.98 119.30 109.05 1x3d s MET 84 Ca 0.40 -2.42 -0.29 0.00 0.00 0.00 0.00 55.69 53.38 1x3d s MET 84 Cb -0.23 -3.42 -0.07 0.00 0.00 0.00 0.00 34.83 31.10 1x3d s MET 84 CO 0.77 -1.09 2.12 0.41 0.00 0.00 0.00 175.02 177.23 1x3d n GLY 85 N 3.49 1.37 3.02 2.11 0.00 -1.26 -4.13 105.19 109.80 1x3d n GLY 85 Ca 0.05 0.80 -0.23 0.00 0.00 0.00 0.00 46.02 46.64 1x3d n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s LYS 87 N 0.47 2.92 0.28 0.00 1.02 -1.26 -1.88 119.74 121.30 1x3d s LYS 87 Ca -0.10 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.02 1x3d s LYS 87 Cb -0.13 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1x3d s LYS 87 CO 0.02 -0.29 0.47 -0.06 -0.92 0.00 0.00 175.35 174.57 1x3d s PHE 88 N -2.48 0.63 -0.28 3.18 0.40 -0.77 -3.41 117.98 115.25 1x3d s PHE 88 Ca 0.50 -0.96 -0.19 0.00 -0.60 0.00 0.00 56.93 55.68 1x3d s PHE 88 Cb -0.10 0.09 0.11 0.00 0.51 0.00 0.00 43.02 43.63 1x3d s PHE 88 CO 0.36 -1.05 0.88 -0.98 0.70 0.00 0.00 175.22 175.13 1x3d s ARG 89 N -3.61 0.54 -0.11 0.44 1.70 -0.78 -2.79 118.95 114.34 1x3d s ARG 89 Ca 0.26 0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 56.34 1x3d s ARG 89 Cb -0.00 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 1x3d s ARG 89 CO 0.13 -0.10 -0.07 -1.17 -1.08 0.00 0.00 175.30 173.01 1x3d s LEU 90 N 1.08 3.11 -0.00 -1.89 2.96 -1.26 -2.34 118.68 120.33 1x3d s LEU 90 Ca -0.06 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1x3d s LEU 90 Cb -0.04 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 1x3d s LEU 90 CO -0.13 0.26 0.05 -0.94 -1.32 0.00 0.00 176.35 174.28 1x3d s SER 91 N -0.20 0.06 -0.13 3.68 1.04 -0.98 -0.92 113.70 116.25 1x3d s SER 91 Ca 0.03 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.22 1x3d s SER 91 Cb -0.13 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1x3d s SER 91 CO 0.03 -0.22 0.08 0.00 0.98 0.00 0.00 173.24 174.11 1x3d s ALA 92 N -0.88 3.58 -0.07 5.32 0.00 -1.26 -1.69 121.76 126.76 1x3d s ALA 92 Ca -0.10 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1x3d s ALA 92 Cb -0.06 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1x3d s ALA 92 CO 0.00 0.48 -0.12 0.50 0.00 0.00 0.00 175.76 176.62 1x3d s ARG 93 N -0.58 1.68 0.45 0.00 3.52 -1.21 -0.24 118.95 122.57 1x3d s ARG 93 Ca 0.11 -0.40 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 1x3d s ARG 93 Cb -0.12 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.83 1x3d s ARG 93 CO 0.02 0.01 0.13 0.54 -0.81 0.00 0.00 175.30 175.20 1x3d s ASN 94 N 0.72 4.27 0.41 -2.12 2.20 -0.94 -1.42 114.94 118.05 1x3d s ASN 94 Ca -0.14 -1.28 0.36 0.00 -0.94 0.00 0.00 52.86 50.86 1x3d s ASN 94 Cb -0.16 -0.15 1.30 0.00 -2.00 0.00 0.00 41.25 40.24 1x3d s ASN 94 CO 0.03 -0.65 1.21 -0.67 -2.94 0.00 0.00 177.10 174.08 1x3d n ASP 95 N -1.25 0.04 0.06 3.54 -0.08 -1.26 -0.28 116.55 117.32 1x3d n ASP 95 Ca -0.06 0.85 -0.03 0.00 -1.51 0.00 0.00 54.79 54.05 1x3d n ASP 95 Cb 0.66 -0.42 -0.01 0.00 2.34 0.00 0.00 41.12 43.68 1x3d n ASP 95 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1x3d h TYR 96 N 0.00 -0.16 0.00 -0.67 -1.99 -1.93 -3.50 116.97 108.71 1x3d h TYR 96 Ca 0.72 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.45 1x3d h TYR 96 Cb 2.76 0.05 0.00 0.00 2.00 0.00 0.00 36.73 41.55 1x3d h TYR 96 CO -0.00 -0.10 0.00 0.41 -0.00 0.00 0.00 178.16 178.47 1x3d n GLY 97 N 0.85 -0.64 3.72 3.88 0.00 0.62 -5.04 105.19 108.57 1x3d n GLY 97 Ca -0.02 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1x3d n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x3d s THR 98 N -2.00 4.23 0.41 2.61 2.01 -1.26 -2.22 115.64 119.42 1x3d s THR 98 Ca 0.00 1.66 -0.04 0.00 0.31 0.00 0.00 61.69 63.62 1x3d s THR 98 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1x3d s THR 98 CO 0.00 0.16 0.69 -0.94 -0.69 0.00 0.00 174.62 173.84 1x3d s SER 99 N 0.80 6.32 0.32 3.53 1.04 0.67 -4.94 113.70 121.43 1x3d s SER 99 Ca 0.55 0.79 -0.14 0.00 0.48 0.00 0.00 55.95 57.62 1x3d s SER 99 Cb -0.27 -2.18 -0.11 0.00 0.10 0.00 0.00 66.02 63.56 1x3d s SER 99 CO 0.30 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x3d n GLY 100 N -1.87 -2.10 3.80 7.32 0.00 -1.26 -4.37 105.19 106.71 1x3d n GLY 100 Ca -0.01 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1x3d n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x3d s PHE 101 N -1.29 3.82 0.84 1.61 0.40 -1.26 -4.52 117.98 117.58 1x3d s PHE 101 Ca 0.42 1.41 -0.11 0.00 -0.60 0.00 0.00 56.93 58.05 1x3d s PHE 101 Cb -0.42 -2.60 0.17 0.00 0.51 0.00 0.00 43.02 40.68 1x3d s PHE 101 CO 0.46 0.54 0.39 -1.13 0.70 0.00 0.00 175.22 176.17 1x3d n SER 102 N 1.55 -2.81 -4.68 1.36 3.41 -0.10 -4.84 113.62 107.51 1x3d n SER 102 Ca -0.08 -0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 57.72 1x3d n SER 102 Cb 0.50 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 1x3d n SER 102 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x3d s GLU 103 N -3.31 4.32 0.27 4.33 2.02 -1.26 -4.79 118.70 120.29 1x3d s GLU 103 Ca 0.30 1.70 -0.28 0.00 0.02 0.00 0.00 54.97 56.71 1x3d s GLU 103 Cb -0.05 -3.60 -0.15 0.00 0.10 0.00 0.00 34.13 30.44 1x3d s GLU 103 CO 0.25 -0.50 0.90 0.39 0.02 0.00 0.00 175.26 176.32 1x3d n GLU 104 N 5.46 1.06 -4.35 1.61 1.02 -1.26 -4.80 120.64 119.38 1x3d n GLU 104 Ca 0.12 0.37 -0.24 0.00 -0.02 0.00 0.00 57.16 57.39 1x3d n GLU 104 Cb 0.46 -1.67 -0.17 0.00 -0.02 0.00 0.00 31.44 30.04 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1x3d s VAL 105 N -1.05 0.94 -0.22 2.62 -7.23 -1.12 -4.99 120.40 109.34 1x3d s VAL 105 Ca 0.60 -0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 60.32 1x3d s VAL 105 Cb -0.75 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 1x3d s VAL 105 CO 0.59 0.32 0.17 -0.22 -0.31 0.00 0.00 175.10 175.65 1x3d s LEU 106 N 0.91 4.15 0.35 1.32 2.96 -1.26 -1.85 118.68 125.26 1x3d s LEU 106 Ca -0.10 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1x3d s LEU 106 Cb -0.15 -2.14 -0.07 0.00 0.50 0.00 0.00 46.19 44.34 1x3d s LEU 106 CO 0.01 0.09 0.02 -0.31 -1.32 0.00 0.00 176.35 174.84 1x3d s TYR 107 N 0.86 2.18 -0.18 5.38 2.02 -0.79 -5.00 117.35 121.83 1x3d s TYR 107 Ca 0.09 -0.81 -0.04 0.00 -0.37 0.00 0.00 57.07 55.94 1x3d s TYR 107 Cb -0.13 -1.44 0.09 0.00 -0.40 0.00 0.00 41.96 40.07 1x3d s TYR 107 CO 0.03 0.22 0.24 0.71 -1.57 0.00 0.00 175.55 175.18 1x3d s TYR 108 N -3.03 -0.35 0.91 2.71 1.51 -1.26 -1.69 117.35 116.15 1x3d s TYR 108 Ca 0.35 0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 56.74 1x3d s TYR 108 Cb 0.08 -0.25 -0.09 0.00 -0.11 0.00 0.00 41.96 41.60 1x3d s TYR 108 CO 0.16 -0.52 -0.29 0.25 -1.11 0.00 0.00 175.55 174.03 1x3d n THR 109 N 5.33 0.18 -0.96 -0.71 -2.24 -1.26 -4.83 114.28 109.79 1x3d n THR 109 Ca -0.05 -0.41 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 1x3d n THR 109 Cb 0.50 -0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.55 1x3d n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x3d n SER 110 N 1.77 -4.77 0.00 3.42 7.64 -1.26 -4.04 113.62 116.37 1x3d n SER 110 Ca 0.02 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1x3d n SER 110 Cb 0.54 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1x3d n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3d n GLY 111 N 3.20 -0.37 3.58 0.23 0.00 -1.26 -3.52 105.19 107.04 1x3d n GLY 111 Ca -0.01 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1x3d n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d n SER 113 N 8.69 -0.78 -0.58 0.00 7.64 -1.26 -4.35 113.62 122.97 1x3d n SER 113 Ca 0.48 -0.99 0.07 0.00 1.01 0.00 0.00 58.87 59.45 1x3d n SER 113 Cb 0.46 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.38 1x3d n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3d n GLY 114 N -1.33 -2.46 0.16 0.23 0.00 -1.26 -4.14 105.19 96.39 1x3d n GLY 114 Ca -0.01 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1x3d n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3d h PRO 115 N -0.56 0.45 -1.99 1.61 0.13 -1.94 -3.24 132.00 126.46 1x3d h PRO 115 Ca -0.05 -0.24 -0.20 0.00 -0.87 0.00 0.00 66.00 64.65 1x3d h PRO 115 Cb 0.55 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.62 1x3d h PRO 115 CO 0.02 0.81 -0.22 -1.13 -0.23 0.00 0.00 178.00 177.25 1x3d n SER 116 N -4.48 5.42 -0.35 1.44 3.41 -1.26 -4.66 113.62 113.14 1x3d n SER 116 Ca -0.05 -2.56 0.07 0.00 -0.26 0.00 0.00 58.87 56.07 1x3d n SER 116 Cb 0.39 -1.34 0.17 0.00 -0.26 0.00 0.00 64.21 63.16 1x3d n SER 116 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x3d h SER 117 N 2.64 -0.85 -0.02 4.04 4.64 -1.71 -3.53 113.55 118.76 1x3d h SER 117 Ca 0.18 0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1x3d h SER 117 Cb 1.34 0.59 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1x3d h SER 117 CO 0.28 -0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.51