#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mob n ASN 36 N 0.00 0.00 -3.76 4.04 3.02 -1.26 -4.82 115.26 112.49 2mob n ASN 36 Ca 0.00 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.04 2mob n ASN 36 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2mob n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2mob n ALA 37 N 0.58 -2.57 -2.60 5.41 0.00 -1.26 -4.58 120.51 115.49 2mob n ALA 37 Ca 0.00 0.47 -0.21 0.00 0.00 0.00 0.00 53.44 53.70 2mob n ALA 37 Cb 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 19.45 17.82 2mob n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2mob s VAL 38 N 0.66 1.05 -0.14 0.00 1.01 -0.76 -4.98 120.40 117.25 2mob s VAL 38 Ca 0.78 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2mob s VAL 38 Cb -1.10 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2mob s VAL 38 CO 0.52 0.22 -0.02 0.54 0.00 0.00 0.00 175.10 176.37 2mob s VAL 39 N -0.44 4.10 -0.03 2.92 0.11 -1.26 -0.92 120.40 124.88 2mob s VAL 39 Ca 0.04 -0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 2mob s VAL 39 Cb -0.06 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 2mob s VAL 39 CO -0.00 0.52 0.05 -0.22 -3.33 0.00 0.00 175.10 172.12 2mob s LEU 40 N -0.03 3.78 -0.02 2.54 2.96 0.39 -4.52 118.68 123.77 2mob s LEU 40 Ca 0.02 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2mob s LEU 40 Cb -0.13 -2.09 0.03 0.00 0.50 0.00 0.00 46.19 44.50 2mob s LEU 40 CO 0.02 0.31 0.03 -0.69 -1.32 0.00 0.00 176.35 174.70 2mob s VAL 41 N -1.08 -0.05 0.08 1.68 1.01 -1.26 -0.01 120.40 120.78 2mob s VAL 41 Ca 0.19 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2mob s VAL 41 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2mob s VAL 41 CO 0.09 0.10 0.05 0.18 0.00 0.00 0.00 175.10 175.52 2mob n LEU 42 N 4.27 0.00 -4.92 3.92 4.77 0.13 -3.87 117.00 121.30 2mob n LEU 42 Ca -0.26 -0.71 -0.29 0.00 -0.03 0.00 0.00 56.01 54.72 2mob n LEU 42 Cb 0.50 0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 2mob n LEU 42 CO 0.21 -0.11 -0.14 0.00 -1.33 0.00 0.00 177.39 176.02 2mob s MET 43 N -2.33 3.41 -0.88 3.23 0.23 -1.26 -0.28 119.30 121.42 2mob s MET 43 Ca 0.07 -0.52 -0.16 0.00 -1.03 0.00 0.00 55.69 54.06 2mob s MET 43 Cb 0.00 -2.99 -0.25 0.00 -1.53 0.00 0.00 34.83 30.06 2mob s MET 43 CO 0.05 0.57 2.20 1.17 -2.03 0.00 0.00 175.02 176.98 2mob n LYS 44 N -0.03 0.21 0.00 3.16 4.81 -1.26 -4.11 118.16 120.94 2mob n LYS 44 Ca -0.06 -0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 2mob n LYS 44 Cb 0.52 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.46 2mob n LYS 44 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2mob n SER 45 N 10.92 0.00 0.00 3.14 2.88 -1.26 -4.88 113.62 124.41 2mob n SER 45 Ca 0.56 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2mob n SER 45 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2mob n SER 45 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2mob n ASP 46 N -0.06 0.00 -2.06 -3.46 9.92 -1.26 -4.95 116.55 114.68 2mob n ASP 46 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 2mob n ASP 46 Cb 0.00 0.06 0.11 0.00 -0.64 0.00 0.00 41.12 40.65 2mob n ASP 46 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2mob n GLU 47 N -1.30 2.16 0.12 -1.24 1.02 -1.26 -4.71 120.64 115.42 2mob n GLU 47 Ca 0.00 -2.52 -0.09 0.00 -0.02 0.00 0.00 57.16 54.53 2mob n GLU 47 Cb 0.00 -1.99 -0.05 0.00 -0.02 0.00 0.00 31.44 29.38 2mob n GLU 47 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2mob h ILE 48 N 0.89 0.00 -1.10 -3.67 -2.65 -1.96 2.51 117.51 111.53 2mob h ILE 48 Ca 0.50 0.00 0.35 0.00 1.03 0.00 0.00 64.86 66.74 2mob h ILE 48 Cb 1.80 0.00 -0.13 0.00 -2.05 0.00 0.00 36.82 36.44 2mob h ILE 48 CO 1.06 0.00 0.67 0.44 0.03 0.00 0.00 178.15 180.35 2mob h ASP 49 N -0.48 0.42 -0.00 2.16 3.32 -1.96 2.64 116.42 122.51 2mob h ASP 49 Ca -0.02 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2mob h ASP 49 Cb 0.44 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2mob h ASP 49 CO -0.08 -0.12 -0.10 0.00 -1.72 0.00 0.00 179.24 177.22 2mob h ALA 50 N 1.74 0.01 0.04 3.45 0.00 -1.41 -2.51 119.26 120.58 2mob h ALA 50 Ca 0.74 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2mob h ALA 50 Cb 1.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2mob h ALA 50 CO -0.50 -0.03 -0.02 -0.84 0.00 0.00 0.00 179.25 177.87 2mob h ILE 51 N -0.67 1.37 -1.03 0.00 3.07 0.71 -1.49 117.51 119.45 2mob h ILE 51 Ca -0.01 -1.44 0.31 0.00 1.55 0.00 0.00 64.86 65.27 2mob h ILE 51 Cb 0.88 2.30 -0.14 0.00 -0.27 0.00 0.00 36.82 39.59 2mob h ILE 51 CO 0.02 0.36 0.61 0.40 -1.05 0.00 0.00 178.15 178.48 2mob h ILE 52 N -0.70 0.34 0.57 0.16 1.08 0.43 4.73 117.51 124.13 2mob h ILE 52 Ca -0.00 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 2mob h ILE 52 Cb 0.62 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.34 2mob h ILE 52 CO 0.01 0.06 -0.28 -0.08 -0.69 0.00 0.00 178.15 177.18 2mob h GLU 53 N 0.35 -0.74 -0.00 2.37 4.81 -1.23 2.97 114.58 123.11 2mob h GLU 53 Ca 0.72 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 60.00 2mob h GLU 53 Cb 1.66 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.21 2mob h GLU 53 CO -0.54 -0.50 -0.07 -3.47 -0.73 0.00 0.00 179.01 173.71 2mob n ASP 54 N -4.32 0.11 -0.07 1.04 -0.08 -0.17 -1.66 116.55 111.40 2mob n ASP 54 Ca -0.10 0.12 -0.08 0.00 -1.51 0.00 0.00 54.79 53.22 2mob n ASP 54 Cb 0.30 -0.31 -0.09 0.00 2.34 0.00 0.00 41.12 43.36 2mob n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2mob n ILE 55 N -1.38 0.92 -0.01 5.18 0.13 1.53 -4.16 119.36 121.58 2mob n ILE 55 Ca 0.10 -0.49 -0.03 0.00 -1.10 0.00 0.00 62.75 61.24 2mob n ILE 55 Cb 0.30 -0.82 -0.01 0.00 -0.84 0.00 0.00 39.64 38.28 2mob n ILE 55 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 2mob n VAL 56 N -2.67 0.16 -0.17 9.51 0.31 0.74 -2.88 118.33 123.33 2mob n VAL 56 Ca -0.24 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2mob n VAL 56 Cb 0.89 -1.05 0.26 0.00 -0.91 0.00 0.00 33.84 33.03 2mob n VAL 56 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2mob h LEU 57 N -0.05 0.78 0.00 7.52 6.46 0.52 0.45 115.31 130.99 2mob h LEU 57 Ca -0.07 -0.04 -0.41 0.00 -0.12 0.00 0.00 57.88 57.24 2mob h LEU 57 Cb 1.08 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.75 2mob h LEU 57 CO -0.03 0.60 -2.45 1.17 -0.62 0.00 0.00 178.44 177.12 2mob n LYS 58 N -4.40 0.59 0.05 1.25 0.00 -0.67 -3.66 118.16 111.33 2mob n LYS 58 Ca 0.07 0.19 -0.13 0.00 0.00 0.00 0.00 58.31 58.44 2mob n LYS 58 Cb 0.07 -1.47 -0.09 0.00 0.00 0.00 0.00 35.03 33.54 2mob n LYS 58 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2mob h GLY 59 N 0.57 -0.17 0.91 3.14 0.00 -1.58 -3.24 103.07 102.70 2mob h GLY 59 Ca -0.61 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 2mob h GLY 59 CO -0.24 -0.06 -0.16 -1.33 0.00 0.00 0.00 176.54 174.75 2mob h GLY 60 N -0.63 0.66 0.08 4.60 0.00 -0.02 -3.00 103.07 104.76 2mob h GLY 60 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2mob h GLY 60 CO 0.03 0.56 0.00 1.17 0.00 0.00 0.00 176.54 178.29 2mob n LYS 61 N -4.40 0.16 0.12 4.80 4.81 -0.51 -3.40 118.16 119.73 2mob n LYS 61 Ca -0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.30 2mob n LYS 61 Cb 0.39 -1.04 -0.06 0.00 0.02 0.00 0.00 35.03 34.34 2mob n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2mob h ALA 62 N 1.39 -0.90 0.00 3.14 0.00 -1.55 -3.16 119.26 118.18 2mob h ALA 62 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2mob h ALA 62 Cb 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2mob h ALA 62 CO 0.00 -0.96 -1.78 1.63 0.00 0.00 0.00 179.25 178.14 2mob n LYS 63 N -4.32 0.65 -2.11 0.00 5.02 -1.25 -4.90 118.16 111.24 2mob n LYS 63 Ca -0.06 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 2mob n LYS 63 Cb 0.27 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 2mob n LYS 63 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2mob s ASN 64 N -4.89 6.76 0.06 4.39 0.02 -1.20 -4.93 114.94 115.14 2mob s ASN 64 Ca -0.06 2.22 -0.22 0.00 -1.02 0.00 0.00 52.86 53.78 2mob s ASN 64 Cb 0.12 -2.56 -0.13 0.00 0.02 0.00 0.00 41.25 38.70 2mob s ASN 64 CO 0.87 -0.80 1.51 1.55 0.02 0.00 0.00 177.10 180.25 2mob h PRO 65 N 8.26 0.20 -0.78 -0.60 0.13 -1.87 -3.41 132.00 133.93 2mob h PRO 65 Ca -0.39 -0.05 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 2mob h PRO 65 Cb 1.18 -0.02 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 2mob h PRO 65 CO 0.92 0.40 -0.18 -1.12 -0.23 0.00 0.00 178.00 177.80 2mob s SER 66 N -5.65 -1.14 0.31 1.44 0.01 -1.26 -5.07 113.70 102.34 2mob s SER 66 Ca -0.14 0.52 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2mob s SER 66 Cb 0.05 1.88 -0.02 0.00 0.21 0.00 0.00 66.02 68.14 2mob s SER 66 CO 0.70 -0.21 0.43 -0.63 0.41 0.00 0.00 173.24 173.94 2mob s ILE 67 N 2.88 4.39 0.29 1.44 1.09 -1.26 -4.63 121.20 125.40 2mob s ILE 67 Ca 0.14 -1.02 0.11 0.00 -1.10 0.00 0.00 60.65 58.79 2mob s ILE 67 Cb -0.12 -3.53 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 2mob s ILE 67 CO -0.20 -0.21 -0.16 0.54 -0.10 0.00 0.00 174.94 174.81 2mob s VAL 68 N -2.12 2.56 -0.23 2.92 0.11 -0.10 -5.01 120.40 118.53 2mob s VAL 68 Ca 0.42 -2.32 -0.02 0.00 -2.93 0.00 0.00 61.98 57.13 2mob s VAL 68 Cb -0.09 -2.41 0.07 0.00 -1.53 0.00 0.00 36.38 32.42 2mob s VAL 68 CO 0.30 -0.37 0.04 -0.69 -3.33 0.00 0.00 175.10 171.06 2mob s VAL 69 N -2.50 0.69 -0.20 2.04 1.01 -1.26 -2.06 120.40 118.12 2mob s VAL 69 Ca 0.31 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 2mob s VAL 69 Cb -0.04 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2mob s VAL 69 CO 0.16 -0.33 0.40 -1.61 0.00 0.00 0.00 175.10 173.72 2mob s GLU 70 N 1.76 4.17 -0.11 2.72 0.41 0.68 -4.95 118.70 123.38 2mob s GLU 70 Ca 0.01 0.19 -0.02 0.00 -0.41 0.00 0.00 54.97 54.75 2mob s GLU 70 Cb -0.17 -3.54 0.04 0.00 -1.78 0.00 0.00 34.13 28.67 2mob s GLU 70 CO -0.13 -0.05 -0.00 0.16 -0.49 0.00 0.00 175.26 174.75 2mob s ASP 71 N 1.06 1.99 0.12 -0.19 -4.77 -1.26 -0.26 116.67 113.36 2mob s ASP 71 Ca 0.19 -0.30 0.01 0.00 -3.30 0.00 0.00 52.55 49.16 2mob s ASP 71 Cb -0.15 -0.53 -0.04 0.00 -1.09 0.00 0.00 42.92 41.11 2mob s ASP 71 CO 0.08 -0.21 -0.04 -0.54 0.70 0.00 0.00 175.17 175.16 2mob s LYS 72 N 1.91 0.90 -0.54 2.11 1.02 0.13 -5.00 119.74 120.26 2mob s LYS 72 Ca 0.04 -1.39 -0.34 0.00 0.02 0.00 0.00 55.97 54.30 2mob s LYS 72 Cb -0.13 -0.16 -0.14 0.00 -0.52 0.00 0.00 37.83 36.87 2mob s LYS 72 CO -0.06 -0.07 2.33 0.00 -0.92 0.00 0.00 175.35 176.63 2mob n ALA 73 N -0.09 0.75 -2.91 5.17 0.00 -1.26 0.39 120.51 122.56 2mob n ALA 73 Ca -0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 2mob n ALA 73 Cb 0.62 -2.54 0.03 0.00 0.00 0.00 0.00 19.45 17.56 2mob n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2mob n GLY 74 N 6.58 0.28 3.15 0.00 0.00 -1.26 -4.99 105.19 108.94 2mob n GLY 74 Ca 0.48 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.27 2mob n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2mob s PHE 75 N -3.14 -1.73 -0.99 1.61 0.08 0.16 -4.39 117.98 109.59 2mob s PHE 75 Ca 0.21 1.20 -0.03 0.00 0.12 0.00 0.00 56.93 58.43 2mob s PHE 75 Cb -0.09 0.37 0.28 0.00 -0.57 0.00 0.00 43.02 43.00 2mob s PHE 75 CO 0.31 -1.00 1.17 1.87 -0.10 0.00 0.00 175.22 177.47 2mob n TRP 76 N 5.41 3.45 -3.58 0.36 -0.00 0.61 0.18 117.44 123.88 2mob n TRP 76 Ca 0.04 -3.38 -0.36 0.00 -0.00 0.00 0.00 57.50 53.79 2mob n TRP 76 Cb 0.53 -1.22 -0.06 0.00 -0.00 0.00 0.00 31.31 30.57 2mob n TRP 76 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2mob s TRP 77 N -2.19 3.66 -0.10 5.87 0.52 0.63 -0.70 118.94 126.64 2mob s TRP 77 Ca 0.32 0.85 -0.09 0.00 0.02 0.00 0.00 56.10 57.20 2mob s TRP 77 Cb 0.01 -2.19 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2mob s TRP 77 CO 0.01 0.60 0.26 0.42 0.02 0.00 0.00 176.95 178.26 2mob s ILE 78 N -1.21 -0.00 -0.12 2.03 1.09 0.99 0.24 121.20 124.22 2mob s ILE 78 Ca 0.27 0.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.83 2mob s ILE 78 Cb -0.15 -0.37 -0.01 0.00 -1.06 0.00 0.00 42.46 40.87 2mob s ILE 78 CO 0.14 0.00 -0.16 -0.75 -0.10 0.00 0.00 174.94 174.07 2mob s LYS 79 N 0.20 3.28 0.17 2.79 2.20 -0.87 0.15 119.74 127.65 2mob s LYS 79 Ca -0.00 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 54.93 2mob s LYS 79 Cb -0.02 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 2mob s LYS 79 CO -0.00 0.19 0.00 0.00 -0.36 0.00 0.00 175.35 175.19 2mob s ALA 80 N 0.37 3.22 -0.66 3.13 0.00 -0.10 -0.92 121.76 126.80 2mob s ALA 80 Ca -0.13 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 2mob s ALA 80 Cb -0.17 -1.01 0.36 0.00 0.00 0.00 0.00 23.12 22.31 2mob s ALA 80 CO 0.06 0.48 2.09 -3.47 0.00 0.00 0.00 175.76 174.93 2mob n ASP 81 N -0.13 7.41 0.00 0.00 -0.08 -1.26 -1.83 116.55 120.67 2mob n ASP 81 Ca -0.10 -3.67 0.00 0.00 -1.51 0.00 0.00 54.79 49.52 2mob n ASP 81 Cb 0.55 -1.03 0.00 0.00 2.34 0.00 0.00 41.12 42.98 2mob n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2mob n GLY 82 N -0.51 0.23 3.67 0.27 0.00 -1.26 -4.79 105.19 102.79 2mob n GLY 82 Ca 0.55 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.84 2mob n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mob s ALA 83 N -1.00 3.31 -0.22 4.61 0.00 -1.26 -4.03 121.76 123.17 2mob s ALA 83 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 51.96 49.99 2mob s ALA 83 Cb 0.00 -0.48 0.11 0.00 0.00 0.00 0.00 23.12 22.75 2mob s ALA 83 CO 0.00 0.05 0.38 -1.50 0.00 0.00 0.00 175.76 174.68 2mob s ILE 84 N -2.49 -0.60 0.58 0.00 1.10 0.15 -4.93 121.20 115.01 2mob s ILE 84 Ca 0.36 0.04 -0.16 0.00 -0.51 0.00 0.00 60.65 60.38 2mob s ILE 84 Cb -0.01 -0.73 -0.04 0.00 0.15 0.00 0.00 42.46 41.84 2mob s ILE 84 CO 0.20 -0.04 1.05 -1.61 -2.11 0.00 0.00 174.94 172.44 2mob s GLU 85 N 2.55 3.40 -0.28 3.50 2.02 -1.26 -1.92 118.70 126.71 2mob s GLU 85 Ca 0.07 1.18 -0.16 0.00 0.02 0.00 0.00 54.97 56.07 2mob s GLU 85 Cb -0.14 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 32.13 2mob s GLU 85 CO -0.14 -0.74 0.72 -1.50 0.02 0.00 0.00 175.26 173.62 2mob s ILE 86 N -2.47 0.00 0.36 -1.63 -1.16 -0.92 -4.89 121.20 110.49 2mob s ILE 86 Ca 0.63 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.81 2mob s ILE 86 Cb -0.15 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.87 2mob s ILE 86 CO 0.36 0.00 0.09 -1.81 -2.81 0.00 0.00 174.94 170.77 2mob s ASP 87 N 1.59 2.55 0.00 4.50 1.11 -1.26 -2.02 116.67 123.14 2mob s ASP 87 Ca -0.10 -1.51 0.00 0.00 0.18 0.00 0.00 52.55 51.12 2mob s ASP 87 Cb -0.05 0.20 0.00 0.00 1.07 0.00 0.00 42.92 44.14 2mob s ASP 87 CO -0.19 -0.76 0.00 0.00 1.18 0.00 0.00 175.17 175.40 2mob n ALA 88 N -0.79 0.40 -0.34 5.23 0.00 -1.26 -4.90 120.51 118.85 2mob n ALA 88 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 2mob n ALA 88 Cb 0.66 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.15 2mob n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2mob h ALA 89 N 0.00 0.18 -0.17 0.00 0.00 -1.84 0.50 119.26 117.93 2mob h ALA 89 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2mob h ALA 89 Cb 0.00 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2mob h ALA 89 CO 0.00 -0.60 -0.44 1.49 0.00 0.00 0.00 179.25 179.70 2mob h GLU 90 N -0.04 -0.46 -0.59 0.00 4.81 -1.91 0.82 114.58 117.21 2mob h GLU 90 Ca 0.34 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.76 2mob h GLU 90 Cb 0.60 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 2mob h GLU 90 CO -0.92 -0.31 0.42 0.00 -0.73 0.00 0.00 179.01 177.47 2mob h ALA 91 N 0.11 2.44 0.48 2.92 0.00 -0.75 0.74 119.26 125.21 2mob h ALA 91 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2mob h ALA 91 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2mob h ALA 91 CO -0.43 -0.61 -0.23 0.78 0.00 0.00 0.00 179.25 178.76 2mob h GLY 92 N 0.08 -0.68 2.00 0.00 0.00 0.49 -1.69 103.07 103.27 2mob h GLY 92 Ca 0.28 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2mob h GLY 92 CO -0.02 -0.25 0.00 1.18 0.00 0.00 0.00 176.54 177.45 2mob n GLU 93 N -5.28 0.14 0.04 4.80 1.02 0.32 0.22 120.64 121.91 2mob n GLU 93 Ca -0.11 0.57 -0.06 0.00 -0.02 0.00 0.00 57.16 57.54 2mob n GLU 93 Cb 0.31 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 29.78 2mob n GLU 93 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2mob h LEU 94 N 0.00 -0.18 0.05 -4.62 6.46 -0.09 -3.39 115.31 113.53 2mob h LEU 94 Ca 0.00 -0.18 -0.35 0.00 -0.12 0.00 0.00 57.88 57.23 2mob h LEU 94 Cb 0.09 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.02 2mob h LEU 94 CO 0.00 0.36 -2.07 0.00 -0.62 0.00 0.00 178.44 176.11 2mob n LEU 95 N -4.90 1.77 0.00 2.25 -0.00 -0.72 -4.99 117.00 110.41 2mob n LEU 95 Ca -0.05 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 2mob n LEU 95 Cb 0.18 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 2mob n LEU 95 CO 0.14 0.68 0.00 0.61 -0.00 0.00 0.00 177.39 178.82 2mob n GLY 96 N 1.88 -1.84 0.00 1.47 0.00 0.61 -5.08 105.19 102.22 2mob n GLY 96 Ca -0.30 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2mob n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mob n LYS 97 N -2.25 0.00 0.21 1.61 4.76 0.48 -4.04 118.16 118.93 2mob n LYS 97 Ca 0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.59 2mob n LYS 97 Cb 0.00 0.00 0.64 0.00 -1.84 0.00 0.00 35.03 33.83 2mob n LYS 97 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2mob h PRO 98 N 0.00 0.00 -0.53 1.97 0.13 -1.94 -3.02 132.00 128.61 2mob h PRO 98 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 2mob h PRO 98 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2mob h PRO 98 CO 0.00 0.00 -0.15 0.35 -0.23 0.00 0.00 178.00 177.97 2mob h PHE 99 N 0.00 -0.33 -0.51 1.56 3.04 -1.90 -1.87 116.94 116.93 2mob h PHE 99 Ca 0.00 0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.06 2mob h PHE 99 Cb 0.36 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 39.03 2mob h PHE 99 CO 0.00 -0.24 -0.26 0.43 -2.02 0.00 0.00 178.31 176.22 2mob n SER 100 N -5.39 -0.45 -0.07 0.41 7.64 -1.14 0.24 113.62 114.86 2mob n SER 100 Ca 0.05 0.90 -0.10 0.00 1.01 0.00 0.00 58.87 60.73 2mob n SER 100 Cb 0.29 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 2mob n SER 100 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2mob h VAL 101 N 0.00 0.79 -1.00 0.44 2.07 -1.62 -2.67 116.25 114.27 2mob h VAL 101 Ca 0.12 -1.71 0.19 0.00 0.82 0.00 0.00 66.70 66.12 2mob h VAL 101 Cb 0.25 1.61 -0.11 0.00 -1.52 0.00 0.00 31.29 31.53 2mob h VAL 101 CO -0.49 0.27 0.61 0.22 0.02 0.00 0.00 177.57 178.20 2mob h TYR 102 N -1.00 1.07 -0.41 1.57 3.20 -0.79 2.47 116.97 123.08 2mob h TYR 102 Ca -0.08 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2mob h TYR 102 Cb 0.71 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 2mob h TYR 102 CO 0.07 0.24 0.18 0.22 -1.64 0.00 0.00 178.16 177.23 2mob h ASP 103 N 0.77 0.23 1.06 -2.11 3.58 0.31 -1.73 116.42 118.53 2mob h ASP 103 Ca 0.58 0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.86 2mob h ASP 103 Cb 0.88 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 2mob h ASP 103 CO -0.38 0.17 -0.94 0.17 -2.88 0.00 0.00 179.24 175.38 2mob h LEU 104 N 0.36 0.00 -1.71 2.28 8.10 -0.05 -2.55 115.31 121.74 2mob h LEU 104 Ca 0.18 0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.32 2mob h LEU 104 Cb 0.13 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.33 2mob h LEU 104 CO -0.16 0.93 0.62 -0.07 -4.11 0.00 0.00 178.44 175.66 2mob h LEU 105 N 0.00 0.00 0.00 0.17 -0.00 0.49 3.20 115.31 119.17 2mob h LEU 105 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.55 2mob h LEU 105 Cb 1.72 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.32 2mob h LEU 105 CO 0.12 0.00 -2.20 -0.38 -0.00 0.00 0.00 178.44 175.98 2mob n ILE 106 N -3.47 1.21 0.70 1.22 -0.00 -1.02 -4.57 119.36 113.43 2mob n ILE 106 Ca 0.10 -0.53 0.10 0.00 -0.00 0.00 0.00 62.75 62.42 2mob n ILE 106 Cb 0.81 -1.08 -0.12 0.00 -0.00 0.00 0.00 39.64 39.25 2mob n ILE 106 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2mob n ASN 107 N -3.00 0.69 0.00 4.38 0.23 -0.53 -4.15 115.26 112.89 2mob n ASN 107 Ca -0.35 -0.67 0.05 0.00 -0.53 0.00 0.00 54.58 53.08 2mob n ASN 107 Cb 0.94 1.25 0.22 0.00 -2.08 0.00 0.00 39.78 40.11 2mob n ASN 107 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2mob n VAL 108 N -1.74 1.20 -0.13 3.53 3.14 1.05 -3.32 118.33 122.06 2mob n VAL 108 Ca 0.02 0.30 0.23 0.00 -2.96 0.00 0.00 64.34 61.93 2mob n VAL 108 Cb 0.40 -1.13 0.36 0.00 -1.06 0.00 0.00 33.84 32.41 2mob n VAL 108 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2mob n SER 109 N -1.45 0.00 0.00 6.55 2.88 -1.26 0.20 113.62 120.54 2mob n SER 109 Ca 0.03 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 2mob n SER 109 Cb 0.11 -0.22 0.02 0.00 -0.75 0.00 0.00 64.21 63.37 2mob n SER 109 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2mob n SER 110 N -3.12 0.00 -1.18 -3.46 3.41 -1.21 -3.67 113.62 104.39 2mob n SER 110 Ca 0.20 -1.27 -0.04 0.00 -0.26 0.00 0.00 58.87 57.50 2mob n SER 110 Cb 1.45 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 65.48 2mob n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2mob n THR 111 N -0.52 1.32 0.29 6.66 -2.24 0.53 -4.25 114.28 116.07 2mob n THR 111 Ca 0.01 -0.49 0.17 0.00 -2.27 0.00 0.00 64.05 61.46 2mob n THR 111 Cb 0.00 -0.70 0.90 0.00 -2.10 0.00 0.00 70.33 68.44 2mob n THR 111 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2mob h VAL 112 N 0.61 0.00 -1.90 2.28 3.04 -1.82 -1.80 116.25 116.66 2mob h VAL 112 Ca 0.11 0.00 -0.74 0.00 -1.01 0.00 0.00 66.70 65.06 2mob h VAL 112 Cb 1.31 0.74 -0.26 0.00 -2.01 0.00 0.00 31.29 31.07 2mob h VAL 112 CO 0.25 0.00 1.00 0.61 -1.01 0.00 0.00 177.57 178.42 2mob n GLY 113 N -1.18 5.43 1.49 3.17 0.00 -1.26 -4.95 105.19 107.89 2mob n GLY 113 Ca -0.02 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.58 2mob n GLY 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2mob n ARG 114 N -0.31 -0.38 -2.43 1.61 0.63 -0.68 -2.84 116.66 112.26 2mob n ARG 114 Ca 0.53 0.46 -0.42 0.00 -0.92 0.00 0.00 57.85 57.49 2mob n ARG 114 Cb 0.27 -0.39 -0.03 0.00 0.45 0.00 0.00 32.46 32.77 2mob n ARG 114 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2mob s ALA 115 N -0.18 3.52 -0.20 5.13 0.00 -1.26 -4.19 121.76 124.57 2mob s ALA 115 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2mob s ALA 115 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2mob s ALA 115 CO 0.00 -0.81 1.60 -0.47 0.00 0.00 0.00 175.76 176.08 2mob s TYR 116 N 2.33 2.13 0.72 0.00 6.14 0.50 -4.51 117.35 124.67 2mob s TYR 116 Ca 0.57 0.53 -0.11 0.00 0.64 0.00 0.00 57.07 58.70 2mob s TYR 116 Cb -0.25 -3.95 0.02 0.00 0.42 0.00 0.00 41.96 38.20 2mob s TYR 116 CO 0.22 -2.96 1.10 0.99 0.64 0.00 0.00 175.55 175.53 2mob s THR 117 N 4.98 3.45 -0.33 4.34 2.01 -1.26 0.40 115.64 129.23 2mob s THR 117 Ca 0.71 0.47 0.16 0.00 0.31 0.00 0.00 61.69 63.34 2mob s THR 117 Cb -0.26 -3.42 0.45 0.00 0.01 0.00 0.00 72.50 69.29 2mob s THR 117 CO 0.28 -0.62 1.07 0.18 -0.69 0.00 0.00 174.62 174.84 2mob n LEU 118 N -3.08 0.66 0.00 4.42 4.32 0.89 -4.86 117.00 119.35 2mob n LEU 118 Ca 0.07 -3.58 0.00 0.00 -0.02 0.00 0.00 56.01 52.47 2mob n LEU 118 Cb 0.57 0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.71 2mob n LEU 118 CO 0.57 1.59 0.00 0.61 -1.22 0.00 0.00 177.39 178.94 2mob n GLY 119 N -0.26 0.54 0.00 -0.72 0.00 -1.26 -2.65 105.19 100.83 2mob n GLY 119 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2mob n GLY 119 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2mob n THR 120 N 0.00 0.00 -4.43 2.61 5.66 -1.26 -5.05 114.28 111.81 2mob n THR 120 Ca 0.00 -0.14 -0.22 0.00 -3.05 0.00 0.00 64.05 60.64 2mob n THR 120 Cb 0.00 0.56 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 2mob n THR 120 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2mob s LYS 121 N -2.00 1.57 0.14 1.09 1.02 -1.09 -4.02 119.74 116.46 2mob s LYS 121 Ca -0.01 -1.74 0.02 0.00 0.02 0.00 0.00 55.97 54.27 2mob s LYS 121 Cb 0.02 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.82 2mob s LYS 121 CO 0.12 0.21 -0.03 -0.59 -0.92 0.00 0.00 175.35 174.14 2mob s PHE 122 N -2.75 1.09 -0.08 3.18 -0.71 -0.86 0.30 117.98 118.16 2mob s PHE 122 Ca 0.28 -0.96 -0.03 0.00 -1.04 0.00 0.00 56.93 55.18 2mob s PHE 122 Cb -0.01 -0.62 0.04 0.00 -1.21 0.00 0.00 43.02 41.22 2mob s PHE 122 CO 0.12 -0.16 0.12 0.99 -1.34 0.00 0.00 175.22 174.95 2mob s THR 123 N -3.62 -0.19 -0.02 -4.49 2.01 0.16 -2.17 115.64 107.33 2mob s THR 123 Ca 0.19 0.32 -0.23 0.00 0.31 0.00 0.00 61.69 62.28 2mob s THR 123 Cb 0.05 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 2mob s THR 123 CO 0.00 0.11 0.68 -0.63 -0.69 0.00 0.00 174.62 174.08 2mob s ILE 124 N 2.23 4.92 0.13 1.82 1.09 -0.81 0.19 121.20 130.77 2mob s ILE 124 Ca 0.04 1.41 -0.20 0.00 -1.10 0.00 0.00 60.65 60.80 2mob s ILE 124 Cb -0.13 -4.02 0.05 0.00 -1.06 0.00 0.00 42.46 37.31 2mob s ILE 124 CO -0.05 0.34 0.51 0.28 -0.10 0.00 0.00 174.94 175.92 2mob s THR 125 N 0.24 0.03 0.00 2.92 -1.32 -1.13 -0.67 115.64 115.71 2mob s THR 125 Ca 0.35 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2mob s THR 125 Cb -0.19 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 2mob s THR 125 CO 0.19 -0.15 0.00 -0.24 -2.21 0.00 0.00 174.62 172.21 2mob n SER 126 N -0.19 0.00 -2.62 8.08 2.88 -1.26 -4.54 113.62 115.97 2mob n SER 126 Ca -0.17 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.32 2mob n SER 126 Cb 0.64 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.12 2mob n SER 126 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2mob n GLU 127 N -0.25 0.60 0.00 -1.46 4.71 -1.26 -5.00 120.64 117.98 2mob n GLU 127 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 57.16 56.49 2mob n GLU 127 Cb 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 31.44 30.31 2mob n GLU 127 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50