#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oxg s SER 201 N 0.00 4.14 0.12 1.61 1.04 -1.26 -5.14 113.70 114.20 2oxg s SER 201 Ca 0.00 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 2oxg s SER 201 Cb 0.00 -0.66 -0.03 0.00 0.10 0.00 0.00 66.02 65.43 2oxg s SER 201 CO 0.00 0.12 0.12 -0.94 0.98 0.00 0.00 173.24 173.52 2oxg s SER 1 N -2.67 0.24 0.33 7.02 1.04 -1.26 -5.18 113.70 113.23 2oxg s SER 1 Ca 0.23 -0.99 0.09 0.00 0.48 0.00 0.00 55.95 55.76 2oxg s SER 1 Cb -0.09 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 2oxg s SER 1 CO 0.14 -0.75 0.00 0.42 0.98 0.00 0.00 173.24 174.03 2oxg s THR 2 N -3.97 2.65 0.30 2.02 -4.23 -1.26 -4.43 115.64 106.72 2oxg s THR 2 Ca 0.16 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2oxg s THR 2 Cb 0.06 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.40 2oxg s THR 2 CO -0.03 -0.22 1.91 0.58 -0.54 0.00 0.00 174.62 176.33 2oxg h VAL 3 N 1.84 1.07 -0.80 2.29 2.07 -1.91 -1.32 116.25 119.48 2oxg h VAL 3 Ca -0.43 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2oxg h VAL 3 Cb 1.25 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2oxg h VAL 3 CO 0.66 0.19 0.36 0.44 0.02 0.00 0.00 177.57 179.24 2oxg h ASP 4 N 1.03 1.07 -0.38 0.57 3.32 -1.98 0.16 116.42 120.21 2oxg h ASP 4 Ca 0.39 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 2oxg h ASP 4 Cb 0.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2oxg h ASP 4 CO -0.15 0.92 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.82 2oxg h GLU 5 N 1.14 0.76 -0.25 3.56 5.08 -1.76 0.98 114.58 124.09 2oxg h GLU 5 Ca 0.27 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2oxg h GLU 5 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2oxg h GLU 5 CO -0.03 0.93 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.47 2oxg h LEU 6 N 0.56 0.59 -0.15 1.33 3.38 -1.10 -1.39 115.31 118.52 2oxg h LEU 6 Ca 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2oxg h LEU 6 Cb 0.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2oxg h LEU 6 CO 0.05 0.90 0.07 0.74 0.09 0.00 0.00 178.44 180.29 2oxg h THR 7 N 0.47 1.14 -0.98 0.22 2.02 -0.51 -0.33 112.91 114.93 2oxg h THR 7 Ca 0.05 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2oxg h THR 7 Cb 0.86 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 2oxg h THR 7 CO 0.07 0.13 0.63 0.00 0.37 0.00 0.00 175.52 176.72 2oxg h ALA 8 N 0.92 1.26 0.26 6.16 0.00 -0.67 0.07 119.26 127.26 2oxg h ALA 8 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2oxg h ALA 8 Cb 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2oxg h ALA 8 CO -0.01 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.79 2oxg h ALA 9 N 1.35 -0.34 -0.79 0.00 0.00 -1.09 0.18 119.26 118.57 2oxg h ALA 9 Ca 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2oxg h ALA 9 Cb -0.11 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2oxg h ALA 9 CO -0.07 -0.61 0.46 0.35 0.00 0.00 0.00 179.25 179.37 2oxg h PHE 10 N -0.52 1.07 -0.02 0.00 3.57 -0.75 -2.81 116.94 117.48 2oxg h PHE 10 Ca -0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2oxg h PHE 10 Cb 0.38 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2oxg h PHE 10 CO -0.01 0.73 -0.03 1.79 -2.23 0.00 0.00 178.31 178.56 2oxg h THR 11 N 1.09 1.44 0.00 4.41 1.35 -1.01 -3.47 112.91 116.73 2oxg h THR 11 Ca 0.28 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2oxg h THR 11 Cb -0.00 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2oxg h THR 11 CO -0.05 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2oxg n GLY 12 N 0.43 1.89 0.31 5.82 0.00 0.65 -1.61 105.19 112.69 2oxg n GLY 12 Ca -0.08 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 2oxg n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oxg n GLY 13 N 0.00 0.52 3.76 -0.02 0.00 -1.26 -4.92 105.19 103.27 2oxg n GLY 13 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2oxg n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oxg s ALA 14 N 0.00 2.94 -0.28 4.61 0.00 -0.63 -4.88 121.76 123.52 2oxg s ALA 14 Ca 0.00 1.14 -0.40 0.00 0.00 0.00 0.00 51.96 52.70 2oxg s ALA 14 Cb 0.00 -3.47 -0.16 0.00 0.00 0.00 0.00 23.12 19.49 2oxg s ALA 14 CO 0.00 -0.98 1.74 0.00 0.00 0.00 0.00 175.76 176.52 2oxg n ALA 15 N -0.65 -0.20 -1.50 0.00 0.00 -1.26 -4.73 120.51 112.17 2oxg n ALA 15 Ca 0.08 0.39 -0.47 0.00 0.00 0.00 0.00 53.44 53.44 2oxg n ALA 15 Cb 0.46 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 2oxg n ALA 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2oxg n THR 16 N 4.58 0.22 -0.75 0.00 -1.04 -1.26 -2.16 114.28 113.87 2oxg n THR 16 Ca 0.26 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.05 61.59 2oxg n THR 16 Cb 0.13 -2.01 0.14 0.00 -1.82 0.00 0.00 70.33 66.77 2oxg n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oxg n GLY 17 N 6.26 -1.70 0.00 3.41 0.00 0.03 -4.86 105.19 108.33 2oxg n GLY 17 Ca 0.38 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.77 2oxg n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oxg n GLU 18 N -2.40 0.28 0.00 1.61 -0.58 -1.26 -4.83 120.64 113.46 2oxg n GLU 18 Ca 0.07 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2oxg n GLU 18 Cb 0.54 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 2oxg n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2oxg n GLY 19 N 1.05 0.22 0.60 0.62 0.00 -1.26 -5.09 105.19 101.34 2oxg n GLY 19 Ca 0.11 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2oxg n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oxg n GLY 20 N -0.11 0.70 3.05 -0.02 0.00 -1.26 -4.98 105.19 102.57 2oxg n GLY 20 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2oxg n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oxg s LEU 21 N -1.04 0.20 0.09 0.99 2.96 -1.26 -3.88 118.68 116.75 2oxg s LEU 21 Ca 0.00 0.55 0.10 0.00 -0.22 0.00 0.00 54.13 54.56 2oxg s LEU 21 Cb 0.00 0.74 -0.03 0.00 0.50 0.00 0.00 46.19 47.40 2oxg s LEU 21 CO 0.00 -0.19 -0.25 0.42 -1.32 0.00 0.00 176.35 175.01 2oxg s THR 22 N 1.57 2.07 -0.13 3.68 -4.23 -0.10 -4.81 115.64 113.69 2oxg s THR 22 Ca -0.07 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 2oxg s THR 22 Cb -0.11 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 71.95 2oxg s THR 22 CO -0.09 0.16 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.91 2oxg s LEU 23 N -1.70 1.13 0.02 4.79 2.96 -1.26 -1.44 118.68 123.18 2oxg s LEU 23 Ca 0.11 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2oxg s LEU 23 Cb -0.10 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 2oxg s LEU 23 CO 0.04 -0.20 -0.23 0.42 -1.32 0.00 0.00 176.35 175.07 2oxg s THR 24 N 1.79 2.39 0.21 3.68 -4.23 0.11 -4.84 115.64 114.75 2oxg s THR 24 Ca 0.03 -1.19 -0.17 0.00 -1.18 0.00 0.00 61.69 59.17 2oxg s THR 24 Cb -0.14 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.79 2oxg s THR 24 CO -0.07 0.44 0.52 0.00 -0.54 0.00 0.00 174.62 174.97 2oxg s ALA 25 N -0.78 -0.82 0.56 3.99 0.00 -1.26 -1.45 121.76 121.99 2oxg s ALA 25 Ca 0.12 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.53 2oxg s ALA 25 Cb -0.10 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2oxg s ALA 25 CO 0.02 -0.82 1.26 -2.14 0.00 0.00 0.00 175.76 174.08 2oxg s PRO 26 N -3.90 3.13 0.13 0.00 0.02 -1.26 -4.92 135.00 128.20 2oxg s PRO 26 Ca 0.11 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 62.97 2oxg s PRO 26 Cb -0.01 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 2oxg s PRO 26 CO -0.00 -1.12 1.63 1.49 -0.33 0.00 0.00 177.00 178.66 2oxg h GLU 27 N 1.27 0.66 -4.31 5.54 4.22 -1.91 -3.41 114.58 116.63 2oxg h GLU 27 Ca -0.50 -0.16 -0.50 0.00 0.08 0.00 0.00 59.36 58.27 2oxg h GLU 27 Cb 1.29 -0.08 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 2oxg h GLU 27 CO 0.57 0.68 -0.80 -1.50 -2.18 0.00 0.00 179.01 175.78 2oxg s ILE 28 N -5.28 0.98 -0.27 2.32 1.10 -1.26 -1.78 121.20 117.01 2oxg s ILE 28 Ca -0.13 -0.33 -0.13 0.00 -0.51 0.00 0.00 60.65 59.55 2oxg s ILE 28 Cb 0.10 -0.96 -0.04 0.00 0.15 0.00 0.00 42.46 41.71 2oxg s ILE 28 CO 0.77 0.34 0.30 0.00 -2.11 0.00 0.00 174.94 174.25 2oxg s ALA 29 N 1.19 3.55 0.14 1.50 0.00 0.88 -4.97 121.76 124.05 2oxg s ALA 29 Ca -0.05 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2oxg s ALA 29 Cb -0.14 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2oxg s ALA 29 CO -0.02 -0.62 1.80 0.93 0.00 0.00 0.00 175.76 177.85 2oxg h GLU 30 N 8.25 0.43 -4.53 0.00 4.39 -1.94 -0.99 114.58 120.19 2oxg h GLU 30 Ca -0.33 -0.03 -0.69 0.00 0.34 0.00 0.00 59.36 58.65 2oxg h GLU 30 Cb 1.17 -0.10 -0.34 0.00 -0.10 0.00 0.00 28.75 29.38 2oxg h GLU 30 CO 0.61 0.28 -0.58 1.21 -1.16 0.00 0.00 179.01 179.37 2oxg s ASN 31 N -5.49 5.19 0.42 1.42 3.84 -1.26 -2.26 114.94 116.80 2oxg s ASN 31 Ca -0.13 -1.92 0.29 0.00 0.21 0.00 0.00 52.86 51.31 2oxg s ASN 31 Cb 0.10 -1.81 1.50 0.00 -0.55 0.00 0.00 41.25 40.49 2oxg s ASN 31 CO 0.71 -0.50 1.88 1.23 -2.79 0.00 0.00 177.10 177.63 2oxg h GLY 32 N 8.03 0.00 2.00 1.21 0.00 -1.04 -1.11 103.07 112.15 2oxg h GLY 32 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2oxg h GLY 32 CO 0.67 0.00 -0.07 3.43 0.00 0.00 0.00 176.54 180.56 2oxg h ASN 33 N 0.00 0.00 -1.89 0.19 4.21 -1.81 0.29 115.58 116.56 2oxg h ASN 33 Ca 0.00 0.00 -0.41 0.00 1.21 0.00 0.00 56.30 57.10 2oxg h ASN 33 Cb 0.07 0.00 -0.30 0.00 -1.12 0.00 0.00 38.32 36.97 2oxg h ASN 33 CO 0.00 0.07 -0.77 -0.89 -1.29 0.00 0.00 177.43 174.56 2oxg s THR 34 N -3.60 -0.21 -0.29 2.81 2.01 -0.42 -4.23 115.64 111.72 2oxg s THR 34 Ca 0.02 -1.72 -0.09 0.00 0.31 0.00 0.00 61.69 60.21 2oxg s THR 34 Cb 0.09 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 2oxg s THR 34 CO 0.59 -0.73 0.12 -0.69 -0.69 0.00 0.00 174.62 173.23 2oxg s VAL 35 N 0.68 4.50 0.13 3.82 1.01 0.82 -4.74 120.40 126.62 2oxg s VAL 35 Ca 0.27 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 2oxg s VAL 35 Cb -0.03 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 2oxg s VAL 35 CO -0.10 0.16 1.22 -2.16 0.00 0.00 0.00 175.10 174.22 2oxg s PRO 36 N 1.61 4.45 -0.01 2.72 0.04 -1.26 -0.71 135.00 141.83 2oxg s PRO 36 Ca 0.05 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2oxg s PRO 36 Cb -0.16 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 2oxg s PRO 36 CO 0.05 -0.20 -0.10 0.42 0.04 0.00 0.00 177.00 177.21 2oxg s ILE 37 N 0.50 0.83 -0.06 0.56 -1.09 -0.40 -4.17 121.20 117.38 2oxg s ILE 37 Ca 0.57 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 2oxg s ILE 37 Cb -0.32 -0.70 0.01 0.00 -1.58 0.00 0.00 42.46 39.88 2oxg s ILE 37 CO 0.33 0.24 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.47 2oxg s GLU 38 N -0.21 1.45 0.06 2.79 2.12 -0.53 -1.47 118.70 122.91 2oxg s GLU 38 Ca 0.03 -0.35 0.06 0.00 0.36 0.00 0.00 54.97 55.07 2oxg s GLU 38 Cb -0.04 -1.24 -0.04 0.00 0.26 0.00 0.00 34.13 33.07 2oxg s GLU 38 CO -0.00 0.03 -0.10 0.14 -0.54 0.00 0.00 175.26 174.78 2oxg s VAL 39 N 0.63 3.35 -0.07 3.70 -7.23 0.13 -0.71 120.40 120.18 2oxg s VAL 39 Ca -0.12 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2oxg s VAL 39 Cb -0.15 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.34 2oxg s VAL 39 CO 0.03 0.26 0.15 -0.54 -0.31 0.00 0.00 175.10 174.68 2oxg s LYS 40 N -1.77 0.05 -0.41 4.82 1.02 -0.52 -1.04 119.74 121.88 2oxg s LYS 40 Ca 0.18 0.48 0.04 0.00 0.02 0.00 0.00 55.97 56.69 2oxg s LYS 40 Cb -0.11 -0.25 0.17 0.00 -0.52 0.00 0.00 37.83 37.12 2oxg s LYS 40 CO 0.10 -0.26 0.42 0.00 -0.92 0.00 0.00 175.35 174.69 2oxg s ALA 41 N 1.88 -0.03 0.09 5.17 0.00 -0.65 -0.93 121.76 127.29 2oxg s ALA 41 Ca -0.01 -1.44 -0.37 0.00 0.00 0.00 0.00 51.96 50.14 2oxg s ALA 41 Cb -0.12 -1.99 -0.16 0.00 0.00 0.00 0.00 23.12 20.85 2oxg s ALA 41 CO -0.06 -2.11 1.37 -2.30 0.00 0.00 0.00 175.76 172.67 2oxg n PRO 42 N 3.52 1.24 0.00 0.00 -0.02 -1.25 -1.30 135.00 137.18 2oxg n PRO 42 Ca 0.19 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2oxg n PRO 42 Cb 0.47 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2oxg n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oxg n GLY 43 N 2.63 1.70 3.76 -1.23 0.00 -1.26 -5.00 105.19 105.80 2oxg n GLY 43 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2oxg n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oxg s ALA 44 N -2.52 3.56 -0.06 4.61 0.00 -0.42 -3.73 121.76 123.20 2oxg s ALA 44 Ca 0.00 1.36 0.14 0.00 0.00 0.00 0.00 51.96 53.46 2oxg s ALA 44 Cb 0.00 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 2oxg s ALA 44 CO 0.00 -0.77 0.94 -0.39 0.00 0.00 0.00 175.76 175.54 2oxg h VAL 45 N 3.17 0.87 -2.84 0.00 -1.51 -0.84 -3.43 116.25 111.68 2oxg h VAL 45 Ca -0.48 -2.49 -0.13 0.00 -1.23 0.00 0.00 66.70 62.36 2oxg h VAL 45 Cb 1.23 2.35 -0.24 0.00 -2.13 0.00 0.00 31.29 32.50 2oxg h VAL 45 CO 0.69 0.49 -0.27 0.00 -1.23 0.00 0.00 177.57 177.25 2oxg s ALA 46 N -2.79 -0.92 -0.13 5.19 0.00 -1.15 -1.39 121.76 120.57 2oxg s ALA 46 Ca -0.02 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2oxg s ALA 46 Cb 0.09 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2oxg s ALA 46 CO 0.81 -0.19 -0.12 0.42 0.00 0.00 0.00 175.76 176.68 2oxg s ILE 47 N 0.04 1.41 -0.14 0.00 1.01 0.20 -0.85 121.20 122.87 2oxg s ILE 47 Ca -0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2oxg s ILE 47 Cb -0.03 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 2oxg s ILE 47 CO 0.01 0.43 0.26 -0.32 0.00 0.00 0.00 174.94 175.32 2oxg s MET 48 N 1.50 4.09 -0.14 2.79 -2.45 0.46 -0.58 119.30 124.98 2oxg s MET 48 Ca 0.04 0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.49 2oxg s MET 48 Cb -0.13 -3.37 -0.03 0.00 1.25 0.00 0.00 34.83 32.55 2oxg s MET 48 CO -0.09 0.38 -0.01 -0.51 1.05 0.00 0.00 175.02 175.83 2oxg s LEU 49 N 0.07 3.43 0.10 4.11 1.43 0.05 -0.60 118.68 127.26 2oxg s LEU 49 Ca 0.16 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2oxg s LEU 49 Cb -0.13 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2oxg s LEU 49 CO 0.04 0.22 -0.13 -0.76 0.23 0.00 0.00 176.35 175.96 2oxg s LEU 50 N 0.04 2.36 -0.19 1.79 1.43 0.33 -2.17 118.68 122.28 2oxg s LEU 50 Ca 0.02 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2oxg s LEU 50 Cb -0.13 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.67 2oxg s LEU 50 CO 0.02 -0.16 -0.06 0.00 0.23 0.00 0.00 176.35 176.38 2oxg s ALA 51 N -1.96 1.71 -0.83 4.21 0.00 -0.18 -0.78 121.76 123.93 2oxg s ALA 51 Ca 0.04 -1.03 0.25 0.00 0.00 0.00 0.00 51.96 51.22 2oxg s ALA 51 Cb -0.06 -1.23 0.96 0.00 0.00 0.00 0.00 23.12 22.80 2oxg s ALA 51 CO 0.02 -0.88 1.78 0.00 0.00 0.00 0.00 175.76 176.67 2oxg n ALA 52 N 4.79 2.11 -0.00 0.00 0.00 -0.41 -3.25 120.51 123.74 2oxg n ALA 52 Ca -0.13 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.30 2oxg n ALA 52 Cb 0.47 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.55 2oxg n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oxg n GLY 53 N 0.99 1.86 3.92 0.00 0.00 -1.26 -4.93 105.19 105.77 2oxg n GLY 53 Ca 0.05 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2oxg n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oxg s ASN 54 N -0.85 6.21 0.29 1.61 0.01 -1.20 -4.59 114.94 116.42 2oxg s ASN 54 Ca 0.10 0.75 0.04 0.00 -0.71 0.00 0.00 52.86 53.03 2oxg s ASN 54 Cb 0.05 -2.12 0.68 0.00 0.41 0.00 0.00 41.25 40.28 2oxg s ASN 54 CO 0.07 -0.54 1.76 -0.65 -1.51 0.00 0.00 177.10 176.23 2oxg h PRO 55 N 0.35 0.63 -6.62 -0.60 0.11 -1.96 -3.40 132.00 120.52 2oxg h PRO 55 Ca -0.48 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 64.96 2oxg h PRO 55 Cb 1.21 -0.14 -0.22 0.00 0.11 0.00 0.00 31.00 31.96 2oxg h PRO 55 CO 0.61 0.42 -0.85 -1.21 -0.21 0.00 0.00 178.00 176.76 2oxg s GLU 56 N -5.89 1.30 0.26 1.05 2.02 -1.26 -4.94 118.70 111.24 2oxg s GLU 56 Ca -0.12 -1.28 0.14 0.00 0.02 0.00 0.00 54.97 53.73 2oxg s GLU 56 Cb 0.24 -1.71 0.10 0.00 0.10 0.00 0.00 34.13 32.86 2oxg s GLU 56 CO 0.79 0.40 1.45 -1.00 0.02 0.00 0.00 175.26 176.92 2oxg h PRO 57 N 3.95 0.00 -6.97 0.39 0.13 -1.77 -3.44 132.00 124.28 2oxg h PRO 57 Ca -0.49 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.13 2oxg h PRO 57 Cb 1.17 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.37 2oxg h PRO 57 CO 0.39 0.59 0.52 0.00 -0.23 0.00 0.00 178.00 179.27 2oxg s ALA 58 N -3.01 3.08 0.11 -0.56 0.00 -1.26 -1.01 121.76 119.11 2oxg s ALA 58 Ca 0.03 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2oxg s ALA 58 Cb 0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2oxg s ALA 58 CO 0.75 -0.67 0.00 0.28 0.00 0.00 0.00 175.76 176.12 2oxg n VAL 59 N -0.19 0.50 -3.53 0.00 0.31 -0.92 -4.78 118.33 109.72 2oxg n VAL 59 Ca 0.06 0.17 -0.09 0.00 -0.01 0.00 0.00 64.34 64.46 2oxg n VAL 59 Cb 0.47 -0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 2oxg n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oxg s ALA 60 N -2.00 -1.69 -0.10 3.52 0.00 -1.20 -5.02 121.76 115.27 2oxg s ALA 60 Ca 0.00 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.62 2oxg s ALA 60 Cb 0.00 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2oxg s ALA 60 CO 0.00 -0.78 -0.12 0.99 0.00 0.00 0.00 175.76 175.85 2oxg s THR 61 N -3.40 1.23 -0.28 0.00 2.01 -1.26 -0.77 115.64 113.15 2oxg s THR 61 Ca 0.05 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 2oxg s THR 61 Cb -0.01 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 2oxg s THR 61 CO -0.08 0.39 0.34 -0.36 -0.69 0.00 0.00 174.62 174.22 2oxg s PHE 62 N 1.18 3.23 -0.16 4.92 0.40 0.26 -4.93 117.98 122.87 2oxg s PHE 62 Ca -0.04 0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.52 2oxg s PHE 62 Cb -0.14 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 2oxg s PHE 62 CO -0.03 -0.25 0.06 -0.80 0.70 0.00 0.00 175.22 174.90 2oxg s ASN 63 N 1.68 5.65 -0.18 1.36 0.01 -1.26 -0.63 114.94 121.57 2oxg s ASN 63 Ca 0.13 0.14 -0.06 0.00 -0.71 0.00 0.00 52.86 52.36 2oxg s ASN 63 Cb -0.16 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 2oxg s ASN 63 CO 0.10 0.23 0.02 -0.36 -1.51 0.00 0.00 177.10 175.58 2oxg s PHE 64 N 0.01 3.12 0.35 2.20 0.40 -0.48 -5.00 117.98 118.57 2oxg s PHE 64 Ca 0.06 -0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 2oxg s PHE 64 Cb -0.12 -2.05 0.06 0.00 0.51 0.00 0.00 43.02 41.42 2oxg s PHE 64 CO 0.01 -0.01 0.48 0.41 0.70 0.00 0.00 175.22 176.81 2oxg n GLY 65 N 3.74 1.85 0.28 4.36 0.00 -1.26 -4.85 105.19 109.31 2oxg n GLY 65 Ca -0.17 -2.17 0.16 0.00 0.00 0.00 0.00 46.02 43.83 2oxg n GLY 65 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oxg h PRO 66 N 0.00 0.00 -0.02 1.61 0.11 -2.02 -2.47 132.00 129.21 2oxg h PRO 66 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2oxg h PRO 66 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2oxg h PRO 66 CO 0.23 0.07 -0.01 0.00 -0.21 0.00 0.00 178.00 178.07 2oxg n ALA 67 N -2.22 2.58 -2.01 -0.75 0.00 -1.26 -4.87 120.51 111.99 2oxg n ALA 67 Ca -0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 2oxg n ALA 67 Cb 0.20 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 2oxg n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oxg s ALA 68 N -2.02 3.58 0.12 0.00 0.00 -0.93 -4.92 121.76 117.58 2oxg s ALA 68 Ca 0.36 1.18 0.11 0.00 0.00 0.00 0.00 51.96 53.60 2oxg s ALA 68 Cb 0.21 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.92 2oxg s ALA 68 CO 0.34 -0.61 1.46 0.00 0.00 0.00 0.00 175.76 176.94 2oxg h ALA 69 N 5.68 0.66 -3.00 0.00 0.00 -1.90 -3.48 119.26 117.22 2oxg h ALA 69 Ca -0.44 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 53.79 2oxg h ALA 69 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2oxg h ALA 69 CO 0.80 0.91 0.25 0.16 0.00 0.00 0.00 179.25 181.37 2oxg s ASP 70 N -6.66 0.01 -0.64 0.00 1.47 -1.26 -5.07 116.67 104.51 2oxg s ASP 70 Ca 0.01 -1.10 0.01 0.00 1.18 0.00 0.00 52.55 52.65 2oxg s ASP 70 Cb 0.10 0.83 0.39 0.00 -0.34 0.00 0.00 42.92 43.90 2oxg s ASP 70 CO 0.77 -1.64 1.58 0.00 0.68 0.00 0.00 175.17 176.57 2oxg n GLN 71 N -0.52 3.08 -3.85 2.11 3.00 -1.26 -4.96 117.38 114.98 2oxg n GLN 71 Ca -0.08 -3.99 -0.36 0.00 -0.01 0.00 0.00 57.00 52.56 2oxg n GLN 71 Cb 0.60 -2.26 -0.07 0.00 0.00 0.00 0.00 30.24 28.51 2oxg n GLN 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2oxg s ARG 72 N -3.81 3.61 -0.08 -1.09 3.52 -1.26 -1.64 118.95 118.20 2oxg s ARG 72 Ca 0.50 -0.16 -0.08 0.00 -0.13 0.00 0.00 55.73 55.86 2oxg s ARG 72 Cb 0.42 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.60 2oxg s ARG 72 CO -0.29 0.66 0.23 0.00 -0.81 0.00 0.00 175.30 175.09 2oxg s ALA 73 N -0.68 -0.57 0.04 6.12 0.00 -0.21 -5.00 121.76 121.45 2oxg s ALA 73 Ca 0.13 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.78 2oxg s ALA 73 Cb -0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2oxg s ALA 73 CO 0.03 -0.11 -0.16 0.00 0.00 0.00 0.00 175.76 175.52 2oxg s ALA 74 N 0.07 1.30 0.17 0.00 0.00 -1.26 -0.70 121.76 121.34 2oxg s ALA 74 Ca -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2oxg s ALA 74 Cb -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2oxg s ALA 74 CO 0.00 0.26 0.26 -2.37 0.00 0.00 0.00 175.76 173.92 2oxg n THR 75 N 1.93 0.00 -4.71 0.00 5.66 -0.54 -5.01 114.28 111.61 2oxg n THR 75 Ca -0.18 -0.74 -0.24 0.00 -3.05 0.00 0.00 64.05 59.84 2oxg n THR 75 Cb 0.54 0.50 -0.16 0.00 -1.55 0.00 0.00 70.33 69.66 2oxg n THR 75 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2oxg s ARG 76 N -2.30 1.52 0.27 1.09 0.52 -1.26 -1.28 118.95 117.52 2oxg s ARG 76 Ca 0.12 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 2oxg s ARG 76 Cb -0.01 -1.35 -0.06 0.00 0.52 0.00 0.00 34.95 34.05 2oxg s ARG 76 CO 0.09 0.21 0.02 0.96 0.02 0.00 0.00 175.30 176.60 2oxg s ILE 77 N 0.06 1.11 -0.23 1.52 -4.36 0.11 -4.80 121.20 114.61 2oxg s ILE 77 Ca -0.03 -2.03 -0.10 0.00 -0.26 0.00 0.00 60.65 58.23 2oxg s ILE 77 Cb -0.10 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.02 2oxg s ILE 77 CO 0.01 -0.18 0.14 -0.13 0.24 0.00 0.00 174.94 175.02 2oxg s ARG 78 N -3.87 4.05 -0.17 0.37 0.52 -1.26 -0.13 118.95 118.46 2oxg s ARG 78 Ca 0.32 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 55.26 2oxg s ARG 78 Cb 0.07 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 32.09 2oxg s ARG 78 CO 0.12 0.11 -0.20 -0.51 0.02 0.00 0.00 175.30 174.84 2oxg s LEU 79 N 0.88 2.15 0.47 2.53 1.43 0.10 -5.00 118.68 121.25 2oxg s LEU 79 Ca 0.07 -0.63 0.27 0.00 -1.03 0.00 0.00 54.13 52.81 2oxg s LEU 79 Cb -0.13 -1.48 0.99 0.00 0.03 0.00 0.00 46.19 45.60 2oxg s LEU 79 CO 0.03 0.02 1.85 0.00 0.23 0.00 0.00 176.35 178.47 2oxg h ALA 80 N 7.81 1.00 -2.66 4.21 0.00 -1.83 -0.04 119.26 127.75 2oxg h ALA 80 Ca -0.43 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.48 2oxg h ALA 80 Cb 1.15 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2oxg h ALA 80 CO 0.62 0.17 0.36 1.14 0.00 0.00 0.00 179.25 181.54 2oxg s GLN 81 N -3.59 1.46 0.28 0.00 -2.07 -1.26 -4.00 119.66 110.47 2oxg s GLN 81 Ca 0.02 -0.79 -0.30 0.00 -1.82 0.00 0.00 55.36 52.46 2oxg s GLN 81 Cb 0.09 0.50 -0.12 0.00 -1.09 0.00 0.00 33.01 32.39 2oxg s GLN 81 CO 0.61 -0.67 1.54 2.41 -1.32 0.00 0.00 175.29 177.87 2oxg n THR 82 N -0.46 0.98 -3.67 3.63 -1.04 -1.26 -4.74 114.28 107.71 2oxg n THR 82 Ca -0.06 -0.24 -0.02 0.00 -2.04 0.00 0.00 64.05 61.69 2oxg n THR 82 Cb 0.60 -1.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.28 2oxg n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oxg s GLN 83 N -0.44 0.79 0.19 -2.82 -2.07 -0.76 -4.87 119.66 109.69 2oxg s GLN 83 Ca 0.65 -0.42 -0.24 0.00 -1.82 0.00 0.00 55.36 53.53 2oxg s GLN 83 Cb -0.54 0.28 -0.08 0.00 -1.09 0.00 0.00 33.01 31.57 2oxg s GLN 83 CO 0.48 -0.36 0.78 -0.51 -1.32 0.00 0.00 175.29 174.36 2oxg s ASP 84 N -2.89 7.30 -0.09 12.60 1.11 -1.26 -0.49 116.67 132.94 2oxg s ASP 84 Ca 0.12 1.60 -0.01 0.00 0.18 0.00 0.00 52.55 54.45 2oxg s ASP 84 Cb 0.01 -2.49 -0.03 0.00 1.07 0.00 0.00 42.92 41.49 2oxg s ASP 84 CO -0.01 0.14 -0.05 -0.69 1.18 0.00 0.00 175.17 175.73 2oxg s VAL 85 N -1.29 3.84 -0.05 -1.27 1.01 0.23 -1.29 120.40 121.59 2oxg s VAL 85 Ca 0.39 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2oxg s VAL 85 Cb -0.21 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2oxg s VAL 85 CO 0.25 0.58 -0.24 -0.63 0.00 0.00 0.00 175.10 175.05 2oxg s ILE 86 N -0.55 2.16 -0.03 2.22 1.09 0.04 -1.04 121.20 125.08 2oxg s ILE 86 Ca 0.08 -1.04 0.07 0.00 -1.10 0.00 0.00 60.65 58.66 2oxg s ILE 86 Cb -0.12 -1.78 -0.02 0.00 -1.06 0.00 0.00 42.46 39.49 2oxg s ILE 86 CO 0.02 0.57 -0.25 0.00 -0.10 0.00 0.00 174.94 175.18 2oxg s ALA 87 N -0.34 2.17 -0.10 9.38 0.00 -0.01 -0.51 121.76 132.36 2oxg s ALA 87 Ca 0.02 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.91 2oxg s ALA 87 Cb -0.12 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2oxg s ALA 87 CO 0.02 0.49 -0.16 -0.51 0.00 0.00 0.00 175.76 175.60 2oxg s LEU 88 N -0.45 1.78 -0.12 0.00 1.43 0.23 -0.93 118.68 120.61 2oxg s LEU 88 Ca 0.05 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2oxg s LEU 88 Cb -0.11 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2oxg s LEU 88 CO 0.01 0.05 -0.17 0.00 0.23 0.00 0.00 176.35 176.46 2oxg s ALA 89 N 0.81 2.45 -0.18 4.21 0.00 0.34 -0.40 121.76 128.99 2oxg s ALA 89 Ca -0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2oxg s ALA 89 Cb -0.16 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2oxg s ALA 89 CO 0.01 0.24 -0.05 0.21 0.00 0.00 0.00 175.76 176.17 2oxg s LYS 90 N 0.38 3.52 0.56 0.00 2.20 -0.03 -1.20 119.74 125.18 2oxg s LYS 90 Ca -0.13 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 54.89 2oxg s LYS 90 Cb -0.17 -2.91 0.03 0.00 -1.51 0.00 0.00 37.83 33.27 2oxg s LYS 90 CO 0.06 0.07 0.80 -1.64 -0.36 0.00 0.00 175.35 174.29 2oxg s MET 91 N 0.79 2.59 0.36 4.03 -1.94 0.29 -0.16 119.30 125.26 2oxg s MET 91 Ca -0.02 -0.60 0.09 0.00 -1.71 0.00 0.00 55.69 53.44 2oxg s MET 91 Cb -0.15 -2.44 0.81 0.00 2.01 0.00 0.00 34.83 35.07 2oxg s MET 91 CO 0.02 -0.72 1.90 0.00 -0.01 0.00 0.00 175.02 176.20 2oxg h ALA 92 N 0.00 1.82 -0.02 3.03 0.00 -1.88 0.38 119.26 122.59 2oxg h ALA 92 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2oxg h ALA 92 Cb 1.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2oxg h ALA 92 CO 0.55 -0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 2oxg n ASP 93 N -4.53 0.27 0.00 0.00 5.75 -1.26 -4.88 116.55 111.89 2oxg n ASP 93 Ca 0.15 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 2oxg n ASP 93 Cb 0.41 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2oxg n ASP 93 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oxg n GLY 94 N 0.88 1.27 3.76 6.12 0.00 0.12 -5.00 105.19 112.35 2oxg n GLY 94 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2oxg n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oxg s SER 95 N -2.89 4.85 -0.02 1.61 1.04 -1.26 -4.61 113.70 112.42 2oxg s SER 95 Ca 0.00 2.08 0.03 0.00 0.48 0.00 0.00 55.95 58.54 2oxg s SER 95 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2oxg s SER 95 CO 0.00 -1.81 -0.09 -0.69 0.98 0.00 0.00 173.24 171.63 2oxg s VAL 96 N -2.27 0.77 0.24 5.02 1.01 -0.92 -0.55 120.40 123.70 2oxg s VAL 96 Ca 0.69 -0.36 0.12 0.00 0.00 0.00 0.00 61.98 62.42 2oxg s VAL 96 Cb -0.22 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2oxg s VAL 96 CO 0.43 0.24 -0.22 0.68 0.00 0.00 0.00 175.10 176.23 2oxg s VAL 97 N 0.12 2.40 0.05 2.92 -7.23 -0.34 -0.79 120.40 117.52 2oxg s VAL 97 Ca -0.02 -2.23 0.06 0.00 -1.81 0.00 0.00 61.98 57.99 2oxg s VAL 97 Cb -0.08 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 2oxg s VAL 97 CO 0.00 -0.27 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.59 2oxg s LYS 98 N -3.11 1.19 0.06 4.82 2.20 -1.26 -0.51 119.74 123.13 2oxg s LYS 98 Ca 0.25 -0.88 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2oxg s LYS 98 Cb -0.06 -1.27 -0.03 0.00 -1.51 0.00 0.00 37.83 34.95 2oxg s LYS 98 CO 0.12 0.32 -0.06 0.00 -0.36 0.00 0.00 175.35 175.38 2oxg s ALA 99 N -0.85 0.67 -0.08 3.13 0.00 -0.11 -4.96 121.76 119.55 2oxg s ALA 99 Ca 0.05 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 2oxg s ALA 99 Cb -0.09 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.21 2oxg s ALA 99 CO 0.02 -0.20 0.22 -1.14 0.00 0.00 0.00 175.76 174.66 2oxg s GLN 100 N -2.97 0.25 -0.05 0.00 0.74 -1.26 -0.83 119.66 115.55 2oxg s GLN 100 Ca 0.02 0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.70 2oxg s GLN 100 Cb -0.00 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.24 2oxg s GLN 100 CO -0.04 -0.03 0.12 -0.08 -0.55 0.00 0.00 175.29 174.71 2oxg s THR 101 N 0.15 -0.01 -0.06 -0.34 -1.32 -0.20 -4.98 115.64 108.88 2oxg s THR 101 Ca -0.00 0.04 -0.23 0.00 -1.21 0.00 0.00 61.69 60.29 2oxg s THR 101 Cb -0.02 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2oxg s THR 101 CO 0.00 0.02 0.67 -0.89 -2.21 0.00 0.00 174.62 172.20 2oxg s THR 102 N 0.31 5.03 -0.19 5.08 2.01 -1.26 -0.60 115.64 126.03 2oxg s THR 102 Ca -0.02 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.36 2oxg s THR 102 Cb -0.03 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.49 2oxg s THR 102 CO -0.01 0.28 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.32 2oxg s VAL 103 N 0.63 2.11 0.28 3.82 1.01 0.35 -4.82 120.40 123.78 2oxg s VAL 103 Ca 0.36 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 2oxg s VAL 103 Cb -0.18 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 2oxg s VAL 103 CO 0.17 0.50 0.98 -0.54 0.00 0.00 0.00 175.10 176.21 2oxg s LYS 104 N 1.28 4.69 -0.05 2.72 1.02 -0.73 -1.82 119.74 126.85 2oxg s LYS 104 Ca 0.04 1.51 0.06 0.00 0.02 0.00 0.00 55.97 57.60 2oxg s LYS 104 Cb -0.13 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2oxg s LYS 104 CO -0.12 0.34 -0.24 0.08 -0.92 0.00 0.00 175.35 174.50 2oxg s VAL 105 N -1.33 1.93 -0.10 3.17 1.01 -1.26 -0.09 120.40 123.74 2oxg s VAL 105 Ca 0.45 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 2oxg s VAL 105 Cb -0.25 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2oxg s VAL 105 CO 0.31 0.54 0.17 0.74 0.00 0.00 0.00 175.10 176.86 2oxg h THR 106 N 5.05 0.23 -3.68 3.92 2.02 -1.29 -3.43 112.91 115.73 2oxg h THR 106 Ca -0.33 -1.12 -0.69 0.00 0.77 0.00 0.00 66.41 65.04 2oxg h THR 106 Cb 1.17 0.43 -0.32 0.00 -1.74 0.00 0.00 68.15 67.70 2oxg h THR 106 CO 0.47 0.08 -0.63 -0.63 0.37 0.00 0.00 175.52 175.17 2oxg s ILE 107 N -1.84 3.35 0.35 3.11 1.01 -0.96 -5.02 121.20 121.20 2oxg s ILE 107 Ca -0.03 -1.42 -0.28 0.00 0.00 0.00 0.00 60.65 58.92 2oxg s ILE 107 Cb -0.00 -2.98 -0.12 0.00 0.01 0.00 0.00 42.46 39.36 2oxg s ILE 107 CO 0.11 -0.25 1.40 0.61 0.00 0.00 0.00 174.94 176.82 2oxg n GLY 108 N 4.69 0.91 0.88 6.18 0.00 -1.26 -0.58 105.19 116.01 2oxg n GLY 108 Ca -0.11 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.37 2oxg n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93