#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlr s SER 2 N 0.00 0.79 -0.07 1.61 0.01 -1.26 -5.16 113.70 109.62 2dlr s SER 2 Ca 0.00 -1.39 -0.03 0.00 1.31 0.00 0.00 55.95 55.84 2dlr s SER 2 Cb 0.00 0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.53 2dlr s SER 2 CO 0.00 -0.78 0.13 -0.94 0.41 0.00 0.00 173.24 172.06 2dlr s SER 3 N -3.25 0.85 -0.02 2.44 1.04 -1.26 -5.03 113.70 108.46 2dlr s SER 3 Ca 0.38 0.25 -0.02 0.00 0.48 0.00 0.00 55.95 57.05 2dlr s SER 3 Cb 0.07 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2dlr s SER 3 CO 0.13 -0.24 0.03 0.61 0.98 0.00 0.00 173.24 174.75 2dlr n GLY 4 N 5.29 -3.35 3.63 7.32 0.00 -1.26 -5.05 105.19 111.76 2dlr n GLY 4 Ca -0.05 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2dlr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlr s SER 5 N -0.11 5.13 -0.04 1.61 0.15 -1.26 -5.11 113.70 114.07 2dlr s SER 5 Ca -0.04 0.06 -0.19 0.00 0.70 0.00 0.00 55.95 56.49 2dlr s SER 5 Cb 0.00 -1.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 2dlr s SER 5 CO 0.10 0.31 0.41 -0.94 1.20 0.00 0.00 173.24 174.31 2dlr s SER 6 N -0.45 -0.33 0.00 5.45 1.04 -1.26 -5.11 113.70 113.05 2dlr s SER 6 Ca 0.08 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2dlr s SER 6 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dlr s SER 6 CO 0.02 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2dlr n GLY 7 N 1.32 -1.16 3.89 7.32 0.00 -1.26 -5.15 105.19 110.15 2dlr n GLY 7 Ca -0.20 0.56 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 2dlr n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlr s SER 8 N 2.00 6.50 0.35 1.61 0.01 -1.26 -5.03 113.70 117.89 2dlr s SER 8 Ca 0.00 0.84 -0.27 0.00 1.31 0.00 0.00 55.95 57.83 2dlr s SER 8 Cb 0.00 -2.20 -0.12 0.00 0.21 0.00 0.00 66.02 63.91 2dlr s SER 8 CO 0.00 -0.20 1.09 -0.11 0.41 0.00 0.00 173.24 174.43 2dlr n LEU 9 N -0.82 2.62 -4.89 2.44 -0.00 -1.26 -4.98 117.00 110.11 2dlr n LEU 9 Ca -0.00 1.13 -0.30 0.00 -0.00 0.00 0.00 56.01 56.84 2dlr n LEU 9 Cb 0.54 -1.37 0.20 0.00 -0.00 0.00 0.00 43.42 42.78 2dlr n LEU 9 CO 0.47 -1.16 0.85 -0.54 -0.00 0.00 0.00 177.39 177.02 2dlr s LYS 10 N -1.82 0.36 -0.16 1.96 -0.14 -1.26 -5.03 119.74 113.64 2dlr s LYS 10 Ca 0.59 -0.39 -0.26 0.00 -1.36 0.00 0.00 55.97 54.55 2dlr s LYS 10 Cb -0.61 -1.81 -0.24 0.00 -1.68 0.00 0.00 37.83 33.49 2dlr s LYS 10 CO 0.59 -2.61 0.58 0.66 -0.76 0.00 0.00 175.35 173.81 2dlr h SER 11 N -1.78 0.01 -0.95 2.83 4.64 -2.00 -3.34 113.55 112.95 2dlr h SER 11 Ca -0.44 -0.83 0.15 0.00 -0.47 0.00 0.00 61.79 60.20 2dlr h SER 11 Cb 1.24 -0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.17 2dlr h SER 11 CO 0.36 1.18 -0.34 0.35 -0.87 0.00 0.00 176.83 177.51 2dlr n THR 12 N -4.54 -0.48 -0.24 2.95 -2.24 -1.26 0.96 114.28 109.42 2dlr n THR 12 Ca -0.18 2.21 0.03 0.00 -2.27 0.00 0.00 64.05 63.84 2dlr n THR 12 Cb 0.56 -2.95 0.15 0.00 -2.10 0.00 0.00 70.33 65.99 2dlr n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dlr h ALA 13 N 1.42 0.99 -0.30 6.98 0.00 -1.98 0.50 119.26 126.87 2dlr h ALA 13 Ca 0.35 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2dlr h ALA 13 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dlr h ALA 13 CO -0.95 -0.12 0.19 0.87 0.00 0.00 0.00 179.25 179.24 2dlr h LYS 14 N 0.53 0.40 0.09 0.00 1.57 0.47 -0.99 116.57 118.63 2dlr h LYS 14 Ca 0.37 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2dlr h LYS 14 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dlr h LYS 14 CO -0.32 0.29 -0.04 -1.49 -0.57 0.00 0.00 179.45 177.32 2dlr h TRP 15 N 0.39 -0.11 -0.94 -1.35 6.55 -0.27 -2.79 115.95 117.44 2dlr h TRP 15 Ca 0.11 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 60.05 2dlr h TRP 15 Cb -0.01 0.04 -0.08 0.00 -0.86 0.00 0.00 29.16 28.25 2dlr h TRP 15 CO -0.05 0.01 0.58 0.00 -1.05 0.00 0.00 178.44 177.93 2dlr h ALA 16 N 0.71 1.37 -0.04 1.49 0.00 -0.81 -2.49 119.26 119.50 2dlr h ALA 16 Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dlr h ALA 16 Cb 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2dlr h ALA 16 CO 0.02 0.22 -0.29 0.00 0.00 0.00 0.00 179.25 179.20 2dlr h ALA 17 N 1.49 -0.38 -2.33 0.00 0.00 -0.92 -3.45 119.26 113.67 2dlr h ALA 17 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 2dlr h ALA 17 Cb 0.39 0.52 -0.17 0.00 0.00 0.00 0.00 17.79 18.53 2dlr h ALA 17 CO -0.24 -0.79 0.09 0.45 0.00 0.00 0.00 179.25 178.76 2dlr s SER 18 N -4.89 -0.52 0.23 0.00 0.15 -0.94 -5.05 113.70 102.69 2dlr s SER 18 Ca -0.15 0.39 -0.08 0.00 0.70 0.00 0.00 55.95 56.80 2dlr s SER 18 Cb 0.10 0.50 0.22 0.00 -1.71 0.00 0.00 66.02 65.13 2dlr s SER 18 CO 0.66 -0.67 1.91 0.25 1.20 0.00 0.00 173.24 176.59 2dlr h LEU 19 N 2.91 1.04 -0.93 3.45 5.85 -1.88 -2.39 115.31 123.37 2dlr h LEU 19 Ca -0.29 -0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.64 2dlr h LEU 19 Cb 1.19 -0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.83 2dlr h LEU 19 CO 0.40 0.76 0.44 -0.33 -0.34 0.00 0.00 178.44 179.37 2dlr h GLU 20 N 1.23 0.39 -0.43 1.25 5.08 -1.93 0.58 114.58 120.75 2dlr h GLU 20 Ca 0.33 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2dlr h GLU 20 Cb -0.13 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2dlr h GLU 20 CO -0.07 0.26 0.04 -0.91 -1.00 0.00 0.00 179.01 177.33 2dlr h ASN 21 N 0.40 0.62 0.00 1.42 2.35 -1.66 0.29 115.58 119.00 2dlr h ASN 21 Ca 0.61 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.24 2dlr h ASN 21 Cb 1.20 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2dlr h ASN 21 CO -0.55 0.67 -0.00 0.25 -1.65 0.00 0.00 177.43 176.15 2dlr h LEU 22 N 0.64 -0.00 -0.33 1.61 5.85 0.03 -2.09 115.31 121.01 2dlr h LEU 22 Ca 0.14 -0.65 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 2dlr h LEU 22 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2dlr h LEU 22 CO 0.01 0.65 0.09 -0.07 -0.34 0.00 0.00 178.44 178.78 2dlr h LEU 23 N -0.67 0.49 -1.29 2.25 3.38 -0.72 -2.81 115.31 115.94 2dlr h LEU 23 Ca -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2dlr h LEU 23 Cb 0.66 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2dlr h LEU 23 CO 0.00 0.58 0.30 1.05 0.09 0.00 0.00 178.44 180.45 2dlr h GLU 24 N 0.37 0.78 -6.43 1.13 -0.00 -0.52 -3.42 114.58 106.49 2dlr h GLU 24 Ca 0.10 -0.08 -0.54 0.00 -0.00 0.00 0.00 59.36 58.84 2dlr h GLU 24 Cb 0.27 -0.16 -0.04 0.00 -0.00 0.00 0.00 28.75 28.83 2dlr h GLU 24 CO -0.00 0.59 0.04 -0.51 -0.00 0.00 0.00 179.01 179.13 2dlr s ASP 25 N -6.54 7.06 -0.02 3.06 1.01 -0.79 -5.01 116.67 115.45 2dlr s ASP 25 Ca -0.10 1.35 -0.25 0.00 0.71 0.00 0.00 52.55 54.26 2dlr s ASP 25 Cb 0.17 -2.39 -0.19 0.00 1.01 0.00 0.00 42.92 41.52 2dlr s ASP 25 CO 0.77 0.14 1.19 1.55 0.21 0.00 0.00 175.17 179.03 2dlr h PRO 26 N 3.87 -0.10 -0.87 8.23 0.13 -1.82 -3.07 132.00 138.37 2dlr h PRO 26 Ca -0.48 0.01 0.23 0.00 -0.87 0.00 0.00 66.00 64.88 2dlr h PRO 26 Cb 1.20 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2dlr h PRO 26 CO 0.65 0.35 0.26 0.93 -0.23 0.00 0.00 178.00 179.95 2dlr h GLU 27 N -0.60 0.23 0.75 0.86 5.08 -1.95 -1.76 114.58 117.21 2dlr h GLU 27 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2dlr h GLU 27 Cb 0.50 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2dlr h GLU 27 CO 0.02 0.16 -0.36 0.78 -1.00 0.00 0.00 179.01 178.60 2dlr h GLY 28 N 0.24 -1.06 -0.73 -3.84 0.00 -1.72 -2.87 103.07 93.09 2dlr h GLY 28 Ca 0.54 0.39 0.22 0.00 0.00 0.00 0.00 47.33 48.48 2dlr h GLY 28 CO -0.62 -0.38 -0.05 -2.08 0.00 0.00 0.00 176.54 173.41 2dlr h VAL 29 N -1.08 0.14 -0.26 4.60 2.07 -1.29 0.27 116.25 120.70 2dlr h VAL 29 Ca -0.10 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.47 2dlr h VAL 29 Cb 0.78 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2dlr h VAL 29 CO 0.17 0.01 -0.24 0.11 0.02 0.00 0.00 177.57 177.64 2dlr h LYS 30 N 0.04 -0.23 -0.12 1.57 1.57 -1.28 0.21 116.57 118.34 2dlr h LYS 30 Ca 0.50 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.28 2dlr h LYS 30 Cb 0.92 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2dlr h LYS 30 CO -0.85 -0.15 0.02 0.00 -0.57 0.00 0.00 179.45 177.90 2dlr h ARG 31 N -0.24 0.19 -0.64 3.15 2.47 -0.48 -2.94 114.38 115.89 2dlr h ARG 31 Ca 0.14 -0.05 0.12 0.00 -1.26 0.00 0.00 59.98 58.93 2dlr h ARG 31 Cb 0.46 -0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.67 2dlr h ARG 31 CO -0.40 0.40 0.19 0.35 0.56 0.00 0.00 179.97 181.07 2dlr h PHE 32 N -0.04 0.32 0.44 3.04 3.57 -0.14 -2.49 116.94 121.64 2dlr h PHE 32 Ca 0.03 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2dlr h PHE 32 Cb 0.30 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2dlr h PHE 32 CO 0.02 0.02 -0.50 0.00 -2.23 0.00 0.00 178.31 175.62 2dlr h ARG 33 N 0.33 -0.92 -0.96 1.11 3.08 -0.51 -1.59 114.38 114.92 2dlr h ARG 33 Ca 0.34 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.60 2dlr h ARG 33 Cb 0.49 0.21 -0.16 0.00 0.08 0.00 0.00 29.97 30.60 2dlr h ARG 33 CO -0.39 -0.61 -0.38 0.93 -1.07 0.00 0.00 179.97 178.45 2dlr h GLU 34 N -0.96 -0.01 0.34 0.04 4.39 -1.27 0.29 114.58 117.40 2dlr h GLU 34 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2dlr h GLU 34 Cb 0.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2dlr h GLU 34 CO -0.10 -0.01 -0.28 0.35 -1.16 0.00 0.00 179.01 177.82 2dlr h PHE 35 N -0.01 -0.76 -0.44 4.33 3.57 -1.22 -2.92 116.94 119.48 2dlr h PHE 35 Ca 0.34 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.90 2dlr h PHE 35 Cb 0.60 0.29 -0.09 0.00 2.79 0.00 0.00 35.95 39.54 2dlr h PHE 35 CO -0.85 -0.39 -0.52 -0.07 -2.23 0.00 0.00 178.31 174.25 2dlr h LEU 36 N -0.60 -1.76 -0.82 0.59 3.38 -0.29 0.11 115.31 115.91 2dlr h LEU 36 Ca -0.04 0.24 0.32 0.00 0.09 0.00 0.00 57.88 58.49 2dlr h LEU 36 Cb 0.51 0.74 -0.15 0.00 0.09 0.00 0.00 40.66 41.84 2dlr h LEU 36 CO 0.00 -0.39 0.36 1.17 0.09 0.00 0.00 178.44 179.67 2dlr n LYS 37 N -5.38 -0.05 -0.23 1.13 0.00 0.92 0.11 118.16 114.66 2dlr n LYS 37 Ca -0.02 1.15 0.01 0.00 0.00 0.00 0.00 58.31 59.45 2dlr n LYS 37 Cb 0.34 -2.02 0.09 0.00 0.00 0.00 0.00 35.03 33.45 2dlr n LYS 37 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2dlr h LYS 38 N 0.00 0.03 -0.62 1.64 1.79 -0.59 0.35 116.57 119.18 2dlr h LYS 38 Ca 0.66 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 2dlr h LYS 38 Cb 1.69 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 2dlr h LYS 38 CO -0.66 0.02 0.00 -0.85 -1.08 0.00 0.00 179.45 176.88 2dlr n GLU 39 N -5.41 4.42 -3.42 3.15 0.28 0.30 -4.92 120.64 115.05 2dlr n GLU 39 Ca 0.09 -3.02 -0.23 0.00 -0.16 0.00 0.00 57.16 53.85 2dlr n GLU 39 Cb 0.37 -2.12 0.07 0.00 1.43 0.00 0.00 31.44 31.19 2dlr n GLU 39 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2dlr n PHE 40 N 0.83 -2.58 0.52 -1.84 3.72 0.12 -4.89 117.46 113.34 2dlr n PHE 40 Ca 0.27 0.86 0.09 0.00 -0.05 0.00 0.00 57.45 58.62 2dlr n PHE 40 Cb 1.07 -4.81 -0.12 0.00 -0.94 0.00 0.00 39.48 34.68 2dlr n PHE 40 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2dlr n SER 41 N -2.77 0.79 -0.28 4.37 2.88 -0.74 -4.57 113.62 113.29 2dlr n SER 41 Ca -0.02 -0.57 -0.09 0.00 -1.33 0.00 0.00 58.87 56.85 2dlr n SER 41 Cb 0.57 1.34 -0.06 0.00 -0.75 0.00 0.00 64.21 65.32 2dlr n SER 41 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2dlr h GLU 42 N 0.00 -0.16 -1.47 -1.46 4.81 -1.84 0.52 114.58 114.98 2dlr h GLU 42 Ca 0.00 0.01 0.43 0.00 -0.13 0.00 0.00 59.36 59.67 2dlr h GLU 42 Cb 0.60 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 2dlr h GLU 42 CO 0.00 -0.11 1.08 -0.85 -0.73 0.00 0.00 179.01 178.40 2dlr n GLU 43 N -5.36 0.00 0.06 1.92 0.28 -1.26 -0.45 120.64 115.83 2dlr n GLU 43 Ca 0.02 0.82 -0.06 0.00 -0.16 0.00 0.00 57.16 57.78 2dlr n GLU 43 Cb 0.33 -1.90 -0.03 0.00 1.43 0.00 0.00 31.44 31.27 2dlr n GLU 43 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2dlr h ASN 44 N 0.00 -0.50 -0.97 -1.84 4.21 -0.27 -2.38 115.58 113.82 2dlr h ASN 44 Ca 0.70 0.05 0.07 0.00 1.21 0.00 0.00 56.30 58.33 2dlr h ASN 44 Cb 2.84 0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 40.15 2dlr h ASN 44 CO -0.01 -0.20 0.63 -0.37 -1.29 0.00 0.00 177.43 176.19 2dlr h VAL 45 N -0.29 1.06 -1.03 2.81 -1.51 -0.91 -1.60 116.25 114.78 2dlr h VAL 45 Ca -0.01 -0.38 0.28 0.00 -1.23 0.00 0.00 66.70 65.36 2dlr h VAL 45 Cb 0.27 -0.14 -0.12 0.00 -2.13 0.00 0.00 31.29 29.16 2dlr h VAL 45 CO -0.06 0.20 0.63 -0.07 -1.23 0.00 0.00 177.57 177.04 2dlr h LEU 46 N 1.11 0.55 0.19 4.19 3.38 -1.27 0.33 115.31 123.79 2dlr h LEU 46 Ca 0.43 0.13 -0.26 0.00 0.09 0.00 0.00 57.88 58.27 2dlr h LEU 46 Cb 0.22 0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.05 2dlr h LEU 46 CO -0.17 0.03 -1.13 0.15 0.09 0.00 0.00 178.44 177.40 2dlr h PHE 47 N 0.45 0.78 -0.32 1.13 3.57 -0.80 -3.15 116.94 118.59 2dlr h PHE 47 Ca 0.66 -0.56 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2dlr h PHE 47 Cb 1.49 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.16 2dlr h PHE 47 CO -0.01 1.43 0.16 2.35 -2.23 0.00 0.00 178.31 180.02 2dlr h TRP 48 N -0.09 0.30 0.34 0.41 7.01 -0.52 -2.66 115.95 120.74 2dlr h TRP 48 Ca -0.19 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.81 2dlr h TRP 48 Cb 1.88 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 28.84 2dlr h TRP 48 CO 0.16 0.16 -0.29 -0.07 -2.79 0.00 0.00 178.44 175.61 2dlr h LEU 49 N 0.34 -0.77 -0.89 0.65 3.38 -0.59 -2.55 115.31 114.88 2dlr h LEU 49 Ca 0.14 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.41 2dlr h LEU 49 Cb 0.05 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 40.90 2dlr h LEU 49 CO -0.09 -0.43 0.18 0.00 0.09 0.00 0.00 178.44 178.19 2dlr h ALA 50 N -0.10 1.23 -0.38 1.53 0.00 -1.47 0.18 119.26 120.25 2dlr h ALA 50 Ca -0.02 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2dlr h ALA 50 Cb 0.57 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2dlr h ALA 50 CO -0.03 -0.50 -0.39 0.00 0.00 0.00 0.00 179.25 178.33 2dlr h GLU 52 N -0.32 -0.56 -1.06 0.00 4.39 -1.01 -3.03 114.58 112.99 2dlr h GLU 52 Ca 0.14 0.04 0.41 0.00 0.34 0.00 0.00 59.36 60.29 2dlr h GLU 52 Cb 0.57 0.13 -0.17 0.00 -0.10 0.00 0.00 28.75 29.18 2dlr h GLU 52 CO -0.55 -0.37 0.60 -0.44 -1.16 0.00 0.00 179.01 177.09 2dlr h ASP 53 N -0.80 0.33 0.61 1.42 5.19 -1.05 0.83 116.42 122.96 2dlr h ASP 53 Ca -0.06 0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 2dlr h ASP 53 Cb 0.45 0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 2dlr h ASP 53 CO 0.10 -0.36 -0.38 0.15 -3.12 0.00 0.00 179.24 175.64 2dlr h PHE 54 N 0.06 -1.00 -0.64 4.55 3.57 -0.19 -1.18 116.94 122.10 2dlr h PHE 54 Ca 0.83 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.42 2dlr h PHE 54 Cb 2.25 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 41.30 2dlr h PHE 54 CO -0.01 -0.56 0.43 1.57 -2.23 0.00 0.00 178.31 177.51 2dlr h LYS 55 N -0.93 0.48 -0.44 1.11 2.10 -0.81 -1.64 116.57 116.44 2dlr h LYS 55 Ca -0.08 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2dlr h LYS 55 Cb 0.74 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 2dlr h LYS 55 CO 0.08 0.32 0.27 0.87 -2.00 0.00 0.00 179.45 178.99 2dlr h LYS 56 N 0.49 0.60 -0.72 0.07 1.57 -0.69 -2.74 116.57 115.15 2dlr h LYS 56 Ca 0.30 -0.05 0.29 0.00 -1.87 0.00 0.00 60.65 59.31 2dlr h LYS 56 Cb 0.51 -0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.56 2dlr h LYS 56 CO -0.09 0.44 0.33 -1.33 -0.57 0.00 0.00 179.45 178.23 2dlr n MET 57 N -4.74 -0.05 -3.84 3.15 2.81 -0.48 -4.73 117.12 109.25 2dlr n MET 57 Ca 0.01 1.01 -0.29 0.00 -1.81 0.00 0.00 57.70 56.62 2dlr n MET 57 Cb 0.05 -1.78 0.04 0.00 -0.71 0.00 0.00 33.22 30.82 2dlr n MET 57 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2dlr n GLN 58 N -4.68 -6.02 -3.75 0.03 6.02 -1.04 -4.97 117.38 102.96 2dlr n GLN 58 Ca 0.26 0.65 -0.15 0.00 -0.01 0.00 0.00 57.00 57.75 2dlr n GLN 58 Cb 0.87 -5.56 -0.15 0.00 1.02 0.00 0.00 30.24 26.41 2dlr n GLN 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dlr s ASP 59 N -3.35 0.08 0.03 1.08 1.01 -1.26 -5.07 116.67 109.19 2dlr s ASP 59 Ca 0.62 0.16 -0.28 0.00 0.71 0.00 0.00 52.55 53.77 2dlr s ASP 59 Cb -0.31 0.05 -0.16 0.00 1.01 0.00 0.00 42.92 43.52 2dlr s ASP 59 CO 0.81 -0.15 1.26 0.50 0.21 0.00 0.00 175.17 177.80 2dlr h LYS 60 N 7.39 -0.98 -0.17 8.23 3.64 -1.98 -1.41 116.57 131.29 2dlr h LYS 60 Ca -0.41 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 2dlr h LYS 60 Cb 1.13 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 2dlr h LYS 60 CO 0.42 -0.65 -0.44 1.15 -2.27 0.00 0.00 179.45 177.66 2dlr h THR 61 N -1.15 0.00 -0.98 1.00 2.02 -1.99 0.37 112.91 112.17 2dlr h THR 61 Ca -0.10 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.30 2dlr h THR 61 Cb 0.78 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.07 2dlr h THR 61 CO 0.17 0.00 0.56 1.56 0.37 0.00 0.00 175.52 178.18 2dlr h GLN 62 N -0.43 0.57 -0.45 6.66 4.20 -2.00 0.99 115.11 124.66 2dlr h GLN 62 Ca 0.03 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2dlr h GLN 62 Cb 0.53 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2dlr h GLN 62 CO -0.39 0.38 -0.04 0.52 -0.67 0.00 0.00 178.83 178.63 2dlr h MET 63 N 0.59 0.82 -1.01 1.46 2.86 0.09 -1.85 114.93 117.89 2dlr h MET 63 Ca 0.61 -0.28 0.24 0.00 -2.06 0.00 0.00 59.70 58.21 2dlr h MET 63 Cb 1.11 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.60 2dlr h MET 63 CO -0.46 0.90 0.62 1.96 1.06 0.00 0.00 176.91 180.99 2dlr h GLN 64 N 0.66 0.53 0.00 1.72 4.20 0.23 0.31 115.11 122.77 2dlr h GLN 64 Ca 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2dlr h GLN 64 Cb 0.56 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2dlr h GLN 64 CO 0.03 0.35 -0.02 0.93 -0.67 0.00 0.00 178.83 179.46 2dlr h GLU 65 N 0.55 0.00 -0.99 1.46 5.08 -1.31 -3.37 114.58 116.00 2dlr h GLU 65 Ca 0.61 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 59.33 2dlr h GLU 65 Cb 1.25 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.33 2dlr h GLU 65 CO -0.38 0.00 0.44 -0.22 -1.00 0.00 0.00 179.01 177.85 2dlr h LYS 66 N -0.25 0.07 -0.26 2.33 1.63 -1.23 -1.16 116.57 117.70 2dlr h LYS 66 Ca 0.00 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2dlr h LYS 66 Cb 0.02 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2dlr h LYS 66 CO 0.00 0.05 -0.17 0.00 -3.45 0.00 0.00 179.45 175.87 2dlr h ALA 67 N 1.96 -0.22 -0.45 5.00 0.00 -0.52 0.16 119.26 125.18 2dlr h ALA 67 Ca 0.77 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.66 2dlr h ALA 67 Cb 1.91 1.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.73 2dlr h ALA 67 CO -0.76 -0.34 0.07 1.57 0.00 0.00 0.00 179.25 179.80 2dlr h LYS 68 N -0.03 0.69 0.09 0.00 2.10 -1.40 -2.66 116.57 115.36 2dlr h LYS 68 Ca 0.04 -0.14 0.01 0.00 -2.00 0.00 0.00 60.65 58.56 2dlr h LYS 68 Cb 0.13 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 2dlr h LYS 68 CO -0.26 0.66 -0.44 0.93 -2.00 0.00 0.00 179.45 178.34 2dlr h GLU 69 N 0.66 -0.60 -0.94 0.07 5.08 -0.18 0.10 114.58 118.78 2dlr h GLU 69 Ca 0.15 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2dlr h GLU 69 Cb 0.30 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2dlr h GLU 69 CO 0.00 -0.40 0.61 0.82 -1.00 0.00 0.00 179.01 179.04 2dlr h ILE 70 N -0.62 1.11 -0.12 3.13 2.04 -0.76 -2.30 117.51 120.00 2dlr h ILE 70 Ca -0.00 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2dlr h ILE 70 Cb 0.63 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2dlr h ILE 70 CO -0.25 0.21 -0.10 0.22 0.00 0.00 0.00 178.15 178.23 2dlr h TYR 71 N 1.14 -0.24 0.00 1.37 5.03 -1.01 0.87 116.97 124.12 2dlr h TYR 71 Ca 0.39 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.72 2dlr h TYR 71 Cb 0.09 0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.49 2dlr h TYR 71 CO -0.01 -0.15 0.00 -1.33 -1.32 0.00 0.00 178.16 175.35 2dlr n MET 72 N -5.24 0.20 -0.03 1.82 2.81 0.29 -0.23 117.12 116.75 2dlr n MET 72 Ca -0.03 0.15 -0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2dlr n MET 72 Cb 0.16 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2dlr n MET 72 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dlr h THR 73 N 0.00 0.00 0.00 2.03 2.02 -0.28 -3.41 112.91 113.26 2dlr h THR 73 Ca 0.00 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2dlr h THR 73 Cb 0.13 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2dlr h THR 73 CO 0.00 0.00 -1.14 0.49 0.37 0.00 0.00 175.52 175.24 2dlr n PHE 74 N -3.94 0.00 0.91 3.16 3.72 -1.07 -4.60 117.46 115.63 2dlr n PHE 74 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2dlr n PHE 74 Cb 0.01 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 2dlr n PHE 74 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2dlr n LEU 75 N -2.12 0.61 -4.83 4.37 4.77 0.68 -4.77 117.00 115.71 2dlr n LEU 75 Ca -0.03 -0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 55.43 2dlr n LEU 75 Cb 0.57 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2dlr n LEU 75 CO 0.04 0.15 -0.10 -0.55 -1.33 0.00 0.00 177.39 175.60 2dlr s SER 76 N -0.44 5.14 -0.14 -1.43 0.15 -0.65 -4.75 113.70 111.58 2dlr s SER 76 Ca 0.00 -0.57 -0.22 0.00 0.70 0.00 0.00 55.95 55.85 2dlr s SER 76 Cb 0.00 -0.90 -0.20 0.00 -1.71 0.00 0.00 66.02 63.21 2dlr s SER 76 CO 0.00 -0.36 0.57 0.77 1.20 0.00 0.00 173.24 175.43 2dlr h SER 77 N 1.31 0.00 -0.02 5.45 4.64 -1.92 -3.29 113.55 119.72 2dlr h SER 77 Ca -0.44 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.12 2dlr h SER 77 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dlr h SER 77 CO 0.59 0.92 0.00 1.17 -0.87 0.00 0.00 176.83 178.64 2dlr n LYS 78 N -4.64 1.10 -1.59 4.77 3.00 -1.26 -4.86 118.16 114.68 2dlr n LYS 78 Ca -0.09 -0.09 -0.44 0.00 -0.00 0.00 0.00 58.31 57.70 2dlr n LYS 78 Cb 0.39 -1.42 -0.03 0.00 0.00 0.00 0.00 35.03 33.97 2dlr n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dlr n ALA 79 N -0.08 1.69 -0.20 3.14 0.00 -1.24 -4.82 120.51 119.00 2dlr n ALA 79 Ca 0.01 -0.19 0.20 0.00 0.00 0.00 0.00 53.44 53.46 2dlr n ALA 79 Cb 0.22 -2.86 0.57 0.00 0.00 0.00 0.00 19.45 17.38 2dlr n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dlr h SER 80 N 14.37 0.29 -3.53 0.00 4.64 -1.89 -3.33 113.55 124.10 2dlr h SER 80 Ca -0.41 0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.32 2dlr h SER 80 Cb 1.25 -0.03 -0.39 0.00 -0.31 0.00 0.00 62.40 62.92 2dlr h SER 80 CO 0.96 0.12 -0.76 -0.44 -0.87 0.00 0.00 176.83 175.85 2dlr s SER 81 N -5.73 4.18 0.06 4.97 0.01 -1.26 -5.11 113.70 110.81 2dlr s SER 81 Ca -0.07 -1.59 0.05 0.00 1.31 0.00 0.00 55.95 55.64 2dlr s SER 81 Cb 0.22 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 2dlr s SER 81 CO 0.77 -0.33 -0.05 -1.10 0.41 0.00 0.00 173.24 172.95 2dlr s GLN 82 N 1.30 2.47 0.34 12.44 -0.21 -1.25 -4.50 119.66 130.25 2dlr s GLN 82 Ca 0.03 -0.83 0.07 0.00 0.02 0.00 0.00 55.36 54.66 2dlr s GLN 82 Cb -0.18 -2.48 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 2dlr s GLN 82 CO -0.12 0.56 0.34 0.14 -2.12 0.00 0.00 175.29 174.09 2dlr s VAL 83 N -1.17 3.58 -0.07 1.09 -7.23 -1.26 -5.00 120.40 110.34 2dlr s VAL 83 Ca 0.21 -1.28 -0.24 0.00 -1.81 0.00 0.00 61.98 58.86 2dlr s VAL 83 Cb -0.11 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 2dlr s VAL 83 CO 0.13 -0.16 0.75 0.54 -0.31 0.00 0.00 175.10 176.05 2dlr s ASN 84 N -4.05 7.03 0.22 4.85 4.22 -1.26 -5.05 114.94 120.90 2dlr s ASN 84 Ca 0.42 1.24 -0.04 0.00 -2.14 0.00 0.00 52.86 52.34 2dlr s ASN 84 Cb -0.06 -2.43 -0.03 0.00 1.28 0.00 0.00 41.25 40.00 2dlr s ASN 84 CO 0.28 -0.16 0.24 0.68 -2.04 0.00 0.00 177.10 176.09 2dlr s VAL 85 N 0.97 0.00 -0.10 3.54 -7.23 -1.26 -4.84 120.40 111.48 2dlr s VAL 85 Ca 0.39 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2dlr s VAL 85 Cb -0.18 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 2dlr s VAL 85 CO 0.19 0.00 -0.05 -1.84 -0.31 0.00 0.00 175.10 173.08 2dlr n GLU 86 N -0.31 1.08 -2.72 4.82 0.28 -1.26 -4.83 120.64 117.70 2dlr n GLU 86 Ca 0.01 0.04 -0.05 0.00 -0.16 0.00 0.00 57.16 57.00 2dlr n GLU 86 Cb 0.65 -1.22 0.06 0.00 1.43 0.00 0.00 31.44 32.36 2dlr n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dlr n GLY 87 N 2.80 1.62 0.05 -1.84 0.00 -1.26 -4.96 105.19 101.60 2dlr n GLY 87 Ca -0.18 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.90 2dlr n GLY 87 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dlr n GLN 88 N -0.47 0.33 -0.56 1.61 0.00 -1.26 -4.37 117.38 112.66 2dlr n GLN 88 Ca 0.03 0.25 0.43 0.00 -0.00 0.00 0.00 57.00 57.72 2dlr n GLN 88 Cb 0.83 -1.21 0.67 0.00 0.00 0.00 0.00 30.24 30.52 2dlr n GLN 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dlr n SER 89 N -3.78 0.04 -0.44 1.69 2.88 -1.26 -0.24 113.62 112.51 2dlr n SER 89 Ca -0.07 0.92 0.36 0.00 -1.33 0.00 0.00 58.87 58.75 2dlr n SER 89 Cb 0.27 -0.46 0.60 0.00 -0.75 0.00 0.00 64.21 63.88 2dlr n SER 89 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dlr n ARG 90 N -3.80 -0.03 -0.43 -1.46 1.74 -1.26 -4.40 116.66 107.03 2dlr n ARG 90 Ca 0.37 1.05 -0.29 0.00 -0.77 0.00 0.00 57.85 58.20 2dlr n ARG 90 Cb 1.62 -2.12 0.28 0.00 -1.02 0.00 0.00 32.46 31.22 2dlr n ARG 90 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2dlr s LEU 91 N -8.54 -0.37 0.12 0.55 0.05 0.67 -5.07 118.68 106.08 2dlr s LEU 91 Ca -0.06 1.13 -0.26 0.00 0.05 0.00 0.00 54.13 55.00 2dlr s LEU 91 Cb 0.26 -2.75 0.07 0.00 -2.05 0.00 0.00 46.19 41.72 2dlr s LEU 91 CO 0.71 -4.94 0.90 0.21 -0.55 0.00 0.00 176.35 172.68 2dlr s ASN 92 N -2.84 -0.26 0.27 1.48 2.47 -1.26 -5.00 114.94 109.79 2dlr s ASN 92 Ca 0.69 -0.27 0.18 0.00 0.42 0.00 0.00 52.86 53.88 2dlr s ASN 92 Cb -0.19 0.48 0.94 0.00 -1.45 0.00 0.00 41.25 41.04 2dlr s ASN 92 CO 0.61 -0.86 1.02 -0.62 -3.72 0.00 0.00 177.10 173.54 2dlr n GLU 93 N -0.40 -0.03 -0.13 0.43 1.02 -1.26 0.20 120.64 120.47 2dlr n GLU 93 Ca -0.07 0.85 -0.04 0.00 -0.02 0.00 0.00 57.16 57.88 2dlr n GLU 93 Cb 0.61 -1.62 0.04 0.00 -0.02 0.00 0.00 31.44 30.45 2dlr n GLU 93 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2dlr h LYS 94 N 0.00 0.11 -0.50 3.49 1.79 -2.01 0.64 116.57 120.09 2dlr h LYS 94 Ca 0.57 -0.01 0.15 0.00 -2.18 0.00 0.00 60.65 59.18 2dlr h LYS 94 Cb 1.71 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.31 2dlr h LYS 94 CO -0.38 0.07 0.87 0.97 -1.08 0.00 0.00 179.45 179.90 2dlr h ILE 95 N 0.12 0.08 0.07 1.86 2.10 0.19 1.40 117.51 123.32 2dlr h ILE 95 Ca 0.21 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.91 2dlr h ILE 95 Cb 0.31 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.29 2dlr h ILE 95 CO -0.35 0.00 -1.09 -0.07 -1.08 0.00 0.00 178.15 175.56 2dlr h LEU 96 N 0.00 0.47 -0.36 2.19 3.38 -0.96 -3.36 115.31 116.67 2dlr h LEU 96 Ca 0.24 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2dlr h LEU 96 Cb 1.97 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 2dlr h LEU 96 CO -0.00 1.28 -0.21 -0.62 0.09 0.00 0.00 178.44 178.98 2dlr n GLU 97 N -3.64 -0.16 -3.82 1.13 1.02 0.48 -3.33 120.64 112.32 2dlr n GLU 97 Ca -0.08 0.79 -0.36 0.00 -0.02 0.00 0.00 57.16 57.50 2dlr n GLU 97 Cb 0.93 -1.16 -0.12 0.00 -0.02 0.00 0.00 31.44 31.06 2dlr n GLU 97 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dlr s GLU 98 N -4.37 2.05 0.18 3.49 2.02 -1.26 -5.09 118.70 115.72 2dlr s GLU 98 Ca -0.04 -1.71 -0.30 0.00 0.02 0.00 0.00 54.97 52.93 2dlr s GLU 98 Cb 0.04 -3.48 -0.08 0.00 0.10 0.00 0.00 34.13 30.70 2dlr s GLU 98 CO 0.22 -0.97 1.31 -1.25 0.02 0.00 0.00 175.26 174.59 2dlr s PRO 99 N 1.15 4.38 -0.04 0.39 0.04 -1.21 -5.00 135.00 134.70 2dlr s PRO 99 Ca 0.06 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 2dlr s PRO 99 Cb -0.22 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.15 2dlr s PRO 99 CO -0.04 -0.28 0.43 -3.38 0.04 0.00 0.00 177.00 173.78 2dlr s HIS 100 N 0.29 -0.36 -1.05 0.56 -3.43 -1.26 -4.99 115.29 105.05 2dlr s HIS 100 Ca 0.58 0.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.47 2dlr s HIS 100 Cb -0.36 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2dlr s HIS 100 CO 0.37 -0.43 0.26 -0.35 -2.00 0.00 0.00 174.74 172.58 2dlr n PRO 101 N 1.36 0.49 -0.02 -0.38 -0.04 -1.26 -2.20 135.00 132.95 2dlr n PRO 101 Ca -0.20 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.24 2dlr n PRO 101 Cb 0.56 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 2dlr n PRO 101 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dlr n LEU 102 N 0.22 0.00 -0.31 1.53 4.77 -1.26 -3.94 117.00 118.00 2dlr n LEU 102 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.15 2dlr n LEU 102 Cb 0.12 0.10 0.35 0.00 -2.33 0.00 0.00 43.42 41.66 2dlr n LEU 102 CO 0.00 0.10 0.99 0.00 -1.33 0.00 0.00 177.39 177.15 2dlr h MET 103 N 0.00 0.23 0.00 3.23 -0.00 -1.84 -1.70 114.93 114.85 2dlr h MET 103 Ca -0.11 -0.01 -0.33 0.00 -0.00 0.00 0.00 59.70 59.24 2dlr h MET 103 Cb 1.17 -0.05 -0.06 0.00 -0.00 0.00 0.00 31.60 32.66 2dlr h MET 103 CO 0.01 0.15 -2.31 1.19 -0.00 0.00 0.00 176.91 175.94 2dlr n PHE 104 N -5.18 0.00 -0.20 -0.10 3.72 -1.26 -4.45 117.46 109.98 2dlr n PHE 104 Ca 0.25 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.78 2dlr n PHE 104 Cb 0.79 -0.93 0.24 0.00 -0.94 0.00 0.00 39.48 38.64 2dlr n PHE 104 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2dlr n GLN 105 N -2.69 -0.04 -0.04 -1.08 7.27 -0.64 0.15 117.38 120.30 2dlr n GLN 105 Ca -0.30 0.87 -0.14 0.00 0.07 0.00 0.00 57.00 57.50 2dlr n GLN 105 Cb 1.10 -1.45 -0.12 0.00 2.41 0.00 0.00 30.24 32.18 2dlr n GLN 105 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2dlr h LYS 106 N 0.00 0.02 -0.70 3.69 6.56 -1.78 -3.21 116.57 121.15 2dlr h LYS 106 Ca 0.42 -0.02 0.13 0.00 -1.06 0.00 0.00 60.65 60.12 2dlr h LYS 106 Cb 0.97 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.59 2dlr h LYS 106 CO -0.53 0.78 0.47 -0.07 -2.06 0.00 0.00 179.45 178.05 2dlr h LEU 107 N -0.74 0.38 -1.38 2.94 3.38 0.12 0.11 115.31 120.13 2dlr h LEU 107 Ca -0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2dlr h LEU 107 Cb 0.79 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dlr h LEU 107 CO 0.01 0.21 -0.24 -0.61 0.09 0.00 0.00 178.44 177.90 2dlr h GLN 108 N 0.42 0.11 0.30 1.13 4.15 -0.11 -2.94 115.11 118.16 2dlr h GLN 108 Ca 0.34 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 2dlr h GLN 108 Cb 0.74 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.42 2dlr h GLN 108 CO -0.10 0.34 -0.14 0.22 -1.93 0.00 0.00 178.83 177.22 2dlr h ASP 109 N 0.10 -0.34 -0.66 -0.69 3.58 -0.77 0.54 116.42 118.18 2dlr h ASP 109 Ca 0.02 0.01 0.13 0.00 0.42 0.00 0.00 57.03 57.61 2dlr h ASP 109 Cb 0.48 0.09 -0.13 0.00 1.72 0.00 0.00 39.33 41.49 2dlr h ASP 109 CO 0.03 -0.24 -0.22 0.06 -2.88 0.00 0.00 179.24 176.00 2dlr h GLN 110 N -0.40 -0.05 -0.76 0.28 3.07 -1.58 0.14 115.11 115.82 2dlr h GLN 110 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.68 2dlr h GLN 110 Cb 0.30 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.84 2dlr h GLN 110 CO 0.07 -0.03 0.40 0.82 0.09 0.00 0.00 178.83 180.18 2dlr h ILE 111 N -0.05 1.24 0.52 1.86 1.08 -1.50 -0.49 117.51 120.17 2dlr h ILE 111 Ca 0.30 -0.62 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2dlr h ILE 111 Cb 0.52 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2dlr h ILE 111 CO -0.70 0.27 -0.37 0.15 -0.69 0.00 0.00 178.15 176.81 2dlr h PHE 112 N 1.06 -0.99 -0.72 1.37 3.57 0.27 -2.81 116.94 118.70 2dlr h PHE 112 Ca 0.27 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2dlr h PHE 112 Cb 0.07 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 2dlr h PHE 112 CO 0.00 -0.53 0.40 -0.91 -2.23 0.00 0.00 178.31 175.04 2dlr h ASN 113 N -0.84 0.57 0.00 0.41 2.35 -1.09 -2.52 115.58 114.46 2dlr h ASN 113 Ca -0.07 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2dlr h ASN 113 Cb 0.69 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2dlr h ASN 113 CO 0.04 0.35 0.00 -0.11 -1.65 0.00 0.00 177.43 176.06 2dlr n LEU 114 N -4.79 0.00 -0.11 1.61 7.94 -0.20 -0.02 117.00 121.44 2dlr n LEU 114 Ca 0.10 0.88 0.25 0.00 -1.11 0.00 0.00 56.01 56.13 2dlr n LEU 114 Cb 0.22 -0.38 0.71 0.00 0.53 0.00 0.00 43.42 44.50 2dlr n LEU 114 CO 0.28 -0.38 1.23 0.24 -1.11 0.00 0.00 177.39 177.65 2dlr h MET 115 N 0.00 0.00 -0.69 1.96 2.86 -1.45 0.60 114.93 118.22 2dlr h MET 115 Ca 0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 2dlr h MET 115 Cb 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 2dlr h MET 115 CO 0.00 0.00 -0.01 -0.22 1.06 0.00 0.00 176.91 177.74 2dlr h LYS 116 N 0.00 0.10 -0.07 1.72 3.64 0.01 0.38 116.57 122.36 2dlr h LYS 116 Ca 0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2dlr h LYS 116 Cb 1.43 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2dlr h LYS 116 CO -0.00 0.07 0.00 2.48 -2.27 0.00 0.00 179.45 179.72 2dlr n TYR 117 N -5.32 0.09 -0.05 1.91 4.11 -0.53 -3.86 117.16 113.51 2dlr n TYR 117 Ca 0.11 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.90 57.77 2dlr n TYR 117 Cb 0.41 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.72 2dlr n TYR 117 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2dlr n ASP 118 N 0.19 1.20 -0.07 9.48 2.03 0.20 -4.68 116.55 124.90 2dlr n ASP 118 Ca 0.04 0.27 -0.06 0.00 0.52 0.00 0.00 54.79 55.55 2dlr n ASP 118 Cb 0.21 -0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 39.92 2dlr n ASP 118 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2dlr n SER 119 N -3.74 1.52 -0.33 1.67 7.64 -0.41 -4.36 113.62 115.62 2dlr n SER 119 Ca -0.08 0.33 0.27 0.00 1.01 0.00 0.00 58.87 60.41 2dlr n SER 119 Cb 0.29 -0.72 0.45 0.00 -1.01 0.00 0.00 64.21 63.23 2dlr n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dlr n TYR 120 N -4.08 0.41 0.43 1.43 9.36 0.12 0.71 117.16 125.54 2dlr n TYR 120 Ca -0.10 0.41 -0.17 0.00 3.32 0.00 0.00 57.90 61.37 2dlr n TYR 120 Cb 0.37 -0.80 -0.08 0.00 -0.63 0.00 0.00 39.34 38.20 2dlr n TYR 120 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2dlr h SER 121 N 0.00 -0.92 0.30 2.98 0.87 -1.71 -2.61 113.55 112.46 2dlr h SER 121 Ca 0.58 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 61.08 2dlr h SER 121 Cb 1.92 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 64.10 2dlr h SER 121 CO -0.27 -0.65 -0.38 0.08 -0.53 0.00 0.00 176.83 175.08 2dlr h ARG 122 N -1.12 0.13 -0.78 2.24 0.11 0.08 -2.85 114.38 112.20 2dlr h ARG 122 Ca -0.11 -0.05 0.13 0.00 0.10 0.00 0.00 59.98 60.04 2dlr h ARG 122 Cb 0.84 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.86 2dlr h ARG 122 CO 0.18 0.50 0.51 0.35 0.10 0.00 0.00 179.97 181.61 2dlr h PHE 123 N 0.11 0.64 0.18 4.08 3.57 -0.51 0.28 116.94 125.29 2dlr h PHE 123 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2dlr h PHE 123 Cb 0.73 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2dlr h PHE 123 CO 0.01 0.26 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.19 2dlr h LEU 124 N 0.56 -0.20 -1.48 0.59 3.38 -1.22 -3.27 115.31 113.67 2dlr h LEU 124 Ca 0.38 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2dlr h LEU 124 Cb 0.68 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2dlr h LEU 124 CO -0.14 0.35 0.44 0.07 0.09 0.00 0.00 178.44 179.24 2dlr h LYS 125 N -0.91 0.60 -6.88 1.13 2.10 -1.45 -3.36 116.57 107.80 2dlr h LYS 125 Ca -0.02 -0.04 -0.50 0.00 -2.00 0.00 0.00 60.65 58.09 2dlr h LYS 125 Cb 0.50 -0.13 0.22 0.00 -0.90 0.00 0.00 32.23 31.91 2dlr h LYS 125 CO 0.04 0.39 -0.49 -1.13 -2.00 0.00 0.00 179.45 176.26 2dlr n SER 126 N -4.48 -1.69 0.04 7.07 3.41 0.96 -4.82 113.62 114.11 2dlr n SER 126 Ca 0.10 0.19 -0.20 0.00 -0.26 0.00 0.00 58.87 58.70 2dlr n SER 126 Cb 0.27 -1.20 -0.11 0.00 -0.26 0.00 0.00 64.21 62.91 2dlr n SER 126 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2dlr h ASP 127 N -1.86 0.81 -0.93 4.04 5.19 -1.86 -3.01 116.42 118.81 2dlr h ASP 127 Ca -0.48 -0.76 0.33 0.00 -0.62 0.00 0.00 57.03 55.50 2dlr h ASP 127 Cb 1.30 -0.25 -0.10 0.00 0.18 0.00 0.00 39.33 40.46 2dlr h ASP 127 CO 0.38 1.47 0.58 -0.11 -3.12 0.00 0.00 179.24 178.44 2dlr n LEU 128 N -3.94 0.17 -0.05 1.55 7.94 -1.26 0.36 117.00 121.77 2dlr n LEU 128 Ca -0.11 1.01 -0.04 0.00 -1.11 0.00 0.00 56.01 55.76 2dlr n LEU 128 Cb 0.85 -0.50 -0.01 0.00 0.53 0.00 0.00 43.42 44.29 2dlr n LEU 128 CO 0.54 -1.11 -0.31 0.33 -1.11 0.00 0.00 177.39 175.73 2dlr n PHE 129 N -4.18 0.22 -0.35 1.96 7.35 -1.24 -4.52 117.46 116.70 2dlr n PHE 129 Ca 0.28 0.09 0.04 0.00 -0.76 0.00 0.00 57.45 57.10 2dlr n PHE 129 Cb 1.07 -0.39 0.11 0.00 0.35 0.00 0.00 39.48 40.62 2dlr n PHE 129 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dlr h LEU 130 N -0.57 -1.02 -0.70 -2.13 3.38 -1.18 -0.14 115.31 112.95 2dlr h LEU 130 Ca 0.00 0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2dlr h LEU 130 Cb 0.46 0.63 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 2dlr h LEU 130 CO 0.00 -0.31 -0.38 1.17 0.09 0.00 0.00 178.44 179.00 2dlr n LYS 131 N -5.58 -0.28 0.23 1.13 3.00 0.16 -0.66 118.16 116.16 2dlr n LYS 131 Ca 0.14 1.06 -0.14 0.00 -0.00 0.00 0.00 58.31 59.37 2dlr n LYS 131 Cb 0.46 -1.56 -0.08 0.00 0.00 0.00 0.00 35.03 33.85 2dlr n LYS 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2dlr h HIS 132 N 0.00 -0.55 -1.11 5.64 2.76 -1.25 -3.01 115.15 117.64 2dlr h HIS 132 Ca 0.14 -0.01 0.39 0.00 -2.20 0.00 0.00 60.37 58.68 2dlr h HIS 132 Cb 0.31 0.18 -0.12 0.00 1.55 0.00 0.00 27.41 29.34 2dlr h HIS 132 CO -0.70 -0.23 0.70 1.17 -1.30 0.00 0.00 177.93 177.57 2dlr n LYS 133 N -5.24 -0.03 -0.24 5.26 4.81 0.17 0.07 118.16 122.96 2dlr n LYS 133 Ca -0.10 1.04 -0.08 0.00 -0.87 0.00 0.00 58.31 58.30 2dlr n LYS 133 Cb 0.30 -2.03 -0.03 0.00 0.02 0.00 0.00 35.03 33.29 2dlr n LYS 133 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dlr h ARG 134 N 0.00 -0.18 -1.11 1.64 2.47 -0.92 0.36 114.38 116.64 2dlr h ARG 134 Ca 0.72 0.01 0.37 0.00 -1.26 0.00 0.00 59.98 59.83 2dlr h ARG 134 Cb 2.29 0.04 -0.14 0.00 -1.65 0.00 0.00 29.97 30.50 2dlr h ARG 134 CO -0.40 -0.12 0.66 0.00 0.56 0.00 0.00 179.97 180.67 2dlr h THR 135 N -0.19 0.20 -3.73 2.04 1.03 -0.55 -3.40 112.91 108.32 2dlr h THR 135 Ca 0.20 -0.06 -0.46 0.00 -0.01 0.00 0.00 66.41 66.08 2dlr h THR 135 Cb 0.56 -0.01 0.10 0.00 -1.07 0.00 0.00 68.15 67.73 2dlr h THR 135 CO -0.73 0.03 0.27 -1.61 -0.01 0.00 0.00 175.52 173.47 2dlr s GLU 136 N -5.51 1.83 -0.20 0.00 0.41 0.13 -5.10 118.70 110.26 2dlr s GLU 136 Ca -0.09 -0.34 -0.04 0.00 -0.41 0.00 0.00 54.97 54.10 2dlr s GLU 136 Cb 0.30 -2.10 0.10 0.00 -1.78 0.00 0.00 34.13 30.65 2dlr s GLU 136 CO 0.80 -1.52 0.30 -1.21 -0.49 0.00 0.00 175.26 173.14 2dlr s GLU 137 N -5.39 0.25 0.22 1.61 2.02 -1.26 -4.99 118.70 111.16 2dlr s GLU 137 Ca 0.64 0.51 -0.02 0.00 0.02 0.00 0.00 54.97 56.11 2dlr s GLU 137 Cb -0.09 -0.57 -0.05 0.00 0.10 0.00 0.00 34.13 33.53 2dlr s GLU 137 CO 0.47 -0.54 0.44 -1.83 0.02 0.00 0.00 175.26 173.82 2dlr s GLU 138 N 2.45 3.57 0.41 1.61 -1.05 -1.26 -5.11 118.70 119.31 2dlr s GLU 138 Ca 0.07 -0.21 0.08 0.00 -0.15 0.00 0.00 54.97 54.76 2dlr s GLU 138 Cb -0.15 -2.78 -0.02 0.00 -0.44 0.00 0.00 34.13 30.75 2dlr s GLU 138 CO -0.13 0.35 0.38 -1.21 0.95 0.00 0.00 175.26 175.61 2dlr s GLU 139 N -3.32 2.58 -0.02 -4.83 2.02 -1.26 -5.00 118.70 108.87 2dlr s GLU 139 Ca 0.40 -1.48 0.02 0.00 0.02 0.00 0.00 54.97 53.93 2dlr s GLU 139 Cb -0.11 -2.42 0.10 0.00 0.10 0.00 0.00 34.13 31.80 2dlr s GLU 139 CO 0.29 -0.16 0.73 0.39 0.02 0.00 0.00 175.26 176.53 2dlr n GLU 140 N -1.55 1.42 -2.75 1.61 -0.58 -1.26 -4.83 120.64 112.70 2dlr n GLU 140 Ca 0.03 -0.37 -0.18 0.00 -0.42 0.00 0.00 57.16 56.22 2dlr n GLU 140 Cb 0.61 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 2dlr n GLU 140 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2dlr n ASP 141 N 0.01 -4.42 -4.71 1.62 2.03 -1.26 -4.91 116.55 104.91 2dlr n ASP 141 Ca 0.03 -0.05 -0.35 0.00 0.52 0.00 0.00 54.79 54.95 2dlr n ASP 141 Cb 0.31 -3.69 0.10 0.00 -0.72 0.00 0.00 41.12 37.12 2dlr n ASP 141 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dlr s LEU 142 N -6.04 3.32 0.00 -2.67 1.02 -1.26 -4.84 118.68 108.20 2dlr s LEU 142 Ca 0.15 2.44 0.00 0.00 0.02 0.00 0.00 54.13 56.74 2dlr s LEU 142 Cb -0.07 -4.60 0.00 0.00 0.02 0.00 0.00 46.19 41.54 2dlr s LEU 142 CO 0.18 -2.37 0.45 -0.81 0.02 0.00 0.00 176.35 173.83 2dlr n PRO 143 N -2.73 0.49 -0.03 1.29 -0.04 -1.26 -3.36 135.00 129.36 2dlr n PRO 143 Ca 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2dlr n PRO 143 Cb 0.50 -1.04 -0.09 0.00 -0.04 0.00 0.00 33.50 32.84 2dlr n PRO 143 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dlr h SER 144 N 0.07 -0.05 -3.73 3.54 0.02 -2.01 -3.46 113.55 107.94 2dlr h SER 144 Ca 0.00 -0.57 -0.49 0.00 -0.84 0.00 0.00 61.79 59.89 2dlr h SER 144 Cb 0.04 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2dlr h SER 144 CO 0.00 0.68 0.11 -0.83 -1.14 0.00 0.00 176.83 175.65 2dlr s GLY 145 N -3.74 2.21 0.22 -3.77 0.00 -1.21 -5.04 107.32 95.98 2dlr s GLY 145 Ca -0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.26 2dlr s GLY 145 CO 0.48 0.17 1.29 2.56 0.00 0.00 0.00 173.10 177.60 2dlr s PRO 146 N -3.28 4.40 -0.09 2.90 0.04 -1.26 -4.96 135.00 132.77 2dlr s PRO 146 Ca 0.53 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.66 2dlr s PRO 146 Cb -0.10 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2dlr s PRO 146 CO 0.22 -0.21 -0.20 0.45 0.04 0.00 0.00 177.00 177.30 2dlr s SER 147 N 0.16 2.65 -0.01 6.66 0.15 -1.26 -5.03 113.70 117.02 2dlr s SER 147 Ca 0.55 -0.47 -0.22 0.00 0.70 0.00 0.00 55.95 56.50 2dlr s SER 147 Cb -0.36 -1.18 -0.19 0.00 -1.71 0.00 0.00 66.02 62.58 2dlr s SER 147 CO 0.40 0.12 1.19 -1.28 1.20 0.00 0.00 173.24 174.87 2dlr h SER 148 N 6.74 0.30 0.00 5.45 0.87 -2.06 -3.56 113.55 121.29 2dlr h SER 148 Ca -0.24 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 2dlr h SER 148 Cb 1.22 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2dlr h SER 148 CO 0.47 0.87 0.00 0.61 -0.53 0.00 0.00 176.83 178.25