#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl1 s SER 2 N 0.00 -0.96 0.00 1.61 1.04 -1.26 -5.09 113.70 109.04 2dl1 s SER 2 Ca 0.00 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.71 2dl1 s SER 2 Cb 0.00 2.08 0.00 0.00 0.10 0.00 0.00 66.02 68.20 2dl1 s SER 2 CO 0.00 -0.18 0.74 -1.20 0.98 0.00 0.00 173.24 173.57 2dl1 n SER 3 N 5.29 0.00 0.00 7.02 7.64 -1.26 -4.98 113.62 127.34 2dl1 n SER 3 Ca -0.11 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2dl1 n SER 3 Cb 0.50 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2dl1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dl1 n GLY 4 N -0.83 -0.00 2.52 0.23 0.00 -1.26 -5.13 105.19 100.72 2dl1 n GLY 4 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2dl1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl1 s SER 5 N 0.00 2.67 -0.38 1.61 0.15 -1.26 -5.04 113.70 111.46 2dl1 s SER 5 Ca 0.00 -2.74 0.03 0.00 0.70 0.00 0.00 55.95 53.94 2dl1 s SER 5 Cb 0.00 -0.64 0.16 0.00 -1.71 0.00 0.00 66.02 63.83 2dl1 s SER 5 CO 0.00 -0.23 0.38 -0.55 1.20 0.00 0.00 173.24 174.03 2dl1 s SER 6 N 0.34 1.21 0.00 5.45 0.15 -1.26 -5.08 113.70 114.52 2dl1 s SER 6 Ca 0.24 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 55.16 2dl1 s SER 6 Cb -0.12 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2dl1 s SER 6 CO -0.08 -0.25 0.02 0.61 1.20 0.00 0.00 173.24 174.74 2dl1 n GLY 7 N 4.09 0.39 3.16 9.45 0.00 -1.26 -5.01 105.19 116.01 2dl1 n GLY 7 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2dl1 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dl1 s GLU 8 N -0.04 0.79 0.24 1.61 8.01 -1.26 -5.13 118.70 122.92 2dl1 s GLU 8 Ca 0.00 -0.96 -0.30 0.00 0.01 0.00 0.00 54.97 53.73 2dl1 s GLU 8 Cb 0.00 -0.74 -0.09 0.00 -4.31 0.00 0.00 34.13 28.99 2dl1 s GLU 8 CO 0.00 0.16 1.27 -1.25 0.01 0.00 0.00 175.26 175.45 2dl1 s PRO 9 N -1.84 4.42 0.00 0.39 0.04 -1.26 -4.89 135.00 131.86 2dl1 s PRO 9 Ca -0.02 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.12 2dl1 s PRO 9 Cb -0.09 -3.17 0.25 0.00 0.04 0.00 0.00 34.50 31.53 2dl1 s PRO 9 CO 0.02 -0.16 1.13 0.00 0.04 0.00 0.00 177.00 178.03 2dl1 n ALA 10 N 1.99 1.31 0.06 8.56 0.00 -1.26 -1.60 120.51 129.56 2dl1 n ALA 10 Ca 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2dl1 n ALA 10 Cb 0.43 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 2dl1 n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dl1 h GLU 11 N 0.00 0.17 0.13 0.00 3.07 -2.01 -3.32 114.58 112.62 2dl1 h GLU 11 Ca 0.00 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 2dl1 h GLU 11 Cb 0.08 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2dl1 h GLU 11 CO 0.00 1.03 -0.06 0.82 -1.40 0.00 0.00 179.01 179.40 2dl1 h ILE 12 N 0.05 0.27 -1.21 3.13 2.04 -1.69 -3.19 117.51 116.92 2dl1 h ILE 12 Ca -0.19 -1.03 0.45 0.00 1.00 0.00 0.00 64.86 65.09 2dl1 h ILE 12 Cb 1.96 0.49 -0.15 0.00 -0.74 0.00 0.00 36.82 38.38 2dl1 h ILE 12 CO 0.15 0.08 0.73 2.29 0.00 0.00 0.00 178.15 181.41 2dl1 n LYS 13 N -4.88 -0.04 -0.12 2.37 2.85 -1.13 0.18 118.16 117.38 2dl1 n LYS 13 Ca -0.04 1.28 -0.12 0.00 -1.05 0.00 0.00 58.31 58.38 2dl1 n LYS 13 Cb 0.14 -2.43 -0.03 0.00 -0.65 0.00 0.00 35.03 32.06 2dl1 n LYS 13 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 2dl1 h ILE 14 N 0.00 1.29 -0.67 0.58 2.04 -1.66 -3.01 117.51 116.07 2dl1 h ILE 14 Ca 0.85 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 65.42 2dl1 h ILE 14 Cb 2.56 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 39.97 2dl1 h ILE 14 CO -0.57 0.43 0.44 0.40 0.00 0.00 0.00 178.15 178.85 2dl1 h ILE 15 N 0.54 1.14 0.00 -0.67 2.04 0.19 -1.89 117.51 118.86 2dl1 h ILE 15 Ca 0.08 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2dl1 h ILE 15 Cb 0.73 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2dl1 h ILE 15 CO 0.05 0.16 0.00 0.54 0.00 0.00 0.00 178.15 178.90 2dl1 n ARG 16 N -4.45 0.00 -0.19 2.37 1.74 -0.76 0.61 116.66 115.98 2dl1 n ARG 16 Ca 0.07 0.48 -0.06 0.00 -0.77 0.00 0.00 57.85 57.58 2dl1 n ARG 16 Cb 0.07 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2dl1 n ARG 16 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2dl1 h GLU 17 N 0.00 -0.18 -0.72 5.56 4.81 -1.53 0.79 114.58 123.31 2dl1 h GLU 17 Ca 0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2dl1 h GLU 17 Cb 0.00 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2dl1 h GLU 17 CO 0.00 -0.12 0.44 0.00 -0.73 0.00 0.00 179.01 178.60 2dl1 h ALA 18 N 0.90 0.95 -0.79 2.92 0.00 -1.38 -0.25 119.26 121.61 2dl1 h ALA 18 Ca 0.22 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2dl1 h ALA 18 Cb 0.55 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2dl1 h ALA 18 CO -0.66 0.20 0.52 -0.92 0.00 0.00 0.00 179.25 178.38 2dl1 h TYR 19 N 0.85 0.82 0.09 0.00 3.20 0.24 0.25 116.97 122.42 2dl1 h TYR 19 Ca 0.30 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2dl1 h TYR 19 Cb 0.06 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2dl1 h TYR 19 CO -0.05 0.41 -0.04 -0.22 -1.64 0.00 0.00 178.16 176.62 2dl1 h LYS 20 N 0.79 -0.12 -1.06 1.82 3.64 -0.24 -2.72 116.57 118.68 2dl1 h LYS 20 Ca 0.35 0.01 0.29 0.00 -1.27 0.00 0.00 60.65 60.03 2dl1 h LYS 20 Cb 0.34 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 2dl1 h LYS 20 CO -0.13 -0.08 0.72 0.87 -2.27 0.00 0.00 179.45 178.56 2dl1 h LYS 21 N -0.57 0.21 0.09 1.90 1.57 -1.04 1.23 116.57 119.96 2dl1 h LYS 21 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2dl1 h LYS 21 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2dl1 h LYS 21 CO 0.02 0.14 -0.04 0.00 -0.57 0.00 0.00 179.45 179.00 2dl1 h ALA 22 N 1.55 -0.12 0.00 3.86 0.00 -0.61 -2.74 119.26 121.20 2dl1 h ALA 22 Ca 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dl1 h ALA 22 Cb 1.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2dl1 h ALA 22 CO -0.16 -0.37 0.00 1.19 0.00 0.00 0.00 179.25 179.91 2dl1 n PHE 23 N -4.96 0.26 0.09 0.00 3.72 -0.14 -2.86 117.46 113.57 2dl1 n PHE 23 Ca -0.08 0.08 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 2dl1 n PHE 23 Cb 0.23 -0.62 -0.05 0.00 -0.94 0.00 0.00 39.48 38.09 2dl1 n PHE 23 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2dl1 h LEU 24 N 0.00 -0.27 -1.28 4.37 5.85 0.15 -2.58 115.31 121.55 2dl1 h LEU 24 Ca 0.00 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 2dl1 h LEU 24 Cb 0.56 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2dl1 h LEU 24 CO 0.00 0.23 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.73 2dl1 h PHE 25 N -1.03 0.00 -0.22 1.25 0.04 -1.60 -3.04 116.94 112.34 2dl1 h PHE 25 Ca -0.03 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2dl1 h PHE 25 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2dl1 h PHE 25 CO 0.04 0.33 -0.03 0.28 -0.60 0.00 0.00 178.31 178.33 2dl1 h VAL 26 N 0.00 1.27 -0.21 -0.55 2.07 -1.61 -1.74 116.25 115.48 2dl1 h VAL 26 Ca -0.00 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2dl1 h VAL 26 Cb 0.67 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2dl1 h VAL 26 CO 0.04 0.30 0.19 -1.13 0.02 0.00 0.00 177.57 176.99 2dl1 h ASN 27 N 0.16 0.00 0.00 0.57 -0.73 -1.34 -2.14 115.58 112.10 2dl1 h ASN 27 Ca 0.06 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.23 2dl1 h ASN 27 Cb 0.46 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.05 2dl1 h ASN 27 CO 0.02 0.00 -0.03 0.11 -0.37 0.00 0.00 177.43 177.16 2dl1 h LYS 28 N 0.00 0.00 -0.84 6.67 6.56 -1.50 -3.28 116.57 124.19 2dl1 h LYS 28 Ca 0.10 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.90 2dl1 h LYS 28 Cb 0.48 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.00 2dl1 h LYS 28 CO -0.00 0.33 0.23 0.78 -2.06 0.00 0.00 179.45 178.73 2dl1 h GLY 29 N -1.00 1.28 0.55 3.86 0.00 -1.03 0.54 103.07 107.28 2dl1 h GLY 29 Ca -0.00 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.34 2dl1 h GLY 29 CO -0.00 -0.31 0.10 1.41 0.00 0.00 0.00 176.54 177.74 2dl1 h LEU 30 N 0.25 0.06 0.64 3.11 3.38 -1.54 -0.94 115.31 120.27 2dl1 h LEU 30 Ca 0.51 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.52 2dl1 h LEU 30 Cb 0.99 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2dl1 h LEU 30 CO -0.60 0.07 -0.36 -1.13 0.09 0.00 0.00 178.44 176.51 2dl1 h ASN 31 N 0.24 -0.89 -0.59 -0.43 -1.24 -0.98 -2.64 115.58 109.06 2dl1 h ASN 31 Ca 0.19 0.04 0.12 0.00 0.71 0.00 0.00 56.30 57.37 2dl1 h ASN 31 Cb 0.21 0.25 -0.11 0.00 0.73 0.00 0.00 38.32 39.41 2dl1 h ASN 31 CO -0.23 -0.58 -0.06 0.71 -1.29 0.00 0.00 177.43 175.97 2dl1 h THR 32 N -0.93 0.46 -0.79 -3.57 1.35 -1.13 0.32 112.91 108.62 2dl1 h THR 32 Ca -0.08 -0.02 0.18 0.00 -0.55 0.00 0.00 66.41 65.94 2dl1 h THR 32 Cb 0.74 0.40 -0.05 0.00 -1.73 0.00 0.00 68.15 67.51 2dl1 h THR 32 CO 0.10 0.01 0.54 -0.78 -0.25 0.00 0.00 175.52 175.14 2dl1 h ASP 33 N 0.06 0.27 1.42 5.36 -0.00 -1.00 0.38 116.42 122.90 2dl1 h ASP 33 Ca 0.30 0.02 -0.11 0.00 -0.00 0.00 0.00 57.03 57.24 2dl1 h ASP 33 Cb 0.47 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.76 2dl1 h ASP 33 CO -0.55 0.12 -0.59 -0.33 -0.00 0.00 0.00 179.24 177.89 2dl1 h GLU 34 N 0.28 0.00 0.00 0.28 4.39 -0.08 -3.25 114.58 116.20 2dl1 h GLU 34 Ca 0.39 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.94 2dl1 h GLU 34 Cb 1.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2dl1 h GLU 34 CO -0.10 0.51 -0.88 -0.07 -1.16 0.00 0.00 179.01 177.32 2dl1 h LEU 35 N 0.00 0.00 0.00 1.33 3.38 0.11 -3.48 115.31 116.65 2dl1 h LEU 35 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dl1 h LEU 35 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2dl1 h LEU 35 CO 0.07 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.89 2dl1 n GLY 36 N 1.31 0.96 3.39 0.83 0.00 0.58 -5.05 105.19 107.21 2dl1 n GLY 36 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 2dl1 n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dl1 n GLN 37 N -0.52 3.36 0.04 1.61 6.02 -0.70 -4.81 117.38 122.39 2dl1 n GLN 37 Ca 0.00 -3.69 -0.12 0.00 -0.01 0.00 0.00 57.00 53.17 2dl1 n GLN 37 Cb 0.00 -3.10 -0.08 0.00 1.02 0.00 0.00 30.24 28.08 2dl1 n GLN 37 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2dl1 h LYS 38 N 6.98 -0.04 -0.82 -1.09 6.56 -1.91 -1.15 116.57 125.10 2dl1 h LYS 38 Ca 0.36 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 60.02 2dl1 h LYS 38 Cb 0.83 0.01 -0.10 0.00 -0.57 0.00 0.00 32.23 32.40 2dl1 h LYS 38 CO 1.34 0.07 -0.49 1.05 -2.06 0.00 0.00 179.45 179.36 2dl1 h GLU 39 N -0.14 -0.01 0.36 3.15 4.11 -1.98 0.18 114.58 120.26 2dl1 h GLU 39 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2dl1 h GLU 39 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2dl1 h GLU 39 CO 0.01 -0.00 -0.17 0.93 0.07 0.00 0.00 179.01 179.84 2dl1 h GLU 40 N -0.01 -0.47 -0.96 1.06 3.07 -1.97 -2.97 114.58 112.34 2dl1 h GLU 40 Ca 0.13 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 59.12 2dl1 h GLU 40 Cb 0.34 0.11 -0.12 0.00 -0.84 0.00 0.00 28.75 28.24 2dl1 h GLU 40 CO -0.78 -0.24 -0.56 0.00 -1.40 0.00 0.00 179.01 176.04 2dl1 h ALA 41 N -0.03 -0.46 -0.25 3.43 0.00 -0.17 0.13 119.26 121.92 2dl1 h ALA 41 Ca -0.05 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2dl1 h ALA 41 Cb 0.45 1.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 2dl1 h ALA 41 CO 0.08 -0.92 -0.46 0.87 0.00 0.00 0.00 179.25 178.82 2dl1 h LYS 42 N -0.03 -0.43 -0.15 0.00 1.57 -0.68 -1.91 116.57 114.94 2dl1 h LYS 42 Ca 0.18 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 2dl1 h LYS 42 Cb 0.45 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 2dl1 h LYS 42 CO -0.92 -0.29 -0.37 -0.97 -0.57 0.00 0.00 179.45 176.33 2dl1 h ASN 43 N -0.45 -1.17 -0.85 0.86 -1.24 -0.92 -0.23 115.58 111.59 2dl1 h ASN 43 Ca 0.09 0.16 0.16 0.00 0.71 0.00 0.00 56.30 57.42 2dl1 h ASN 43 Cb 0.62 0.49 -0.16 0.00 0.73 0.00 0.00 38.32 40.00 2dl1 h ASN 43 CO -0.48 -0.39 -0.25 1.88 -1.29 0.00 0.00 177.43 176.89 2dl1 h TYR 44 N -0.44 -0.60 -0.67 0.67 0.05 -0.22 0.51 116.97 116.28 2dl1 h TYR 44 Ca 0.09 0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.89 2dl1 h TYR 44 Cb 0.59 0.39 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 2dl1 h TYR 44 CO -0.46 -0.38 0.18 1.88 -1.05 0.00 0.00 178.16 178.34 2dl1 h TYR 45 N -0.02 1.08 -0.10 4.88 0.05 -0.58 0.04 116.97 122.31 2dl1 h TYR 45 Ca 0.38 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 59.07 2dl1 h TYR 45 Cb 0.61 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 2dl1 h TYR 45 CO -0.70 0.87 0.07 0.87 -1.05 0.00 0.00 178.16 178.22 2dl1 h LYS 46 N 0.99 0.06 0.05 4.88 1.57 0.17 0.12 116.57 124.42 2dl1 h LYS 46 Ca 0.21 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.78 2dl1 h LYS 46 Cb 0.32 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2dl1 h LYS 46 CO -0.00 0.04 -1.11 1.96 -0.57 0.00 0.00 179.45 179.76 2dl1 h GLN 47 N 0.06 0.11 0.00 3.15 4.20 -0.54 -3.36 115.11 118.74 2dl1 h GLN 47 Ca 0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2dl1 h GLN 47 Cb 0.09 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2dl1 h GLN 47 CO -0.00 1.09 -0.02 0.78 -0.67 0.00 0.00 178.83 180.00 2dl1 h GLY 48 N -0.47 0.00 1.00 3.46 0.00 -0.76 -2.59 103.07 103.71 2dl1 h GLY 48 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dl1 h GLY 48 CO -0.05 0.00 0.12 -2.22 0.00 0.00 0.00 176.54 174.40 2dl1 h ILE 49 N 0.00 1.05 0.28 2.60 2.04 -1.11 -1.22 117.51 121.15 2dl1 h ILE 49 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2dl1 h ILE 49 Cb 0.05 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2dl1 h ILE 49 CO 0.00 0.05 -0.43 1.23 0.00 0.00 0.00 178.15 179.00 2dl1 h GLY 50 N 0.25 -0.97 0.52 5.37 0.00 -1.61 -2.57 103.07 104.06 2dl1 h GLY 50 Ca 0.07 0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.98 2dl1 h GLY 50 CO -0.01 -0.30 0.22 0.45 0.00 0.00 0.00 176.54 176.89 2dl1 h HIS 51 N -0.78 0.39 -0.21 5.60 3.86 -1.57 -1.15 115.15 121.29 2dl1 h HIS 51 Ca -0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2dl1 h HIS 51 Cb 0.74 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.08 2dl1 h HIS 51 CO -0.30 0.13 -0.23 -0.07 0.86 0.00 0.00 177.93 178.33 2dl1 h LEU 52 N 0.41 -0.78 -0.73 2.43 3.38 -0.86 -1.17 115.31 118.01 2dl1 h LEU 52 Ca 0.26 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.40 2dl1 h LEU 52 Cb 0.27 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 2dl1 h LEU 52 CO -0.25 -0.15 0.42 -0.07 0.09 0.00 0.00 178.44 178.49 2dl1 h LEU 53 N -0.13 0.64 -1.22 1.67 3.38 -1.32 -1.82 115.31 116.52 2dl1 h LEU 53 Ca 0.04 0.02 0.43 0.00 0.09 0.00 0.00 57.88 58.46 2dl1 h LEU 53 Cb 0.22 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.72 2dl1 h LEU 53 CO -0.27 0.41 0.73 -0.09 0.09 0.00 0.00 178.44 179.31 2dl1 h ARG 54 N 0.78 0.07 0.00 1.13 2.43 0.03 1.72 114.38 120.54 2dl1 h ARG 54 Ca 0.32 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2dl1 h ARG 54 Cb 0.18 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2dl1 h ARG 54 CO -0.18 0.05 -0.96 0.78 -1.51 0.00 0.00 179.97 178.14 2dl1 h GLY 55 N 0.07 0.00 1.06 2.80 0.00 -0.84 -3.31 103.07 102.84 2dl1 h GLY 55 Ca 0.83 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.16 2dl1 h GLY 55 CO -0.56 0.00 -0.50 1.39 0.00 0.00 0.00 176.54 176.87 2dl1 n ILE 56 N -2.88 0.04 -1.05 2.60 5.41 0.51 -3.76 119.36 120.24 2dl1 n ILE 56 Ca -0.03 -0.03 0.04 0.00 1.00 0.00 0.00 62.75 63.73 2dl1 n ILE 56 Cb 0.68 0.18 0.29 0.00 -0.71 0.00 0.00 39.64 40.07 2dl1 n ILE 56 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2dl1 n SER 57 N -1.57 4.24 0.00 4.38 7.64 0.28 -4.82 113.62 123.76 2dl1 n SER 57 Ca 0.05 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2dl1 n SER 57 Cb 0.35 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2dl1 n SER 57 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2dl1 n ILE 58 N -0.32 0.00 0.02 0.44 2.08 -1.25 -5.02 119.36 115.31 2dl1 n ILE 58 Ca 0.28 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.77 2dl1 n ILE 58 Cb 1.07 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 2dl1 n ILE 58 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2dl1 n SER 59 N 0.00 -0.29 -3.47 4.38 2.88 -1.26 -5.06 113.62 110.79 2dl1 n SER 59 Ca 0.00 0.12 -0.23 0.00 -1.33 0.00 0.00 58.87 57.43 2dl1 n SER 59 Cb 0.00 0.47 0.06 0.00 -0.75 0.00 0.00 64.21 63.98 2dl1 n SER 59 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dl1 n SER 60 N -2.09 -5.74 -2.68 -3.46 2.88 -1.26 -4.94 113.62 96.33 2dl1 n SER 60 Ca 0.00 -0.86 -0.05 0.00 -1.33 0.00 0.00 58.87 56.63 2dl1 n SER 60 Cb 0.00 -4.30 0.05 0.00 -0.75 0.00 0.00 64.21 59.21 2dl1 n SER 60 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dl1 n LYS 61 N -3.74 0.63 -0.04 -1.46 4.81 -1.26 -4.99 118.16 112.11 2dl1 n LYS 61 Ca -0.09 -1.19 -0.05 0.00 -0.87 0.00 0.00 58.31 56.11 2dl1 n LYS 61 Cb 0.61 -0.04 -0.07 0.00 0.02 0.00 0.00 35.03 35.55 2dl1 n LYS 61 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2dl1 n GLU 62 N -0.51 2.46 -3.07 1.64 0.28 -1.26 -5.08 120.64 115.10 2dl1 n GLU 62 Ca -0.16 -0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.75 2dl1 n GLU 62 Cb 0.74 -1.23 -0.02 0.00 1.43 0.00 0.00 31.44 32.36 2dl1 n GLU 62 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dl1 n SER 63 N -2.35 -0.84 0.22 -1.84 2.88 -1.26 -5.03 113.62 105.40 2dl1 n SER 63 Ca -0.15 -2.18 0.09 0.00 -1.33 0.00 0.00 58.87 55.30 2dl1 n SER 63 Cb 0.78 1.57 0.50 0.00 -0.75 0.00 0.00 64.21 66.32 2dl1 n SER 63 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dl1 h GLU 64 N 0.00 0.00 -5.03 -1.46 4.39 -2.01 -3.48 114.58 106.98 2dl1 h GLU 64 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2dl1 h GLU 64 Cb 0.74 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 2dl1 h GLU 64 CO 0.23 0.25 -1.18 0.72 -1.16 0.00 0.00 179.01 177.87 2dl1 n HIS 65 N -3.62 -4.09 -3.77 4.33 8.25 -1.26 -5.06 115.22 110.00 2dl1 n HIS 65 Ca -0.01 2.02 -0.13 0.00 -0.26 0.00 0.00 57.72 59.34 2dl1 n HIS 65 Cb 0.38 -3.94 -0.14 0.00 1.12 0.00 0.00 29.99 27.41 2dl1 n HIS 65 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2dl1 s THR 66 N -1.28 -0.04 0.00 1.59 -4.23 -1.26 -5.01 115.64 105.42 2dl1 s THR 66 Ca -0.10 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2dl1 s THR 66 Cb 0.01 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.63 2dl1 s THR 66 CO 0.77 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.52 2dl1 n GLY 67 N 3.94 -1.79 3.66 3.99 0.00 -1.26 -4.92 105.19 108.80 2dl1 n GLY 67 Ca -0.23 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 2dl1 n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl1 s PRO 68 N 0.00 4.19 0.00 1.61 0.04 -1.26 -4.26 135.00 135.32 2dl1 s PRO 68 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2dl1 s PRO 68 Cb 0.00 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2dl1 s PRO 68 CO 0.00 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2dl1 n GLY 69 N 3.98 -0.53 0.20 0.56 0.00 -1.26 -4.90 105.19 103.23 2dl1 n GLY 69 Ca 0.16 0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.53 2dl1 n GLY 69 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2dl1 h TRP 70 N 0.00 0.00 0.00 1.61 4.06 -1.95 -3.13 115.95 116.55 2dl1 h TRP 70 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2dl1 h TRP 70 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2dl1 h TRP 70 CO 0.00 0.00 0.00 -1.91 -3.56 0.00 0.00 178.44 172.97 2dl1 n GLU 71 N -2.47 0.00 -0.16 0.49 4.07 -1.26 -0.94 120.64 120.37 2dl1 n GLU 71 Ca -0.01 0.52 -0.04 0.00 -0.06 0.00 0.00 57.16 57.57 2dl1 n GLU 71 Cb 0.12 -1.45 0.05 0.00 -0.06 0.00 0.00 31.44 30.10 2dl1 n GLU 71 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2dl1 h SER 72 N 0.00 0.31 -0.90 4.31 0.02 -1.92 -1.20 113.55 114.17 2dl1 h SER 72 Ca 0.00 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.20 2dl1 h SER 72 Cb 0.00 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 2dl1 h SER 72 CO 0.00 0.22 0.60 0.00 -1.14 0.00 0.00 176.83 176.51 2dl1 h ALA 73 N 1.27 2.32 -0.01 3.77 0.00 -1.55 0.24 119.26 125.31 2dl1 h ALA 73 Ca 0.22 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 2dl1 h ALA 73 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2dl1 h ALA 73 CO -0.17 -0.61 -0.86 0.00 0.00 0.00 0.00 179.25 177.62 2dl1 h ARG 74 N 0.33 0.24 -0.10 0.00 3.08 0.18 -3.08 114.38 115.03 2dl1 h ARG 74 Ca 0.47 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 2dl1 h ARG 74 Cb 1.28 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 2dl1 h ARG 74 CO -0.15 0.96 -0.05 1.96 -1.07 0.00 0.00 179.97 181.62 2dl1 h GLN 75 N 0.14 0.21 -0.01 0.04 1.08 -0.09 -2.38 115.11 114.10 2dl1 h GLN 75 Ca -0.05 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2dl1 h GLN 75 Cb 1.47 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.90 2dl1 h GLN 75 CO 0.13 0.57 0.01 0.52 -0.95 0.00 0.00 178.83 179.11 2dl1 h MET 76 N -0.15 0.00 -0.00 1.46 2.86 -1.25 -2.48 114.93 115.37 2dl1 h MET 76 Ca 0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2dl1 h MET 76 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2dl1 h MET 76 CO 0.02 0.00 -0.08 1.96 1.06 0.00 0.00 176.91 179.86 2dl1 h GLN 77 N 0.00 0.06 -0.76 1.72 4.20 -1.42 -3.21 115.11 115.70 2dl1 h GLN 77 Ca 0.00 -0.06 0.18 0.00 0.06 0.00 0.00 58.65 58.83 2dl1 h GLN 77 Cb 0.02 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 27.70 2dl1 h GLN 77 CO -0.00 0.82 0.11 0.37 -0.67 0.00 0.00 178.83 179.45 2dl1 h GLN 78 N -0.67 0.18 -0.30 1.46 4.15 -0.96 0.69 115.11 119.66 2dl1 h GLN 78 Ca -0.01 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.44 2dl1 h GLN 78 Cb 0.84 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.45 2dl1 h GLN 78 CO 0.02 0.12 0.06 -0.22 -1.93 0.00 0.00 178.83 176.88 2dl1 h LYS 79 N 0.18 0.17 0.34 1.69 3.64 -1.61 -1.40 116.57 119.57 2dl1 h LYS 79 Ca 0.43 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2dl1 h LYS 79 Cb 0.77 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2dl1 h LYS 79 CO -0.60 0.11 -0.16 0.52 -2.27 0.00 0.00 179.45 177.05 2dl1 h MET 80 N 0.17 -0.43 -0.97 1.90 2.86 -0.98 -0.19 114.93 117.29 2dl1 h MET 80 Ca 0.14 0.03 0.24 0.00 -2.06 0.00 0.00 59.70 58.05 2dl1 h MET 80 Cb 0.15 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 2dl1 h MET 80 CO -0.18 -0.25 0.65 -0.22 1.06 0.00 0.00 176.91 177.96 2dl1 h LYS 81 N -0.51 0.33 0.08 1.72 3.64 -0.75 0.35 116.57 121.44 2dl1 h LYS 81 Ca -0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2dl1 h LYS 81 Cb 0.38 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2dl1 h LYS 81 CO 0.08 0.22 -0.04 0.93 -2.27 0.00 0.00 179.45 178.36 2dl1 h GLU 82 N 0.34 -0.11 -0.33 1.90 5.08 -0.81 -3.15 114.58 117.50 2dl1 h GLU 82 Ca 0.52 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.96 2dl1 h GLU 82 Cb 1.42 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.61 2dl1 h GLU 82 CO -0.19 -0.07 -0.29 1.15 -1.00 0.00 0.00 179.01 178.61 2dl1 h THR 83 N -0.40 0.29 -0.62 1.13 2.02 -0.78 -2.39 112.91 112.16 2dl1 h THR 83 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2dl1 h THR 83 Cb 0.08 0.29 -0.09 0.00 -1.74 0.00 0.00 68.15 66.69 2dl1 h THR 83 CO 0.02 0.00 -0.54 0.25 0.37 0.00 0.00 175.52 175.61 2dl1 h LEU 84 N -0.26 -1.90 -1.80 2.58 7.12 -0.47 1.07 115.31 121.66 2dl1 h LEU 84 Ca 0.16 0.27 0.25 0.00 0.13 0.00 0.00 57.88 58.68 2dl1 h LEU 84 Cb 0.51 0.81 -0.03 0.00 -0.53 0.00 0.00 40.66 41.42 2dl1 h LEU 84 CO -0.48 -0.32 0.77 0.06 -0.13 0.00 0.00 178.44 178.35 2dl1 h GLN 85 N -0.22 0.00 0.00 1.25 3.07 -1.39 1.00 115.11 118.82 2dl1 h GLN 85 Ca 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.71 2dl1 h GLN 85 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 2dl1 h GLN 85 CO -0.70 0.00 -1.42 -1.71 0.09 0.00 0.00 178.83 175.09 2dl1 n ASN 86 N -3.79 0.76 0.12 0.06 5.15 0.31 -4.18 115.26 113.69 2dl1 n ASN 86 Ca 0.18 0.32 -0.10 0.00 -0.60 0.00 0.00 54.58 54.38 2dl1 n ASN 86 Cb 1.06 0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 40.63 2dl1 n ASN 86 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2dl1 h VAL 87 N 0.00 0.52 -1.00 3.44 2.07 0.68 -2.72 116.25 119.24 2dl1 h VAL 87 Ca -0.14 -0.84 0.34 0.00 0.82 0.00 0.00 66.70 66.88 2dl1 h VAL 87 Cb 1.46 0.84 -0.16 0.00 -1.52 0.00 0.00 31.29 31.91 2dl1 h VAL 87 CO 0.03 0.12 0.54 0.03 0.02 0.00 0.00 177.57 178.32 2dl1 h ARG 88 N -0.95 0.23 -0.30 1.57 3.08 -1.44 0.54 114.38 117.10 2dl1 h ARG 88 Ca -0.04 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 2dl1 h ARG 88 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2dl1 h ARG 88 CO 0.06 0.15 -0.23 1.15 -1.07 0.00 0.00 179.97 180.04 2dl1 h THR 89 N 0.24 1.30 -0.56 2.04 2.02 -1.72 -2.56 112.91 113.67 2dl1 h THR 89 Ca 0.75 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 2dl1 h THR 89 Cb 1.78 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 2dl1 h THR 89 CO -0.65 0.44 0.32 0.03 0.37 0.00 0.00 175.52 176.03 2dl1 h ARG 90 N 0.45 0.76 0.00 6.66 -0.00 0.33 -1.37 114.38 121.21 2dl1 h ARG 90 Ca 0.06 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.98 59.39 2dl1 h ARG 90 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.58 2dl1 h ARG 90 CO 0.06 0.55 -0.36 1.25 0.00 0.00 0.00 179.97 181.46 2dl1 h LEU 91 N 0.77 0.00 -0.68 3.04 5.85 -0.98 -2.78 115.31 120.53 2dl1 h LEU 91 Ca 0.20 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 2dl1 h LEU 91 Cb -0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2dl1 h LEU 91 CO -0.04 0.36 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.00 2dl1 h GLU 92 N 0.00 0.92 -0.04 1.25 5.08 -0.82 -2.59 114.58 118.38 2dl1 h GLU 92 Ca -0.00 -0.32 -0.22 0.00 -1.00 0.00 0.00 59.36 57.81 2dl1 h GLU 92 Cb 0.94 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.13 2dl1 h GLU 92 CO 0.05 0.97 -0.84 0.82 -1.00 0.00 0.00 179.01 179.02 2dl1 h ILE 93 N 0.83 1.32 0.12 3.13 5.03 -1.44 -3.09 117.51 123.41 2dl1 h ILE 93 Ca 0.14 -2.11 0.02 0.00 -0.12 0.00 0.00 64.86 62.78 2dl1 h ILE 93 Cb 0.63 2.34 -0.04 0.00 -3.03 0.00 0.00 36.82 36.72 2dl1 h ILE 93 CO 0.04 0.65 -0.32 -0.07 -0.68 0.00 0.00 178.15 177.77 2dl1 h LEU 94 N 0.28 -0.91 -0.26 1.44 3.38 -1.44 1.50 115.31 119.29 2dl1 h LEU 94 Ca -0.09 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2dl1 h LEU 94 Cb 1.50 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 42.53 2dl1 h LEU 94 CO 0.17 -0.41 -0.15 -0.33 0.09 0.00 0.00 178.44 177.81 2dl1 h GLU 95 N -0.54 -0.11 -0.00 1.13 4.39 -1.57 0.17 114.58 118.04 2dl1 h GLU 95 Ca 0.03 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2dl1 h GLU 95 Cb 0.57 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2dl1 h GLU 95 CO -0.18 -0.08 -0.00 0.36 -1.16 0.00 0.00 179.01 177.95 2dl1 n LYS 96 N -5.31 1.03 0.00 2.33 -0.00 -1.02 -3.10 118.16 112.09 2dl1 n LYS 96 Ca -0.00 -0.05 0.13 0.00 -0.00 0.00 0.00 58.31 58.38 2dl1 n LYS 96 Cb 0.23 -1.50 0.32 0.00 -0.00 0.00 0.00 35.03 34.08 2dl1 n LYS 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dl1 n GLY 97 N 1.01 -0.22 3.87 2.58 0.00 0.51 -4.93 105.19 108.01 2dl1 n GLY 97 Ca 0.24 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2dl1 n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dl1 s LEU 98 N -2.34 2.47 0.05 0.99 2.96 -1.08 -5.01 118.68 116.72 2dl1 s LEU 98 Ca 0.27 -1.44 0.04 0.00 -0.22 0.00 0.00 54.13 52.78 2dl1 s LEU 98 Cb 0.19 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 2dl1 s LEU 98 CO 0.47 -1.08 -0.12 0.00 -1.32 0.00 0.00 176.35 174.30 2dl1 s ALA 99 N -2.84 1.00 -0.15 5.97 0.00 -1.26 -5.05 121.76 119.43 2dl1 s ALA 99 Ca 0.21 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2dl1 s ALA 99 Cb -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2dl1 s ALA 99 CO 0.13 0.13 -0.19 0.99 0.00 0.00 0.00 175.76 176.82 2dl1 s THR 100 N -1.14 1.91 -0.29 0.00 2.01 -1.26 -5.07 115.64 111.79 2dl1 s THR 100 Ca -0.03 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 2dl1 s THR 100 Cb -0.09 -1.71 0.19 0.00 0.01 0.00 0.00 72.50 70.90 2dl1 s THR 100 CO 0.01 0.52 0.74 -0.44 -0.69 0.00 0.00 174.62 174.76 2dl1 s SER 101 N 1.04 -1.20 0.56 3.53 0.01 -1.26 -5.13 113.70 111.25 2dl1 s SER 101 Ca -0.03 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2dl1 s SER 101 Cb -0.14 1.83 0.00 0.00 0.21 0.00 0.00 66.02 67.92 2dl1 s SER 101 CO -0.06 -0.22 0.00 0.18 0.41 0.00 0.00 173.24 173.55 2dl1 n LEU 102 N 5.36 -1.66 -4.96 2.44 7.99 -1.26 -4.99 117.00 119.93 2dl1 n LEU 102 Ca 0.03 2.75 -0.19 0.00 -0.01 0.00 0.00 56.01 58.59 2dl1 n LEU 102 Cb 0.54 -2.95 -0.01 0.00 -0.11 0.00 0.00 43.42 40.89 2dl1 n LEU 102 CO -0.07 -0.68 0.05 0.00 -1.51 0.00 0.00 177.39 175.19 2dl1 s GLN 103 N -5.22 2.90 0.27 3.23 0.00 -1.26 -5.14 119.66 114.45 2dl1 s GLN 103 Ca 0.00 -1.19 0.02 0.00 -0.00 0.00 0.00 55.36 54.19 2dl1 s GLN 103 Cb 0.00 -2.69 -0.05 0.00 0.00 0.00 0.00 33.01 30.27 2dl1 s GLN 103 CO 0.00 -0.05 0.10 -0.80 0.00 0.00 0.00 175.29 174.54 2dl1 s ASN 104 N -4.18 1.36 0.07 12.60 0.01 -1.26 -5.17 114.94 118.37 2dl1 s ASN 104 Ca 0.47 -1.42 -0.27 0.00 -0.71 0.00 0.00 52.86 50.93 2dl1 s ASN 104 Cb -0.08 0.19 0.09 0.00 0.41 0.00 0.00 41.25 41.85 2dl1 s ASN 104 CO 0.30 -0.75 1.10 -1.81 -1.51 0.00 0.00 177.10 174.43 2dl1 s ASP 105 N -3.34 -0.13 0.03 -1.22 1.11 -1.26 -5.17 116.67 106.69 2dl1 s ASP 105 Ca 0.37 -0.28 0.04 0.00 0.18 0.00 0.00 52.55 52.87 2dl1 s ASP 105 Cb 0.07 0.34 -0.03 0.00 1.07 0.00 0.00 42.92 44.37 2dl1 s ASP 105 CO 0.14 -0.63 -0.08 -0.76 1.18 0.00 0.00 175.17 175.02 2dl1 s LEU 106 N -2.94 3.09 -0.14 1.23 1.43 -1.26 -5.02 118.68 115.07 2dl1 s LEU 106 Ca 0.13 -0.22 0.17 0.00 -1.03 0.00 0.00 54.13 53.18 2dl1 s LEU 106 Cb 0.01 -1.80 0.43 0.00 0.03 0.00 0.00 46.19 44.86 2dl1 s LEU 106 CO -0.01 0.26 1.19 0.00 0.23 0.00 0.00 176.35 178.02 2dl1 n GLN 107 N 1.37 1.13 -3.76 1.70 10.64 -1.26 -5.06 117.38 122.14 2dl1 n GLN 107 Ca -0.15 -2.88 -0.37 0.00 -1.83 0.00 0.00 57.00 51.78 2dl1 n GLN 107 Cb 0.52 -1.05 -0.07 0.00 -0.86 0.00 0.00 30.24 28.79 2dl1 n GLN 107 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2dl1 s GLU 108 N -2.06 3.78 0.50 2.61 2.56 -1.26 -5.06 118.70 119.76 2dl1 s GLU 108 Ca 0.37 -0.06 -0.23 0.00 0.00 0.00 0.00 54.97 55.05 2dl1 s GLU 108 Cb 0.38 -3.28 -0.07 0.00 2.00 0.00 0.00 34.13 33.16 2dl1 s GLU 108 CO -0.10 0.58 1.21 1.33 -0.56 0.00 0.00 175.26 177.72 2dl1 n VAL 109 N 2.54 3.21 -1.84 3.70 0.24 -1.26 -4.96 118.33 119.96 2dl1 n VAL 109 Ca -0.17 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.29 2dl1 n VAL 109 Cb 0.54 -1.47 0.04 0.00 -1.47 0.00 0.00 33.84 31.47 2dl1 n VAL 109 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dl1 s PRO 110 N -2.53 2.89 -0.25 7.34 0.04 -1.26 -5.03 135.00 136.19 2dl1 s PRO 110 Ca 0.68 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 2dl1 s PRO 110 Cb -0.46 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 2dl1 s PRO 110 CO 0.53 -1.19 0.05 -1.12 0.04 0.00 0.00 177.00 175.30 2dl1 s SER 111 N -2.43 4.94 0.00 6.66 0.01 -1.26 -4.71 113.70 116.91 2dl1 s SER 111 Ca 0.68 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2dl1 s SER 111 Cb -0.21 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2dl1 s SER 111 CO 0.39 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2dl1 n GLY 112 N 4.89 0.85 3.74 3.44 0.00 -1.26 -5.10 105.19 111.74 2dl1 n GLY 112 Ca -0.16 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2dl1 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl1 s PRO 113 N -2.04 1.76 0.00 1.61 0.04 -1.26 -5.02 135.00 130.09 2dl1 s PRO 113 Ca 0.00 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2dl1 s PRO 113 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2dl1 s PRO 113 CO 0.00 -1.94 0.00 0.43 0.04 0.00 0.00 177.00 175.53 2dl1 n SER 114 N -3.71 0.00 -2.26 6.66 7.64 -1.26 -5.12 113.62 115.57 2dl1 n SER 114 Ca 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.94 2dl1 n SER 114 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2dl1 n SER 114 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dl1 n SER 115 N -2.18 -5.61 0.00 6.43 7.64 -1.26 -5.35 113.62 113.29 2dl1 n SER 115 Ca 0.00 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2dl1 n SER 115 Cb 0.00 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.57 2dl1 n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64