#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0g s LEU 2 N 0.00 -0.29 0.25 1.04 2.34 -1.26 -5.16 118.68 115.59 2e0g s LEU 2 Ca 0.00 0.52 0.09 0.00 0.06 0.00 0.00 54.13 54.80 2e0g s LEU 2 Cb 0.00 1.59 -0.05 0.00 -0.56 0.00 0.00 46.19 47.17 2e0g s LEU 2 CO 0.00 -0.13 -0.15 -0.94 -1.06 0.00 0.00 176.35 174.07 2e0g s SER 3 N -0.09 3.01 0.12 1.48 1.04 -1.26 -5.05 113.70 112.95 2e0g s SER 3 Ca 0.04 -1.06 -0.31 0.00 0.48 0.00 0.00 55.95 55.11 2e0g s SER 3 Cb -0.04 -0.21 -0.09 0.00 0.10 0.00 0.00 66.02 65.78 2e0g s SER 3 CO -0.08 -0.12 1.58 0.25 0.98 0.00 0.00 173.24 175.84 2e0g h LEU 4 N 2.39 -1.34 -0.15 2.42 6.46 -2.01 -1.42 115.31 121.66 2e0g h LEU 4 Ca -0.39 0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 2e0g h LEU 4 Cb 1.24 0.52 -0.07 0.00 -0.73 0.00 0.00 40.66 41.62 2e0g h LEU 4 CO 0.62 -0.47 -0.50 -0.25 -0.62 0.00 0.00 178.44 177.22 2e0g h TRP 5 N -0.60 -1.47 -0.82 1.25 7.01 -1.97 0.43 115.95 119.78 2e0g h TRP 5 Ca 0.04 0.06 0.20 0.00 2.11 0.00 0.00 58.89 61.30 2e0g h TRP 5 Cb 0.67 0.66 -0.14 0.00 -2.10 0.00 0.00 29.16 28.25 2e0g h TRP 5 CO -0.44 -0.52 0.08 1.96 -2.79 0.00 0.00 178.44 176.73 2e0g h GLN 6 N -0.54 0.13 -0.60 2.65 1.08 -1.90 0.27 115.11 116.19 2e0g h GLN 6 Ca 0.05 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2e0g h GLN 6 Cb 0.66 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 2e0g h GLN 6 CO -0.44 0.08 0.25 0.37 -0.95 0.00 0.00 178.83 178.15 2e0g h GLN 7 N 0.13 0.90 -0.92 1.46 4.15 -0.10 -1.67 115.11 119.05 2e0g h GLN 7 Ca 0.48 -0.16 0.07 0.00 0.77 0.00 0.00 58.65 59.81 2e0g h GLN 7 Cb 0.90 -0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.37 2e0g h GLN 7 CO -0.69 0.76 0.57 0.00 -1.93 0.00 0.00 178.83 177.54 2e0g h LEU 9 N 1.02 -0.43 -1.27 0.00 3.38 -0.94 -1.72 115.31 115.36 2e0g h LEU 9 Ca 0.41 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.36 2e0g h LEU 9 Cb 0.23 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2e0g h LEU 9 CO -0.19 -0.01 0.56 0.00 0.09 0.00 0.00 178.44 178.89 2e0g h ALA 10 N -0.63 1.73 -0.46 1.53 0.00 -1.13 0.18 119.26 120.48 2e0g h ALA 10 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2e0g h ALA 10 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2e0g h ALA 10 CO 0.08 0.07 -0.10 -0.09 0.00 0.00 0.00 179.25 179.21 2e0g h ARG 11 N 0.78 0.87 0.00 0.00 9.65 -0.44 0.36 114.38 125.61 2e0g h ARG 11 Ca 0.41 -0.33 -0.11 0.00 -1.10 0.00 0.00 59.98 58.85 2e0g h ARG 11 Cb 0.52 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 2e0g h ARG 11 CO -0.18 0.97 -0.52 1.25 2.80 0.00 0.00 179.97 184.30 2e0g h LEU 12 N 0.71 0.00 0.00 3.80 6.46 -0.29 -0.71 115.31 125.29 2e0g h LEU 12 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2e0g h LEU 12 Cb 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2e0g h LEU 12 CO 0.04 0.52 -0.76 -0.61 -0.62 0.00 0.00 178.44 177.01 2e0g h GLN 13 N 0.00 0.00 0.12 1.25 5.75 -0.50 -3.32 115.11 118.41 2e0g h GLN 13 Ca -0.01 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 2e0g h GLN 13 Cb 1.03 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 2e0g h GLN 13 CO 0.07 0.00 -1.97 -3.47 -2.65 0.00 0.00 178.83 170.81 2e0g n ASP 14 N -2.34 2.02 -0.07 -0.69 -0.08 0.13 -4.13 116.55 111.38 2e0g n ASP 14 Ca 0.02 0.23 0.02 0.00 -1.51 0.00 0.00 54.79 53.55 2e0g n ASP 14 Cb 0.48 -0.80 0.35 0.00 2.34 0.00 0.00 41.12 43.49 2e0g n ASP 14 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2e0g h GLU 15 N 0.07 0.69 -1.24 -0.67 4.81 -1.27 -3.46 114.58 113.50 2e0g h GLU 15 Ca -0.41 -0.05 0.26 0.00 -0.13 0.00 0.00 59.36 59.02 2e0g h GLU 15 Cb 2.04 -0.15 -0.22 0.00 0.63 0.00 0.00 28.75 31.04 2e0g h GLU 15 CO 0.09 0.48 0.88 -0.48 -0.73 0.00 0.00 179.01 179.26 2e0g s LEU 16 N -9.55 -0.09 -0.57 1.64 0.05 -1.25 -5.11 118.68 103.81 2e0g s LEU 16 Ca -0.09 0.04 -0.27 0.00 0.05 0.00 0.00 54.13 53.86 2e0g s LEU 16 Cb 0.17 1.23 -0.02 0.00 -2.05 0.00 0.00 46.19 45.52 2e0g s LEU 16 CO 0.75 -0.12 1.84 -2.16 -0.55 0.00 0.00 176.35 176.11 2e0g s PRO 17 N -1.80 2.74 -0.41 1.48 0.04 -1.26 -4.35 135.00 131.44 2e0g s PRO 17 Ca 0.09 0.72 0.04 0.00 0.04 0.00 0.00 61.00 61.89 2e0g s PRO 17 Cb -0.01 -4.35 0.17 0.00 0.04 0.00 0.00 34.50 30.34 2e0g s PRO 17 CO -0.05 -2.59 0.38 0.00 0.04 0.00 0.00 177.00 174.78 2e0g s ALA 18 N 8.70 0.69 -0.05 8.56 0.00 -1.26 -4.96 121.76 133.43 2e0g s ALA 18 Ca 0.69 -1.96 0.24 0.00 0.00 0.00 0.00 51.96 50.93 2e0g s ALA 18 Cb -0.14 -1.78 1.32 0.00 0.00 0.00 0.00 23.12 22.52 2e0g s ALA 18 CO 0.23 -2.04 1.73 0.00 0.00 0.00 0.00 175.76 175.68 2e0g h THR 19 N 4.77 0.00 -0.35 0.00 1.03 -1.95 -3.10 112.91 113.32 2e0g h THR 19 Ca 0.19 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.63 2e0g h THR 19 Cb 0.96 0.54 -0.07 0.00 -1.07 0.00 0.00 68.15 68.51 2e0g h THR 19 CO 0.29 0.00 -0.44 -0.33 -0.01 0.00 0.00 175.52 175.03 2e0g h GLU 20 N 0.00 -0.29 -0.78 0.00 5.08 -2.00 0.29 114.58 116.88 2e0g h GLU 20 Ca 0.00 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 2e0g h GLU 20 Cb 0.06 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2e0g h GLU 20 CO 0.00 -0.19 0.54 0.27 -1.00 0.00 0.00 179.01 178.63 2e0g h PHE 21 N -0.30 0.26 0.00 4.33 -5.15 -1.91 0.62 116.94 114.79 2e0g h PHE 21 Ca 0.06 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.84 2e0g h PHE 21 Cb 0.46 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.55 2e0g h PHE 21 CO -0.72 0.08 0.00 0.43 -2.00 0.00 0.00 178.31 176.10 2e0g n SER 22 N -4.41 0.63 -0.06 -0.68 7.64 0.99 -1.47 113.62 116.25 2e0g n SER 22 Ca 0.16 0.70 -0.05 0.00 1.01 0.00 0.00 58.87 60.69 2e0g n SER 22 Cb 0.71 -0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 62.98 2e0g n SER 22 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2e0g n MET 23 N -2.24 1.42 -1.07 1.43 2.81 0.21 -3.65 117.12 116.03 2e0g n MET 23 Ca 0.01 -0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.75 2e0g n MET 23 Cb 0.16 -1.38 0.25 0.00 -0.71 0.00 0.00 33.22 31.54 2e0g n MET 23 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2e0g n TRP 24 N -2.48 2.53 0.00 2.03 7.02 -0.53 -4.41 117.44 121.60 2e0g n TRP 24 Ca -0.21 -1.46 0.00 0.00 -1.02 0.00 0.00 57.50 54.81 2e0g n TRP 24 Cb 0.90 -0.76 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 2e0g n TRP 24 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2e0g n ILE 25 N -0.61 0.00 -0.04 -0.99 2.08 -0.54 -4.80 119.36 114.46 2e0g n ILE 25 Ca 0.47 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.64 2e0g n ILE 25 Cb 1.45 -0.03 -0.09 0.00 -0.75 0.00 0.00 39.64 40.23 2e0g n ILE 25 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2e0g h ARG 26 N 0.00 -0.49 0.00 0.38 3.08 -1.72 0.18 114.38 115.81 2e0g h ARG 26 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2e0g h ARG 26 Cb 0.00 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2e0g h ARG 26 CO 0.00 -0.33 0.00 -0.35 -1.07 0.00 0.00 179.97 178.22 2e0g n PRO 27 N -5.42 0.05 -2.48 0.04 -0.04 -1.26 -4.76 135.00 121.12 2e0g n PRO 27 Ca -0.05 0.23 -0.27 0.00 -0.04 0.00 0.00 63.50 63.37 2e0g n PRO 27 Cb 0.37 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 2e0g n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e0g s LEU 28 N -2.91 3.42 -0.26 1.53 1.43 0.62 -4.84 118.68 117.67 2e0g s LEU 28 Ca 0.08 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2e0g s LEU 28 Cb 0.09 -3.77 0.07 0.00 0.03 0.00 0.00 46.19 42.61 2e0g s LEU 28 CO 0.25 -0.82 -0.06 -1.58 0.23 0.00 0.00 176.35 174.38 2e0g s GLN 29 N -4.88 1.84 -0.19 1.70 -0.44 -0.34 -4.88 119.66 112.47 2e0g s GLN 29 Ca 0.51 -1.29 -0.16 0.00 -2.50 0.00 0.00 55.36 51.92 2e0g s GLN 29 Cb -0.10 -2.79 -0.04 0.00 -1.64 0.00 0.00 33.01 28.44 2e0g s GLN 29 CO 0.46 -0.65 0.39 0.00 0.50 0.00 0.00 175.29 175.99 2e0g s ALA 30 N 1.20 3.55 -0.13 1.58 0.00 -1.26 0.50 121.76 127.21 2e0g s ALA 30 Ca -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.45 2e0g s ALA 30 Cb -0.19 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 2e0g s ALA 30 CO -0.07 -0.21 -0.15 -2.00 0.00 0.00 0.00 175.76 173.33 2e0g s GLU 31 N 1.11 3.31 -0.30 0.00 2.56 0.11 -4.93 118.70 120.57 2e0g s GLU 31 Ca 0.19 -0.72 -0.22 0.00 0.00 0.00 0.00 54.97 54.22 2e0g s GLU 31 Cb -0.14 -2.58 -0.00 0.00 2.00 0.00 0.00 34.13 33.40 2e0g s GLU 31 CO 0.08 0.18 0.73 -0.51 -0.56 0.00 0.00 175.26 175.18 2e0g s LEU 32 N 0.41 4.10 0.00 2.70 1.43 -1.26 -1.47 118.68 124.59 2e0g s LEU 32 Ca -0.12 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2e0g s LEU 32 Cb -0.16 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.06 2e0g s LEU 32 CO 0.06 -0.55 0.00 -1.20 0.23 0.00 0.00 176.35 174.88 2e0g n SER 33 N 6.06 0.00 -0.12 2.29 7.64 -0.87 -4.93 113.62 123.69 2e0g n SER 33 Ca 0.02 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.18 2e0g n SER 33 Cb 0.48 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.38 2e0g n SER 33 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2e0g h ASP 34 N 0.00 0.00 0.00 6.43 5.19 -2.03 -3.35 116.42 122.66 2e0g h ASP 34 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2e0g h ASP 34 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2e0g h ASP 34 CO 0.00 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.71 2e0g n ASN 35 N -3.85 0.00 -3.66 6.45 4.13 -1.26 -5.07 115.26 111.99 2e0g n ASN 35 Ca 0.17 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.35 2e0g n ASN 35 Cb 1.01 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 39.15 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2e0g s THR 36 N 0.00 -0.58 -0.59 3.41 2.01 -1.26 -1.13 115.64 117.50 2e0g s THR 36 Ca 0.00 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 2e0g s THR 36 Cb 0.00 -0.69 0.05 0.00 0.01 0.00 0.00 72.50 71.87 2e0g s THR 36 CO 0.00 0.06 0.98 -0.22 -0.69 0.00 0.00 174.62 174.75 2e0g s LEU 37 N 2.46 4.07 -0.18 4.42 0.20 0.13 -2.06 118.68 127.73 2e0g s LEU 37 Ca -0.03 -0.47 -0.14 0.00 0.69 0.00 0.00 54.13 54.19 2e0g s LEU 37 Cb -0.11 -2.74 -0.05 0.00 -0.43 0.00 0.00 46.19 42.86 2e0g s LEU 37 CO -0.13 -1.32 0.28 0.00 -0.29 0.00 0.00 176.35 174.89 2e0g s ALA 38 N 4.13 3.59 0.14 5.97 0.00 -0.54 -0.14 121.76 134.91 2e0g s ALA 38 Ca 0.30 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2e0g s ALA 38 Cb -0.13 -2.41 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 2e0g s ALA 38 CO 0.17 0.01 0.41 -0.51 0.00 0.00 0.00 175.76 175.84 2e0g s LEU 39 N 0.66 4.27 -0.27 0.00 2.01 0.96 0.07 118.68 126.37 2e0g s LEU 39 Ca 0.15 0.69 0.01 0.00 0.01 0.00 0.00 54.13 55.00 2e0g s LEU 39 Cb -0.13 -3.30 0.07 0.00 0.01 0.00 0.00 46.19 42.84 2e0g s LEU 39 CO 0.04 0.06 -0.02 -0.31 1.01 0.00 0.00 176.35 177.12 2e0g s TYR 40 N -1.63 2.67 0.29 0.29 1.51 0.18 0.23 117.35 120.89 2e0g s TYR 40 Ca 0.40 -2.05 0.07 0.00 -1.01 0.00 0.00 57.07 54.48 2e0g s TYR 40 Cb -0.12 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2e0g s TYR 40 CO 0.22 -0.83 0.26 0.00 -1.11 0.00 0.00 175.55 174.09 2e0g s ALA 41 N 1.30 3.75 -0.85 3.71 0.00 -0.49 -1.20 121.76 127.97 2e0g s ALA 41 Ca -0.01 -1.50 0.17 0.00 0.00 0.00 0.00 51.96 50.61 2e0g s ALA 41 Cb -0.19 -1.30 0.71 0.00 0.00 0.00 0.00 23.12 22.35 2e0g s ALA 41 CO -0.09 0.14 1.53 -0.35 0.00 0.00 0.00 175.76 176.99 2e0g n PRO 42 N -1.30 0.06 -3.60 0.00 -0.04 -1.26 0.61 135.00 129.47 2e0g n PRO 42 Ca -0.05 0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2e0g n PRO 42 Cb 0.59 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2e0g n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2e0g s ASN 43 N -3.36 -0.44 0.42 3.54 6.03 -1.26 -4.07 114.94 115.80 2e0g s ASN 43 Ca 0.06 -0.25 0.20 0.00 -1.03 0.00 0.00 52.86 51.84 2e0g s ASN 43 Cb 0.09 0.65 0.92 0.00 -3.03 0.00 0.00 41.25 39.88 2e0g s ASN 43 CO 0.30 -1.12 1.86 -0.09 -2.03 0.00 0.00 177.10 176.01 2e0g h ARG 44 N 2.00 0.00 0.12 3.55 9.65 -1.87 -3.23 114.38 124.60 2e0g h ARG 44 Ca -0.28 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.62 2e0g h ARG 44 Cb 1.28 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.82 2e0g h ARG 44 CO 0.32 0.29 -0.51 0.35 2.80 0.00 0.00 179.97 183.22 2e0g h PHE 45 N 0.00 -1.46 -0.41 2.20 3.04 -1.98 -1.87 116.94 116.46 2e0g h PHE 45 Ca -0.00 0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.07 2e0g h PHE 45 Cb 0.67 0.62 -0.08 0.00 2.56 0.00 0.00 35.95 39.72 2e0g h PHE 45 CO 0.00 -0.58 -0.13 0.28 -2.02 0.00 0.00 178.31 175.86 2e0g h VAL 46 N -0.74 0.54 -0.41 1.41 2.07 -1.98 -2.24 116.25 114.90 2e0g h VAL 46 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2e0g h VAL 46 Cb 0.75 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 2e0g h VAL 46 CO -0.28 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 176.78 2e0g h LEU 47 N -0.04 -1.53 -0.45 2.57 3.38 -1.52 0.32 115.31 118.04 2e0g h LEU 47 Ca 0.20 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.49 2e0g h LEU 47 Cb 0.34 0.66 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 2e0g h LEU 47 CO -0.44 -0.38 -0.14 -0.78 0.09 0.00 0.00 178.44 176.79 2e0g h ASP 48 N -0.34 -0.49 0.25 -0.43 1.82 -0.81 0.24 116.42 116.66 2e0g h ASP 48 Ca 0.12 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.91 2e0g h ASP 48 Cb 0.59 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 2e0g h ASP 48 CO -0.58 -0.17 -0.19 -0.25 -1.61 0.00 0.00 179.24 176.44 2e0g h TRP 49 N -0.03 -0.49 -0.53 0.28 2.91 -0.64 -2.02 115.95 115.43 2e0g h TRP 49 Ca 0.22 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.31 2e0g h TRP 49 Cb 0.36 0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 29.14 2e0g h TRP 49 CO -0.41 -0.29 0.20 0.28 -1.03 0.00 0.00 178.44 177.20 2e0g h VAL 50 N -0.44 0.83 0.00 2.65 2.07 0.21 0.17 116.25 121.75 2e0g h VAL 50 Ca -0.02 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2e0g h VAL 50 Cb 0.39 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2e0g h VAL 50 CO -0.01 0.07 0.00 -1.14 0.02 0.00 0.00 177.57 176.51 2e0g n ARG 51 N -4.98 0.15 0.01 1.57 0.00 0.80 -0.14 116.66 114.06 2e0g n ARG 51 Ca 0.06 0.56 -0.10 0.00 -0.00 0.00 0.00 57.85 58.37 2e0g n ARG 51 Cb 0.21 -1.91 -0.08 0.00 0.00 0.00 0.00 32.46 30.67 2e0g n ARG 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2e0g h ASP 52 N 0.00 -0.10 0.00 6.15 1.82 0.09 -3.35 116.42 121.02 2e0g h ASP 52 Ca 0.00 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2e0g h ASP 52 Cb 0.12 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2e0g h ASP 52 CO 0.00 0.54 -0.70 2.29 -1.61 0.00 0.00 179.24 179.76 2e0g n LYS 53 N -4.83 0.37 -0.36 0.28 0.00 -1.05 -4.39 118.16 108.18 2e0g n LYS 53 Ca -0.07 0.15 -0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2e0g n LYS 53 Cb 0.28 -1.14 0.05 0.00 -0.00 0.00 0.00 35.03 34.21 2e0g n LYS 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2e0g n TYR 54 N -3.94 0.05 -0.07 5.58 9.36 0.80 -1.19 117.16 127.75 2e0g n TYR 54 Ca -0.10 1.15 -0.05 0.00 3.32 0.00 0.00 57.90 62.23 2e0g n TYR 54 Cb 0.36 -0.86 -0.03 0.00 -0.63 0.00 0.00 39.34 38.18 2e0g n TYR 54 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2e0g h LEU 55 N 0.00 -0.66 -0.91 2.98 5.85 -1.56 0.32 115.31 121.32 2e0g h LEU 55 Ca 0.33 0.09 0.23 0.00 0.84 0.00 0.00 57.88 59.38 2e0g h LEU 55 Cb 0.57 0.28 -0.17 0.00 0.37 0.00 0.00 40.66 41.71 2e0g h LEU 55 CO -0.93 -0.13 0.02 0.78 -0.34 0.00 0.00 178.44 177.84 2e0g h ASN 56 N -0.11 -0.43 0.87 1.25 4.21 -1.36 0.29 115.58 120.30 2e0g h ASN 56 Ca 0.03 0.25 -0.04 0.00 1.21 0.00 0.00 56.30 57.75 2e0g h ASN 56 Cb 0.19 0.44 0.01 0.00 -1.12 0.00 0.00 38.32 37.84 2e0g h ASN 56 CO -0.23 -0.29 -0.42 0.78 -1.29 0.00 0.00 177.43 175.99 2e0g h ASN 57 N 0.05 -0.99 0.01 5.81 2.35 -0.47 -1.70 115.58 120.64 2e0g h ASN 57 Ca 0.53 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.34 2e0g h ASN 57 Cb 1.04 0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.61 2e0g h ASN 57 CO -0.83 -0.67 -0.42 0.40 -1.65 0.00 0.00 177.43 174.26 2e0g h ILE 58 N -1.23 0.15 -0.41 2.81 1.08 0.11 -1.06 117.51 118.96 2e0g h ILE 58 Ca -0.12 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.42 2e0g h ILE 58 Cb 0.90 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.71 2e0g h ILE 58 CO 0.20 0.00 -0.46 0.78 -0.69 0.00 0.00 178.15 177.97 2e0g h ASN 59 N -0.58 -1.54 -0.89 1.72 -0.26 -0.53 0.19 115.58 113.69 2e0g h ASN 59 Ca 0.04 0.23 0.17 0.00 -0.56 0.00 0.00 56.30 56.18 2e0g h ASN 59 Cb 0.65 0.66 -0.07 0.00 -1.06 0.00 0.00 38.32 38.50 2e0g h ASN 59 CO -0.31 -0.38 0.58 1.23 -1.06 0.00 0.00 177.43 177.49 2e0g h GLY 60 N -0.34 1.11 0.54 2.83 0.00 -0.94 -1.76 103.07 104.52 2e0g h GLY 60 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2e0g h GLY 60 CO -0.59 0.04 -0.10 -2.00 0.00 0.00 0.00 176.54 173.90 2e0g h LEU 61 N 0.59 -0.24 -0.53 3.11 6.46 0.53 -1.82 115.31 123.41 2e0g h LEU 61 Ca 0.46 -0.27 0.11 0.00 -0.12 0.00 0.00 57.88 58.05 2e0g h LEU 61 Cb 0.88 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.77 2e0g h LEU 61 CO -0.21 0.20 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.59 2e0g h LEU 62 N -0.75 -0.57 -0.18 2.25 3.38 -0.22 0.82 115.31 120.05 2e0g h LEU 62 Ca -0.03 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2e0g h LEU 62 Cb 0.50 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2e0g h LEU 62 CO 0.05 -0.20 0.10 0.74 0.09 0.00 0.00 178.44 179.23 2e0g h THR 63 N -0.03 1.09 0.00 0.22 2.02 -1.39 -0.47 112.91 114.35 2e0g h THR 63 Ca 0.25 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2e0g h THR 63 Cb 0.41 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2e0g h THR 63 CO -0.56 0.09 -0.05 -1.28 0.37 0.00 0.00 175.52 174.09 2e0g h SER 64 N 0.20 0.00 0.11 4.18 0.87 -0.36 0.30 113.55 118.86 2e0g h SER 64 Ca 0.06 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 2e0g h SER 64 Cb 0.05 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2e0g h SER 64 CO -0.01 0.05 -0.75 0.15 -0.53 0.00 0.00 176.83 175.74 2e0g h PHE 65 N 0.00 0.53 0.00 2.24 3.57 0.14 -3.45 116.94 119.97 2e0g h PHE 65 Ca -0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2e0g h PHE 65 Cb 0.41 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2e0g h PHE 65 CO 0.00 1.27 -0.24 0.00 -2.23 0.00 0.00 178.31 177.11 2e0g n GLY 67 N 1.88 -1.85 3.41 0.00 0.00 0.11 -4.57 105.19 104.17 2e0g n GLY 67 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2e0g n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e0g n ALA 68 N 0.13 0.00 -0.01 4.61 0.00 -1.26 -4.68 120.51 119.30 2e0g n ALA 68 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2e0g n ALA 68 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 2e0g n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e0g n ASP 69 N 0.00 4.08 -4.79 0.00 2.03 -1.26 -5.04 116.55 111.56 2e0g n ASP 69 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2e0g n ASP 69 Cb 0.00 1.01 0.09 0.00 -0.72 0.00 0.00 41.12 41.50 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e0g s ALA 70 N -2.22 2.25 1.23 -1.67 0.00 -1.26 -5.01 121.76 115.07 2e0g s ALA 70 Ca -0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 2e0g s ALA 70 Cb 0.02 -3.15 0.30 0.00 0.00 0.00 0.00 23.12 20.29 2e0g s ALA 70 CO 0.16 -1.70 1.11 -1.25 0.00 0.00 0.00 175.76 174.08 2e0g s PRO 71 N -5.07 -1.42 0.51 0.00 0.04 -1.26 -4.96 135.00 122.84 2e0g s PRO 71 Ca 0.61 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.53 2e0g s PRO 71 Cb -0.15 -1.58 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 2e0g s PRO 71 CO 0.55 -3.83 0.08 -0.65 0.04 0.00 0.00 177.00 173.19 2e0g s GLN 72 N -5.46 2.20 -0.05 4.56 -0.21 -0.29 -4.84 119.66 115.57 2e0g s GLN 72 Ca 0.72 -2.33 0.05 0.00 0.02 0.00 0.00 55.36 53.82 2e0g s GLN 72 Cb -0.09 -1.64 -0.01 0.00 1.00 0.00 0.00 33.01 32.28 2e0g s GLN 72 CO 0.56 -0.40 -0.22 -1.17 -2.12 0.00 0.00 175.29 171.94 2e0g s LEU 73 N -3.95 2.01 0.21 2.90 2.96 -1.26 0.22 118.68 121.77 2e0g s LEU 73 Ca 0.11 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2e0g s LEU 73 Cb 0.01 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 2e0g s LEU 73 CO 0.07 0.21 0.02 -0.60 -1.32 0.00 0.00 176.35 174.73 2e0g s ARG 74 N -0.07 1.26 0.05 1.98 3.52 0.80 -4.91 118.95 121.57 2e0g s ARG 74 Ca -0.04 -1.64 0.02 0.00 -0.13 0.00 0.00 55.73 53.95 2e0g s ARG 74 Cb -0.13 -0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 32.86 2e0g s ARG 74 CO 0.03 -0.16 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.22 2e0g s PHE 75 N -3.61 0.74 -0.01 5.12 0.08 -1.26 -0.03 117.98 119.01 2e0g s PHE 75 Ca 0.29 -0.56 -0.19 0.00 0.12 0.00 0.00 56.93 56.59 2e0g s PHE 75 Cb 0.06 -0.44 0.03 0.00 -0.57 0.00 0.00 43.02 42.11 2e0g s PHE 75 CO 0.08 -0.08 0.40 -2.00 -0.10 0.00 0.00 175.22 173.51 2e0g s GLU 76 N -1.95 0.79 -0.45 0.44 2.12 0.13 -4.82 118.70 114.98 2e0g s GLU 76 Ca -0.06 -0.14 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 2e0g s GLU 76 Cb -0.08 0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.72 2e0g s GLU 76 CO -0.00 -0.24 0.40 0.54 -0.54 0.00 0.00 175.26 175.42 2e0g s VAL 77 N -1.53 5.17 0.33 3.70 0.11 -1.26 -1.40 120.40 125.52 2e0g s VAL 77 Ca -0.11 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 58.29 2e0g s VAL 77 Cb -0.03 -4.07 0.32 0.00 -1.53 0.00 0.00 36.38 31.07 2e0g s VAL 77 CO 0.04 -0.49 1.81 1.23 -3.33 0.00 0.00 175.10 174.36 2e0g h GLY 78 N 8.88 1.50 -5.47 6.54 0.00 -0.11 -3.42 103.07 110.98 2e0g h GLY 78 Ca -0.27 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 2e0g h GLY 78 CO 0.83 -0.01 -0.31 -0.51 0.00 0.00 0.00 176.54 176.54 2e0g s THR 79 N -5.75 -0.01 0.25 4.70 -4.23 -1.26 -5.06 115.64 104.29 2e0g s THR 79 Ca -0.10 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.55 2e0g s THR 79 Cb 0.24 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.50 2e0g s THR 79 CO 0.80 0.02 -0.01 -0.54 -0.54 0.00 0.00 174.62 174.34 2e0g s LYS 80 N 0.72 2.28 1.00 3.99 1.02 -1.26 -3.99 119.74 123.50 2e0g s LYS 80 Ca -0.04 -1.37 -0.12 0.00 0.02 0.00 0.00 55.97 54.45 2e0g s LYS 80 Cb -0.05 -2.18 0.19 0.00 -0.52 0.00 0.00 37.83 35.26 2e0g s LYS 80 CO -0.05 0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 174.60 2e0g s PRO 81 N -3.52 0.44 0.04 -1.68 0.04 -1.26 -5.08 135.00 123.98 2e0g s PRO 81 Ca 0.30 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2e0g s PRO 81 Cb -0.07 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2e0g s PRO 81 CO 0.19 -2.73 -0.10 0.08 0.04 0.00 0.00 177.00 174.48 2e0g s VAL 82 N -2.96 0.76 -0.07 -0.36 1.01 -1.26 -5.15 120.40 112.37 2e0g s VAL 82 Ca 0.65 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2e0g s VAL 82 Cb -0.19 -0.76 0.11 0.00 0.00 0.00 0.00 36.38 35.55 2e0g s VAL 82 CO 0.58 -0.23 0.92 0.28 0.00 0.00 0.00 175.10 176.65 2e0g s THR 83 N -1.13 0.00 0.26 3.92 -1.32 -1.26 -5.19 115.64 110.92 2e0g s THR 83 Ca -0.05 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.48 2e0g s THR 83 Cb -0.09 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2e0g s THR 83 CO 0.01 0.00 0.24 0.00 -2.21 0.00 0.00 174.62 172.66 2e0g n GLN 84 N 0.17 0.35 -2.65 7.08 10.64 -1.26 -5.13 117.38 126.58 2e0g n GLN 84 Ca -0.10 -2.56 -0.04 0.00 -1.83 0.00 0.00 57.00 52.47 2e0g n GLN 84 Cb 0.60 2.14 0.06 0.00 -0.86 0.00 0.00 30.24 32.19 2e0g n GLN 84 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2e0g n THR 85 N -0.49 0.00 -0.65 -0.39 5.66 -1.26 -5.18 114.28 111.97 2e0g n THR 85 Ca 0.05 -0.30 -0.09 0.00 -3.05 0.00 0.00 64.05 60.66 2e0g n THR 85 Cb 0.47 0.80 0.07 0.00 -1.55 0.00 0.00 70.33 70.13 2e0g n THR 85 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2e0g n PRO 86 N 1.90 -1.66 -3.60 1.09 -0.04 -1.26 -5.10 135.00 126.33 2e0g n PRO 86 Ca 0.04 -0.51 -0.04 0.00 -0.04 0.00 0.00 63.50 62.94 2e0g n PRO 86 Cb 0.70 -0.48 -0.02 0.00 -0.04 0.00 0.00 33.50 33.65 2e0g n PRO 86 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2e0g s GLN 87 N -3.73 0.28 -0.27 0.54 -0.21 -1.26 -5.19 119.66 109.82 2e0g s GLN 87 Ca 0.21 -0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.20 2e0g s GLN 87 Cb -0.02 0.13 0.18 0.00 1.00 0.00 0.00 33.01 34.31 2e0g s GLN 87 CO 0.16 -0.12 1.33 0.00 -2.12 0.00 0.00 175.29 174.54 2e0g s ALA 88 N -2.25 -2.11 -0.28 6.09 0.00 -1.26 -5.19 121.76 116.76 2e0g s ALA 88 Ca 0.09 1.87 -0.28 0.00 0.00 0.00 0.00 51.96 53.64 2e0g s ALA 88 Cb -0.01 -1.36 0.19 0.00 0.00 0.00 0.00 23.12 21.94 2e0g s ALA 88 CO -0.05 -0.27 1.36 0.00 0.00 0.00 0.00 175.76 176.80 2e0g s ALA 89 N -1.12 -2.14 -0.06 0.00 0.00 -1.26 -5.18 121.76 111.99 2e0g s ALA 89 Ca 0.08 1.82 -0.12 0.00 0.00 0.00 0.00 51.96 53.74 2e0g s ALA 89 Cb -0.01 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.58 2e0g s ALA 89 CO -0.07 -0.20 0.30 0.08 0.00 0.00 0.00 175.76 175.87 2e0g s VAL 90 N -0.71 0.03 -0.09 0.00 1.01 -1.26 -5.17 120.40 114.22 2e0g s VAL 90 Ca 0.08 -0.26 -0.32 0.00 0.00 0.00 0.00 61.98 61.48 2e0g s VAL 90 Cb -0.02 -0.52 0.12 0.00 0.00 0.00 0.00 36.38 35.96 2e0g s VAL 90 CO -0.10 -0.15 1.07 0.28 0.00 0.00 0.00 175.10 176.21 2e0g s THR 91 N -0.61 0.00 0.18 3.92 -1.32 -1.26 -5.19 115.64 111.36 2e0g s THR 91 Ca -0.07 -0.05 -0.08 0.00 -1.21 0.00 0.00 61.69 60.28 2e0g s THR 91 Cb -0.04 -1.11 0.03 0.00 -1.51 0.00 0.00 72.50 69.87 2e0g s THR 91 CO 0.02 0.00 0.40 -0.24 -2.21 0.00 0.00 174.62 172.60 2e0g n SER 92 N -0.20 -1.11 -3.64 8.08 2.88 -1.26 -5.19 113.62 113.19 2e0g n SER 92 Ca -0.04 -1.75 -0.02 0.00 -1.33 0.00 0.00 58.87 55.73 2e0g n SER 92 Cb 0.60 1.84 -0.03 0.00 -0.75 0.00 0.00 64.21 65.87 2e0g n SER 92 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2e0g s ASN 93 N -2.04 -0.04 0.03 -3.46 2.47 -1.26 -5.18 114.94 105.46 2e0g s ASN 93 Ca 0.08 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.38 2e0g s ASN 93 Cb -0.02 0.03 -0.02 0.00 -1.45 0.00 0.00 41.25 39.79 2e0g s ASN 93 CO 0.05 -0.05 -0.04 0.54 -3.72 0.00 0.00 177.10 173.89 2e0g s VAL 94 N -1.76 0.17 -0.29 -5.21 0.11 -1.26 -5.16 120.40 107.01 2e0g s VAL 94 Ca 0.11 -1.04 -0.26 0.00 -2.93 0.00 0.00 61.98 57.85 2e0g s VAL 94 Cb -0.01 -0.45 0.19 0.00 -1.53 0.00 0.00 36.38 34.57 2e0g s VAL 94 CO -0.04 -0.55 1.40 0.00 -3.33 0.00 0.00 175.10 172.58 2e0g s ALA 95 N -1.75 -2.19 -0.36 1.54 0.00 -1.26 -5.12 121.76 112.62 2e0g s ALA 95 Ca -0.12 1.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.54 2e0g s ALA 95 Cb -0.08 -1.70 0.24 0.00 0.00 0.00 0.00 23.12 21.59 2e0g s ALA 95 CO -0.02 -0.14 1.12 0.00 0.00 0.00 0.00 175.76 176.72 2e0g n ALA 96 N 1.35 -3.28 -1.02 0.00 0.00 -1.26 -5.17 120.51 111.13 2e0g n ALA 96 Ca -0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 2e0g n ALA 96 Cb 0.57 -2.91 0.08 0.00 0.00 0.00 0.00 19.45 17.19 2e0g n ALA 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2e0g n PRO 97 N 1.97 -1.71 -3.62 0.00 -0.04 -1.26 -5.10 135.00 125.25 2e0g n PRO 97 Ca 0.07 -0.56 0.02 0.00 -0.04 0.00 0.00 63.50 62.98 2e0g n PRO 97 Cb 0.67 -0.53 -0.00 0.00 -0.04 0.00 0.00 33.50 33.60 2e0g n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e0g s ALA 98 N -2.99 -2.30 -0.03 0.55 0.00 -1.26 -5.19 121.76 110.53 2e0g s ALA 98 Ca 0.23 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 2e0g s ALA 98 Cb -0.02 0.36 0.12 0.00 0.00 0.00 0.00 23.12 23.58 2e0g s ALA 98 CO 0.18 -1.06 1.32 -1.14 0.00 0.00 0.00 175.76 175.05 2e0g s GLN 99 N -2.33 0.32 -0.25 0.00 0.74 -1.26 -5.19 119.66 111.68 2e0g s GLN 99 Ca 0.15 -0.19 -0.28 0.00 0.05 0.00 0.00 55.36 55.09 2e0g s GLN 99 Cb 0.05 0.10 0.17 0.00 1.10 0.00 0.00 33.01 34.43 2e0g s GLN 99 CO -0.04 -0.15 1.25 0.54 -0.55 0.00 0.00 175.29 176.34 2e0g s VAL 100 N -2.24 0.00 -0.24 1.34 0.11 -1.26 -5.19 120.40 112.92 2e0g s VAL 100 Ca 0.18 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 2e0g s VAL 100 Cb 0.04 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.06 2e0g s VAL 100 CO -0.04 0.00 1.23 0.00 -3.33 0.00 0.00 175.10 172.97 2e0g s ALA 101 N -0.75 -2.06 -0.18 1.54 0.00 -1.26 -5.19 121.76 113.86 2e0g s ALA 101 Ca 0.05 1.78 -0.35 0.00 0.00 0.00 0.00 51.96 53.44 2e0g s ALA 101 Cb -0.02 -1.16 0.14 0.00 0.00 0.00 0.00 23.12 22.08 2e0g s ALA 101 CO -0.07 -0.29 1.24 -1.14 0.00 0.00 0.00 175.76 175.51 2e0g s GLN 102 N -1.15 0.28 -0.20 0.00 0.74 -1.26 -5.19 119.66 112.88 2e0g s GLN 102 Ca 0.06 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.05 2e0g s GLN 102 Cb -0.01 0.12 0.15 0.00 1.10 0.00 0.00 33.01 34.37 2e0g s GLN 102 CO -0.05 -0.12 1.15 0.95 -0.55 0.00 0.00 175.29 176.67 2e0g s THR 103 N -2.37 0.00 -0.40 -0.34 -4.23 -1.26 -5.11 115.64 101.93 2e0g s THR 103 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2e0g s THR 103 Cb -0.00 -1.00 0.25 0.00 1.34 0.00 0.00 72.50 73.09 2e0g s THR 103 CO -0.04 0.00 1.06 1.67 -0.54 0.00 0.00 174.62 176.77 2e0g n GLN 104 N 0.50 0.37 -0.76 3.99 -0.06 -1.26 -5.17 117.38 114.99 2e0g n GLN 104 Ca -0.05 -1.16 -0.22 0.00 -2.00 0.00 0.00 57.00 53.57 2e0g n GLN 104 Cb 0.58 -0.69 0.18 0.00 -4.06 0.00 0.00 30.24 26.26 2e0g n GLN 104 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2e0g n PRO 105 N 1.86 -2.59 -3.83 3.69 -0.04 -1.26 -5.09 135.00 127.74 2e0g n PRO 105 Ca 0.07 -1.27 0.01 0.00 -0.04 0.00 0.00 63.50 62.26 2e0g n PRO 105 Cb 0.66 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.93 2e0g n PRO 105 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2e0g s GLN 106 N -4.81 0.59 0.00 0.54 0.74 -1.26 -5.37 119.66 110.09 2e0g s GLN 106 Ca 0.52 -0.36 0.06 0.00 0.05 0.00 0.00 55.36 55.62 2e0g s GLN 106 Cb -0.05 0.18 0.35 0.00 1.10 0.00 0.00 33.01 34.59 2e0g s GLN 106 CO 0.40 -0.28 0.82 -2.13 -0.55 0.00 0.00 175.29 173.55