#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2p s LEU 2 N 0.00 4.56 -0.20 -0.89 2.96 -1.26 -4.29 118.68 119.56 2x2p s LEU 2 Ca 0.00 1.92 -0.04 0.00 -0.22 0.00 0.00 54.13 55.80 2x2p s LEU 2 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 2x2p s LEU 2 CO 0.00 -0.01 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.29 2x2p s VAL 3 N -0.54 3.47 -0.09 1.68 1.01 -0.34 -1.19 120.40 124.39 2x2p s VAL 3 Ca 0.45 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2x2p s VAL 3 Cb -0.26 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2x2p s VAL 3 CO 0.32 0.44 0.11 0.00 0.00 0.00 0.00 175.10 175.97 2x2p s ALA 4 N 1.20 3.73 0.13 5.51 0.00 -0.11 -0.74 121.76 131.50 2x2p s ALA 4 Ca 0.03 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 2x2p s ALA 4 Cb -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2x2p s ALA 4 CO -0.01 0.63 0.27 1.52 0.00 0.00 0.00 175.76 178.18 2x2p s TYR 5 N -1.05 0.18 0.03 0.00 1.13 -0.55 -0.85 117.35 116.24 2x2p s TYR 5 Ca 0.17 -0.56 -0.00 0.00 -1.41 0.00 0.00 57.07 55.26 2x2p s TYR 5 Cb -0.12 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.73 2x2p s TYR 5 CO 0.06 -0.65 -0.03 0.34 -2.51 0.00 0.00 175.55 172.76 2x2p s ASP 6 N -2.89 0.34 -0.19 -0.18 2.15 -1.11 -1.12 116.67 113.67 2x2p s ASP 6 Ca 0.09 -0.67 -0.08 0.00 0.43 0.00 0.00 52.55 52.32 2x2p s ASP 6 Cb 0.04 0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.86 2x2p s ASP 6 CO -0.07 -0.40 0.42 -0.55 -0.17 0.00 0.00 175.17 174.41 2x2p s SER 7 N -1.95 -0.41 -0.17 -0.34 0.15 -1.26 -4.32 113.70 105.39 2x2p s SER 7 Ca -0.08 0.96 -0.15 0.00 0.70 0.00 0.00 55.95 57.38 2x2p s SER 7 Cb -0.04 1.05 -0.22 0.00 -1.71 0.00 0.00 66.02 65.10 2x2p s SER 7 CO -0.04 -0.21 0.25 0.80 1.20 0.00 0.00 173.24 175.24 2x2p n MET 8 N 4.77 0.65 -0.11 5.44 1.56 -1.26 -4.55 117.12 123.62 2x2p n MET 8 Ca -0.17 0.42 0.04 0.00 -0.27 0.00 0.00 57.70 57.73 2x2p n MET 8 Cb 0.53 -1.72 0.10 0.00 2.15 0.00 0.00 33.22 34.28 2x2p n MET 8 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2x2p n THR 9 N -4.00 0.92 0.00 1.12 -2.24 -1.26 -5.01 114.28 103.81 2x2p n THR 9 Ca -0.33 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 2x2p n THR 9 Cb 0.85 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2x2p n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2p n GLY 10 N 0.24 0.41 0.09 3.38 0.00 -1.26 -4.98 105.19 103.07 2x2p n GLY 10 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2x2p n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2x2p h ASN 11 N 0.00 0.17 -0.84 1.61 2.35 -1.95 -0.03 115.58 116.89 2x2p h ASN 11 Ca 0.00 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2x2p h ASN 11 Cb 0.00 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2x2p h ASN 11 CO 0.00 0.53 0.50 0.58 -1.65 0.00 0.00 177.43 177.39 2x2p h VAL 12 N -0.20 1.24 -0.87 2.81 2.07 -1.86 -1.48 116.25 117.95 2x2p h VAL 12 Ca 0.02 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2x2p h VAL 12 Cb 0.47 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2x2p h VAL 12 CO 0.01 0.25 0.53 0.50 0.02 0.00 0.00 177.57 178.89 2x2p h LYS 13 N 1.16 1.17 -0.34 1.57 3.64 -1.81 -0.22 116.57 121.74 2x2p h LYS 13 Ca 0.30 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2x2p h LYS 13 Cb -0.03 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 2x2p h LYS 13 CO -0.05 0.82 0.17 -0.09 -2.27 0.00 0.00 179.45 178.02 2x2p h ARG 14 N 1.19 0.49 -0.33 1.90 2.43 -0.60 -2.25 114.38 117.22 2x2p h ARG 14 Ca 0.31 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 2x2p h ARG 14 Cb -0.07 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 2x2p h ARG 14 CO -0.06 0.44 0.07 0.35 -1.51 0.00 0.00 179.97 179.26 2x2p h PHE 15 N 0.42 0.12 -0.78 2.20 3.57 -0.57 -2.45 116.94 119.44 2x2p h PHE 15 Ca 0.12 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.74 2x2p h PHE 15 Cb 0.11 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 2x2p h PHE 15 CO -0.02 0.03 0.42 0.82 -2.23 0.00 0.00 178.31 177.33 2x2p h ILE 16 N 0.19 0.86 0.00 1.41 1.08 -0.86 -0.87 117.51 119.32 2x2p h ILE 16 Ca 0.15 -0.24 -0.07 0.00 -0.39 0.00 0.00 64.86 64.31 2x2p h ILE 16 Cb 0.16 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 2x2p h ILE 16 CO -0.19 0.13 -0.34 0.45 -0.69 0.00 0.00 178.15 177.50 2x2p h HIS 17 N 0.69 0.00 0.00 1.37 3.86 -0.97 -2.36 115.15 117.75 2x2p h HIS 17 Ca 0.39 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.57 2x2p h HIS 17 Cb 0.40 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 2x2p h HIS 17 CO -0.08 0.34 -0.13 0.87 0.86 0.00 0.00 177.93 179.79 2x2p h LYS 18 N 0.00 0.00 -0.07 2.45 1.57 -0.73 -3.16 116.57 116.63 2x2p h LYS 18 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2x2p h LYS 18 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2x2p h LYS 18 CO 0.04 0.13 -0.59 -0.07 -0.57 0.00 0.00 179.45 178.40 2x2p h LEU 19 N 0.00 0.27 2.60 2.94 3.38 -1.13 -3.47 115.31 119.90 2x2p h LEU 19 Ca -0.00 -0.15 -0.39 0.00 0.09 0.00 0.00 57.88 57.43 2x2p h LEU 19 Cb 0.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2x2p h LEU 19 CO 0.02 0.80 -0.52 0.59 0.09 0.00 0.00 178.44 179.42 2x2p n ASN 20 N -3.88 -5.64 -4.89 -0.43 4.13 -1.20 -5.00 115.26 98.36 2x2p n ASN 20 Ca -0.02 -0.03 -0.21 0.00 1.68 0.00 0.00 54.58 55.99 2x2p n ASN 20 Cb 0.61 -4.68 -0.03 0.00 -1.54 0.00 0.00 39.78 34.14 2x2p n ASN 20 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2x2p s MET 21 N -5.16 3.11 0.13 3.52 -1.94 -1.26 -5.06 119.30 112.64 2x2p s MET 21 Ca 0.05 -0.96 -0.34 0.00 -1.71 0.00 0.00 55.69 52.74 2x2p s MET 21 Cb -0.02 -2.69 -0.14 0.00 2.01 0.00 0.00 34.83 33.99 2x2p s MET 21 CO 0.07 0.38 1.60 -2.30 -0.01 0.00 0.00 175.02 174.75 2x2p n PRO 22 N -1.29 2.11 -3.78 2.03 -0.02 -1.26 -4.91 135.00 127.87 2x2p n PRO 22 Ca -0.08 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 2x2p n PRO 22 Cb 0.58 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 2x2p n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x2p s ALA 23 N 1.21 -0.69 -0.03 3.55 0.00 -1.26 -1.20 121.76 123.35 2x2p s ALA 23 Ca 0.80 0.53 0.01 0.00 0.00 0.00 0.00 51.96 53.30 2x2p s ALA 23 Cb -0.69 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.23 2x2p s ALA 23 CO 0.40 -0.19 -0.01 0.54 0.00 0.00 0.00 175.76 176.50 2x2p s VAL 24 N -0.53 0.25 0.03 0.00 0.11 0.08 -4.96 120.40 115.38 2x2p s VAL 24 Ca -0.06 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 2x2p s VAL 24 Cb -0.04 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2x2p s VAL 24 CO 0.02 0.15 1.28 -1.58 -3.33 0.00 0.00 175.10 171.63 2x2p s GLN 25 N 0.83 4.36 0.57 1.54 2.00 -1.26 -1.48 119.66 126.22 2x2p s GLN 25 Ca -0.09 1.84 -0.19 0.00 -2.00 0.00 0.00 55.36 54.93 2x2p s GLN 25 Cb -0.12 -3.44 -0.04 0.00 0.80 0.00 0.00 33.01 30.20 2x2p s GLN 25 CO -0.01 -0.41 1.15 0.96 -0.50 0.00 0.00 175.29 176.48 2x2p s ILE 26 N 1.68 2.99 0.31 -2.34 -4.36 -0.28 -4.89 121.20 114.32 2x2p s ILE 26 Ca 0.60 0.60 -0.09 0.00 -0.26 0.00 0.00 60.65 61.50 2x2p s ILE 26 Cb -0.30 -3.22 0.04 0.00 1.25 0.00 0.00 42.46 40.22 2x2p s ILE 26 CO 0.27 -0.15 0.57 -0.90 0.24 0.00 0.00 174.94 174.96 2x2p n ASP 27 N -1.51 -1.63 -0.03 4.36 5.68 -1.26 -5.00 116.55 117.16 2x2p n ASP 27 Ca 0.12 -2.34 0.14 0.00 -0.50 0.00 0.00 54.79 52.21 2x2p n ASP 27 Cb 0.51 2.78 0.54 0.00 -1.14 0.00 0.00 41.12 43.81 2x2p n ASP 27 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2x2p n GLU 28 N -0.44 0.22 0.00 0.11 4.71 -1.26 -2.90 120.64 121.08 2x2p n GLU 28 Ca -0.05 -0.06 0.02 0.00 -0.01 0.00 0.00 57.16 57.06 2x2p n GLU 28 Cb 0.47 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.39 2x2p n GLU 28 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2x2p n ASP 29 N -1.33 0.47 -4.70 1.62 5.75 -1.26 -5.02 116.55 112.07 2x2p n ASP 29 Ca 0.09 -0.73 -0.43 0.00 -0.01 0.00 0.00 54.79 53.70 2x2p n ASP 29 Cb 0.31 0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 41.14 2x2p n ASP 29 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2x2p n LEU 30 N -0.79 3.69 -4.11 -2.12 7.94 -1.14 -4.99 117.00 115.48 2x2p n LEU 30 Ca 0.01 1.07 -0.32 0.00 -1.11 0.00 0.00 56.01 55.66 2x2p n LEU 30 Cb 0.08 -1.52 -0.16 0.00 0.53 0.00 0.00 43.42 42.34 2x2p n LEU 30 CO 0.07 0.02 -0.52 -0.69 -1.11 0.00 0.00 177.39 175.16 2x2p s VAL 31 N 1.16 1.90 -0.21 1.96 1.01 -1.26 -4.92 120.40 120.04 2x2p s VAL 31 Ca 0.77 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2x2p s VAL 31 Cb -0.56 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2x2p s VAL 31 CO 0.34 0.52 0.13 -0.63 0.00 0.00 0.00 175.10 175.46 2x2p s ILE 32 N 1.14 5.33 -0.58 2.22 1.01 -1.26 -4.95 121.20 124.11 2x2p s ILE 32 Ca -0.00 0.16 0.14 0.00 0.00 0.00 0.00 60.65 60.95 2x2p s ILE 32 Cb -0.14 -3.45 0.45 0.00 0.01 0.00 0.00 42.46 39.34 2x2p s ILE 32 CO -0.08 0.41 1.37 -0.90 0.00 0.00 0.00 174.94 175.74 2x2p n ASP 33 N 3.78 3.56 -3.72 3.58 5.68 -1.26 -4.83 116.55 123.34 2x2p n ASP 33 Ca -0.16 -2.52 -0.10 0.00 -0.50 0.00 0.00 54.79 51.51 2x2p n ASP 33 Cb 0.52 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 40.05 2x2p n ASP 33 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2x2p s GLU 34 N -1.94 1.23 0.27 0.11 -1.05 -1.26 -5.13 118.70 110.93 2x2p s GLU 34 Ca 0.35 -0.83 -0.29 0.00 -0.15 0.00 0.00 54.97 54.04 2x2p s GLU 34 Cb 0.24 0.49 -0.14 0.00 -0.44 0.00 0.00 34.13 34.28 2x2p s GLU 34 CO 0.13 -0.50 1.16 -0.25 0.95 0.00 0.00 175.26 176.75 2x2p n ASP 35 N -0.28 1.86 -3.87 0.83 8.00 -1.26 -4.82 116.55 117.00 2x2p n ASP 35 Ca -0.12 1.17 -0.09 0.00 0.71 0.00 0.00 54.79 56.46 2x2p n ASP 35 Cb 0.63 -1.34 -0.08 0.00 -0.02 0.00 0.00 41.12 40.31 2x2p n ASP 35 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2x2p s PHE 36 N -0.73 0.17 -0.14 1.24 -0.12 -0.71 -4.04 117.98 113.64 2x2p s PHE 36 Ca 0.62 -0.58 -0.05 0.00 -0.05 0.00 0.00 56.93 56.87 2x2p s PHE 36 Cb -0.69 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 41.58 2x2p s PHE 36 CO 0.57 -0.52 0.02 0.42 -0.05 0.00 0.00 175.22 175.67 2x2p s ILE 37 N -3.70 4.46 -0.11 -4.49 -1.09 -0.34 -0.60 121.20 115.34 2x2p s ILE 37 Ca 0.04 -0.16 -0.14 0.00 -2.23 0.00 0.00 60.65 58.15 2x2p s ILE 37 Cb 0.04 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.92 2x2p s ILE 37 CO -0.10 0.52 0.34 -0.22 -1.23 0.00 0.00 174.94 174.25 2x2p s LEU 38 N -0.11 4.31 -0.22 2.97 2.96 -0.62 -0.93 118.68 127.05 2x2p s LEU 38 Ca 0.05 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 54.59 2x2p s LEU 38 Cb -0.12 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 2x2p s LEU 38 CO 0.02 0.16 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.52 2x2p s ILE 39 N 0.02 3.25 0.30 6.68 1.01 -0.03 -1.20 121.20 131.23 2x2p s ILE 39 Ca 0.20 -0.58 0.11 0.00 0.00 0.00 0.00 60.65 60.38 2x2p s ILE 39 Cb -0.14 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 2x2p s ILE 39 CO 0.07 0.40 -0.17 0.28 0.00 0.00 0.00 174.94 175.52 2x2p s THR 40 N 1.45 2.44 0.52 2.92 -1.32 -0.79 -2.76 115.64 118.11 2x2p s THR 40 Ca 0.05 -2.34 0.09 0.00 -1.21 0.00 0.00 61.69 58.28 2x2p s THR 40 Cb -0.14 -2.41 0.06 0.00 -1.51 0.00 0.00 72.50 68.50 2x2p s THR 40 CO -0.04 -0.35 0.71 -0.72 -2.21 0.00 0.00 174.62 172.02 2x2p s TYR 41 N -2.53 1.91 -0.09 9.09 -0.85 -1.26 -0.89 117.35 122.72 2x2p s TYR 41 Ca 0.31 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.26 2x2p s TYR 41 Cb -0.03 -2.27 -0.02 0.00 0.38 0.00 0.00 41.96 40.02 2x2p s TYR 41 CO 0.16 -0.89 -0.14 0.99 -1.52 0.00 0.00 175.55 174.15 2x2p s THR 42 N -2.55 3.07 0.20 -3.49 2.01 -1.04 -4.42 115.64 109.42 2x2p s THR 42 Ca 0.59 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.97 2x2p s THR 42 Cb -0.07 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 2x2p s THR 42 CO 0.37 0.56 -0.11 0.28 -0.69 0.00 0.00 174.62 175.03 2x2p s THR 43 N -0.19 1.50 0.00 -0.82 -1.32 -0.36 -4.92 115.64 109.53 2x2p s THR 43 Ca 0.00 -2.14 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 2x2p s THR 43 Cb -0.13 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.79 2x2p s THR 43 CO 0.03 -0.58 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 2x2p n GLY 44 N -0.36 2.75 3.24 6.08 0.00 -1.26 -0.76 105.19 114.88 2x2p n GLY 44 Ca -0.08 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 2x2p n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x2p n PHE 45 N 14.00 4.32 -1.04 1.61 3.72 -1.26 -4.56 117.46 134.25 2x2p n PHE 45 Ca 0.00 -3.43 -0.01 0.00 -0.05 0.00 0.00 57.45 53.95 2x2p n PHE 45 Cb 0.00 -1.66 -0.01 0.00 -0.94 0.00 0.00 39.48 36.87 2x2p n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x2p n GLY 46 N 2.49 0.51 3.95 1.37 0.00 -1.21 -5.01 105.19 107.28 2x2p n GLY 46 Ca 0.27 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 2x2p n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x2p s ASN 47 N -2.77 6.34 0.06 1.61 0.01 0.06 -3.58 114.94 116.67 2x2p s ASN 47 Ca 0.00 0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 52.05 2x2p s ASN 47 Cb 0.00 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.68 2x2p s ASN 47 CO 0.00 -0.00 1.13 -0.69 -1.51 0.00 0.00 177.10 176.02 2x2p s VAL 48 N -1.83 4.24 0.50 1.60 1.01 -1.26 -1.22 120.40 123.44 2x2p s VAL 48 Ca 0.35 1.64 -0.23 0.00 0.00 0.00 0.00 61.98 63.74 2x2p s VAL 48 Cb -0.11 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2x2p s VAL 48 CO 0.29 0.15 1.37 -2.84 0.00 0.00 0.00 175.10 174.07 2x2p s PRO 49 N 0.87 3.42 0.26 2.72 0.02 -1.26 -4.77 135.00 136.26 2x2p s PRO 49 Ca 0.56 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 2x2p s PRO 49 Cb -0.27 -2.44 0.39 0.00 0.02 0.00 0.00 34.50 32.20 2x2p s PRO 49 CO 0.29 -0.98 1.87 1.49 -0.33 0.00 0.00 177.00 179.34 2x2p h GLU 50 N 1.87 1.07 -0.74 5.54 4.57 -1.99 -0.54 114.58 124.36 2x2p h GLU 50 Ca -0.51 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 2x2p h GLU 50 Cb 1.28 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 2x2p h GLU 50 CO 0.59 0.70 0.38 -0.09 -1.18 0.00 0.00 179.01 179.41 2x2p h ARG 51 N 1.10 1.05 -0.39 1.92 2.43 -2.00 0.32 114.38 118.82 2x2p h ARG 51 Ca 0.42 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 2x2p h ARG 51 Cb 0.19 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2x2p h ARG 51 CO -0.18 0.80 -0.14 0.28 -1.51 0.00 0.00 179.97 179.22 2x2p h VAL 52 N 1.05 1.28 -0.89 0.20 2.07 -1.57 -1.45 116.25 116.93 2x2p h VAL 52 Ca 0.26 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2x2p h VAL 52 Cb 0.08 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2x2p h VAL 52 CO -0.04 0.41 0.58 -0.07 0.02 0.00 0.00 177.57 178.48 2x2p h LEU 53 N 0.58 0.97 -0.38 2.57 3.38 -0.47 -0.58 115.31 121.38 2x2p h LEU 53 Ca 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2x2p h LEU 53 Cb 0.67 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2x2p h LEU 53 CO 0.05 0.67 0.10 0.44 0.09 0.00 0.00 178.44 179.78 2x2p h ASP 54 N 1.13 0.57 -0.31 -0.43 3.32 -0.85 -0.83 116.42 119.01 2x2p h ASP 54 Ca 0.35 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2x2p h ASP 54 Cb -0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2x2p h ASP 54 CO -0.11 0.65 0.21 0.15 -1.72 0.00 0.00 179.24 178.41 2x2p h PHE 55 N 0.47 0.39 -0.17 4.55 3.57 -0.95 -2.75 116.94 122.04 2x2p h PHE 55 Ca 0.12 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2x2p h PHE 55 Cb 0.30 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2x2p h PHE 55 CO 0.02 0.25 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.01 2x2p h LEU 56 N 0.42 0.32 -1.27 0.59 3.38 -0.90 -0.49 115.31 117.37 2x2p h LEU 56 Ca 0.11 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.13 2x2p h LEU 56 Cb -0.05 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 2x2p h LEU 56 CO -0.02 0.59 0.58 -0.33 0.09 0.00 0.00 178.44 179.35 2x2p h GLU 57 N 0.29 0.66 0.00 1.13 5.08 -0.86 -2.63 114.58 118.26 2x2p h GLU 57 Ca 0.04 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2x2p h GLU 57 Cb 0.63 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2x2p h GLU 57 CO 0.05 0.44 -1.38 0.00 -1.00 0.00 0.00 179.01 177.11 2x2p h ARG 58 N 0.68 0.00 0.00 2.33 3.08 -1.18 -3.42 114.38 115.87 2x2p h ARG 58 Ca 0.46 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.47 2x2p h ARG 58 Cb 0.78 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.73 2x2p h ARG 58 CO -0.22 0.35 -0.58 0.09 -1.07 0.00 0.00 179.97 178.54 2x2p n ASN 59 N -2.95 1.51 0.04 7.04 3.02 -0.28 -4.83 115.26 118.81 2x2p n ASN 59 Ca -0.10 -3.22 0.13 0.00 -0.03 0.00 0.00 54.58 51.36 2x2p n ASN 59 Cb 0.87 -0.44 0.42 0.00 -0.61 0.00 0.00 39.78 40.02 2x2p n ASN 59 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2x2p n ASN 60 N -0.68 0.42 -0.32 6.41 0.23 -1.01 -3.86 115.26 116.45 2x2p n ASN 60 Ca 0.14 0.33 0.05 0.00 -0.53 0.00 0.00 54.58 54.57 2x2p n ASN 60 Cb 0.80 -0.34 0.20 0.00 -2.08 0.00 0.00 39.78 38.36 2x2p n ASN 60 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2x2p h GLU 61 N 0.00 0.84 -0.63 -3.83 4.81 -1.88 -2.60 114.58 111.30 2x2p h GLU 61 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2x2p h GLU 61 Cb 0.60 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2x2p h GLU 61 CO 0.00 0.56 0.00 1.63 -0.73 0.00 0.00 179.01 180.47 2x2p n LYS 62 N -4.70 2.82 -1.93 1.92 4.76 -1.25 -4.95 118.16 114.83 2x2p n LYS 62 Ca 0.16 -2.52 -0.42 0.00 -2.87 0.00 0.00 58.31 52.66 2x2p n LYS 62 Cb 0.31 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 2x2p n LYS 62 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2x2p s LEU 63 N -1.05 4.36 0.00 -0.35 2.96 -0.98 -1.74 118.68 121.87 2x2p s LEU 63 Ca 0.42 2.44 0.06 0.00 -0.22 0.00 0.00 54.13 56.84 2x2p s LEU 63 Cb 0.22 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.36 2x2p s LEU 63 CO 0.28 -0.90 0.50 0.29 -1.32 0.00 0.00 176.35 175.20 2x2p n LYS 64 N 6.05 2.33 0.00 1.98 4.76 0.24 -4.91 118.16 128.60 2x2p n LYS 64 Ca 0.16 -0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 2x2p n LYS 64 Cb 0.41 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 2x2p n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x2p n GLY 65 N 0.74 1.46 2.89 0.72 0.00 -1.25 -4.28 105.19 105.47 2x2p n GLY 65 Ca 0.03 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2x2p n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2p s VAL 66 N -2.00 0.08 0.15 1.61 0.11 -0.59 -1.58 120.40 118.17 2x2p s VAL 66 Ca 0.00 -0.07 0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2x2p s VAL 66 Cb 0.00 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.73 2x2p s VAL 66 CO 0.00 0.01 -0.24 -0.44 -3.33 0.00 0.00 175.10 171.10 2x2p s SER 67 N -0.06 3.46 -0.04 3.54 0.01 -0.34 -0.21 113.70 120.06 2x2p s SER 67 Ca -0.00 -0.75 0.05 0.00 1.31 0.00 0.00 55.95 56.56 2x2p s SER 67 Cb -0.01 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 2x2p s SER 67 CO -0.00 0.16 -0.20 0.00 0.41 0.00 0.00 173.24 173.61 2x2p s ALA 68 N -1.27 1.73 0.19 1.44 0.00 -0.93 -1.88 121.76 121.05 2x2p s ALA 68 Ca 0.17 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 2x2p s ALA 68 Cb -0.09 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 2x2p s ALA 68 CO 0.08 0.35 0.88 0.45 0.00 0.00 0.00 175.76 177.52 2x2p s SER 69 N -0.14 7.53 0.00 0.00 0.15 -0.07 -1.29 113.70 119.88 2x2p s SER 69 Ca -0.01 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2x2p s SER 69 Cb -0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2x2p s SER 69 CO 0.02 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2x2p n GLY 70 N 1.64 3.23 3.28 9.45 0.00 -0.31 -2.50 105.19 119.99 2x2p n GLY 70 Ca -0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2x2p n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x2p s ASN 71 N 2.00 -0.40 0.00 1.61 3.84 -1.26 -1.05 114.94 119.67 2x2p s ASN 71 Ca 0.00 0.97 0.14 0.00 0.21 0.00 0.00 52.86 54.18 2x2p s ASN 71 Cb 0.00 1.09 0.66 0.00 -0.55 0.00 0.00 41.25 42.45 2x2p s ASN 71 CO 0.00 -0.21 1.38 0.54 -2.79 0.00 0.00 177.10 176.02 2x2p n ARG 72 N 4.84 0.14 0.00 0.43 1.74 -1.26 -1.39 116.66 121.17 2x2p n ARG 72 Ca -0.16 0.19 0.08 0.00 -0.77 0.00 0.00 57.85 57.19 2x2p n ARG 72 Cb 0.52 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.85 2x2p n ARG 72 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2x2p n ASN 73 N -1.35 0.00 -0.44 0.55 0.23 -1.26 -1.18 115.26 111.81 2x2p n ASN 73 Ca 0.06 0.13 0.09 0.00 -0.53 0.00 0.00 54.58 54.33 2x2p n ASN 73 Cb 0.12 -0.32 0.37 0.00 -2.08 0.00 0.00 39.78 37.88 2x2p n ASN 73 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 2x2p n TRP 74 N -1.32 0.19 0.00 -2.53 7.02 -0.48 -5.01 117.44 115.31 2x2p n TRP 74 Ca 0.07 -0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 2x2p n TRP 74 Cb 0.13 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 2x2p n TRP 74 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2x2p n GLY 75 N 1.03 3.73 0.00 6.99 0.00 -0.33 -1.14 105.19 115.46 2x2p n GLY 75 Ca 0.15 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.32 2x2p n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x2p n ASP 76 N 5.89 0.00 -0.68 1.61 3.85 -1.26 -1.54 116.55 124.43 2x2p n ASP 76 Ca 0.00 -0.93 0.11 0.00 -0.71 0.00 0.00 54.79 53.26 2x2p n ASP 76 Cb 0.00 0.00 0.35 0.00 -1.35 0.00 0.00 41.12 40.12 2x2p n ASP 76 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 2x2p n MET 77 N -0.98 1.89 -1.65 0.11 2.81 -0.30 -4.87 117.12 114.14 2x2p n MET 77 Ca 0.20 -1.34 -0.47 0.00 -1.81 0.00 0.00 57.70 54.28 2x2p n MET 77 Cb 0.09 -1.43 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 2x2p n MET 77 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2x2p n PHE 78 N 0.57 2.24 -2.01 2.03 7.35 -0.59 -1.87 117.46 125.19 2x2p n PHE 78 Ca 0.17 -0.04 -0.18 0.00 -0.76 0.00 0.00 57.45 56.64 2x2p n PHE 78 Cb 0.40 -2.68 -0.04 0.00 0.35 0.00 0.00 39.48 37.51 2x2p n PHE 78 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x2p n GLY 79 N 4.79 0.51 0.25 7.13 0.00 -1.26 -4.88 105.19 111.72 2x2p n GLY 79 Ca 0.25 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.30 2x2p n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2p h ALA 80 N 0.51 1.00 -0.92 4.61 0.00 -1.62 -1.18 119.26 121.66 2x2p h ALA 80 Ca -0.41 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.58 2x2p h ALA 80 Cb 1.26 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2x2p h ALA 80 CO 0.52 0.00 0.57 0.66 0.00 0.00 0.00 179.25 181.00 2x2p h SER 81 N 0.00 0.87 -0.63 0.00 4.64 -1.79 -1.67 113.55 114.97 2x2p h SER 81 Ca 0.00 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2x2p h SER 81 Cb 0.26 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2x2p h SER 81 CO 0.00 0.53 0.09 0.00 -0.87 0.00 0.00 176.83 176.58 2x2p h ALA 82 N 1.45 0.84 -0.64 5.18 0.00 -1.55 -2.04 119.26 122.51 2x2p h ALA 82 Ca 0.42 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2x2p h ALA 82 Cb 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2x2p h ALA 82 CO -0.21 0.61 0.41 -0.44 0.00 0.00 0.00 179.25 179.63 2x2p h ASP 83 N 0.97 0.70 -0.29 0.00 3.32 -1.40 0.43 116.42 120.14 2x2p h ASP 83 Ca 0.19 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2x2p h ASP 83 Cb 0.45 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2x2p h ASP 83 CO 0.01 0.50 0.11 0.11 -1.72 0.00 0.00 179.24 178.26 2x2p h LYS 84 N 0.83 0.44 -0.26 3.56 1.57 -1.19 -1.41 116.57 120.11 2x2p h LYS 84 Ca 0.24 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2x2p h LYS 84 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2x2p h LYS 84 CO -0.07 0.46 -0.14 0.82 -0.57 0.00 0.00 179.45 179.94 2x2p h ILE 85 N 0.32 1.30 -0.44 1.86 2.04 -1.17 -1.52 117.51 119.90 2x2p h ILE 85 Ca 0.10 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.75 2x2p h ILE 85 Cb 0.19 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2x2p h ILE 85 CO -0.01 0.39 0.23 -1.28 0.00 0.00 0.00 178.15 177.49 2x2p h SER 86 N 0.27 0.35 -0.38 1.72 0.87 -0.86 -1.48 113.55 114.05 2x2p h SER 86 Ca 0.05 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 2x2p h SER 86 Cb 0.66 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2x2p h SER 86 CO 0.04 0.25 -0.09 0.74 -0.53 0.00 0.00 176.83 177.24 2x2p h THR 87 N 0.47 1.28 -0.06 2.23 2.02 -1.20 0.41 112.91 118.06 2x2p h THR 87 Ca 0.19 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 2x2p h THR 87 Cb 0.07 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2x2p h THR 87 CO -0.12 0.39 -0.06 0.50 0.37 0.00 0.00 175.52 176.60 2x2p h LYS 88 N 0.54 0.15 -0.02 6.66 3.64 -1.15 -3.30 116.57 123.09 2x2p h LYS 88 Ca 0.10 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2x2p h LYS 88 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2x2p h LYS 88 CO 0.04 0.59 -0.16 0.66 -2.27 0.00 0.00 179.45 178.31 2x2p n TYR 89 N -4.73 0.00 -3.49 1.91 4.01 -0.57 -4.98 117.16 109.32 2x2p n TYR 89 Ca -0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.47 2x2p n TYR 89 Cb 0.29 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 39.36 2x2p n TYR 89 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x2p n GLU 90 N 0.37 -4.17 -4.26 -0.72 1.02 0.11 -5.02 120.64 107.97 2x2p n GLU 90 Ca 0.14 0.74 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 2x2p n GLU 90 Cb 0.46 -5.44 -0.11 0.00 -0.02 0.00 0.00 31.44 26.33 2x2p n GLU 90 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2x2p s VAL 91 N -3.47 1.44 0.61 2.62 -7.23 -1.07 -5.07 120.40 108.23 2x2p s VAL 91 Ca 0.20 -1.77 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 2x2p s VAL 91 Cb -0.04 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 2x2p s VAL 91 CO 0.77 -0.40 1.09 -2.16 -0.31 0.00 0.00 175.10 174.09 2x2p s PRO 92 N -2.72 3.13 -0.60 4.82 0.04 -1.26 -4.41 135.00 134.01 2x2p s PRO 92 Ca 0.11 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.22 2x2p s PRO 92 Cb -0.05 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.53 2x2p s PRO 92 CO 0.04 -0.98 1.16 0.42 0.04 0.00 0.00 177.00 177.67 2x2p s ILE 93 N -2.29 4.05 0.10 0.56 1.01 -1.26 -1.55 121.20 121.82 2x2p s ILE 93 Ca 0.66 0.70 -0.24 0.00 0.00 0.00 0.00 60.65 61.78 2x2p s ILE 93 Cb -0.19 -4.72 -0.13 0.00 0.01 0.00 0.00 42.46 37.43 2x2p s ILE 93 CO 0.37 -1.38 1.71 0.58 0.00 0.00 0.00 174.94 176.22 2x2p h VAL 94 N 6.11 0.85 -2.20 2.92 2.07 -0.95 -3.48 116.25 121.58 2x2p h VAL 94 Ca -0.26 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.42 2x2p h VAL 94 Cb 1.06 0.85 -0.13 0.00 -1.52 0.00 0.00 31.29 31.55 2x2p h VAL 94 CO 1.18 0.00 0.53 -0.94 0.02 0.00 0.00 177.57 178.36 2x2p s SER 95 N -5.08 -0.26 0.01 0.57 1.04 -1.25 -4.92 113.70 103.81 2x2p s SER 95 Ca -0.14 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.21 2x2p s SER 95 Cb 0.07 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 2x2p s SER 95 CO 0.66 -0.67 -0.21 -0.54 0.98 0.00 0.00 173.24 173.45 2x2p s LYS 96 N -3.09 1.62 0.07 4.02 1.02 -1.26 -2.19 119.74 119.92 2x2p s LYS 96 Ca 0.08 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.19 2x2p s LYS 96 Cb -0.01 -1.62 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 2x2p s LYS 96 CO -0.04 0.44 0.09 -0.59 -0.92 0.00 0.00 175.35 174.32 2x2p s PHE 97 N -0.60 0.31 -0.03 3.18 -0.12 -0.41 -4.99 117.98 115.33 2x2p s PHE 97 Ca 0.08 -0.78 -0.18 0.00 -0.05 0.00 0.00 56.93 56.00 2x2p s PHE 97 Cb -0.08 -0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.04 2x2p s PHE 97 CO 0.00 -0.46 0.50 -1.21 -0.05 0.00 0.00 175.22 174.01 2x2p s GLU 98 N -3.75 4.19 7.50 1.99 2.02 -1.26 -1.16 118.70 128.24 2x2p s GLU 98 Ca 0.05 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.59 2x2p s GLU 98 Cb 0.06 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.97 2x2p s GLU 98 CO -0.10 0.44 0.00 1.28 0.02 0.00 0.00 175.26 176.90 2x2p n LEU 99 N 2.60 0.00 -0.43 1.80 4.77 -0.22 -0.72 117.00 124.80 2x2p n LEU 99 Ca -0.10 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.00 2x2p n LEU 99 Cb 0.52 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.07 2x2p n LEU 99 CO 0.41 0.00 0.83 -1.54 -1.33 0.00 0.00 177.39 175.76 2x2p n SER 100 N 5.05 1.30 0.00 -1.43 3.41 -1.26 -4.52 113.62 116.16 2x2p n SER 100 Ca 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 2x2p n SER 100 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2x2p n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x2p n GLY 101 N 1.08 -2.37 3.98 5.00 0.00 0.10 -4.08 105.19 108.91 2x2p n GLY 101 Ca 0.17 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 2x2p n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x2p s THR 102 N -3.51 2.64 0.34 2.61 -4.23 -1.26 -4.97 115.64 107.26 2x2p s THR 102 Ca 0.00 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 2x2p s THR 102 Cb 0.00 -2.92 0.24 0.00 1.34 0.00 0.00 72.50 71.16 2x2p s THR 102 CO 0.00 0.00 1.98 0.78 -0.54 0.00 0.00 174.62 176.84 2x2p h ASN 103 N 0.10 0.71 -0.70 3.99 2.35 -2.00 -1.35 115.58 118.68 2x2p h ASN 103 Ca -0.41 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2x2p h ASN 103 Cb 1.29 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 2x2p h ASN 103 CO 0.49 0.56 0.35 0.78 -1.65 0.00 0.00 177.43 177.96 2x2p h ASN 104 N 0.81 0.93 -0.80 5.81 2.35 -1.99 -2.04 115.58 120.64 2x2p h ASN 104 Ca 0.21 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2x2p h ASN 104 Cb -0.01 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2x2p h ASN 104 CO -0.04 0.79 0.39 0.44 -1.65 0.00 0.00 177.43 177.36 2x2p h ASP 105 N 1.02 1.05 0.02 5.81 3.32 -1.65 -0.30 116.42 125.69 2x2p h ASP 105 Ca 0.25 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2x2p h ASP 105 Cb 0.10 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2x2p h ASP 105 CO -0.03 0.88 -0.01 0.58 -1.72 0.00 0.00 179.24 178.94 2x2p h VAL 106 N 1.15 1.08 -0.52 -1.35 2.07 -1.06 -1.61 116.25 116.01 2x2p h VAL 106 Ca 0.28 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 2x2p h VAL 106 Cb 0.11 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2x2p h VAL 106 CO -0.04 0.08 -0.07 -0.33 0.02 0.00 0.00 177.57 177.23 2x2p h GLU 107 N -0.15 0.94 -0.45 1.57 3.07 -1.21 -2.48 114.58 115.88 2x2p h GLU 107 Ca -0.00 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 2x2p h GLU 107 Cb 0.14 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2x2p h GLU 107 CO 0.00 0.98 0.23 -0.92 -1.40 0.00 0.00 179.01 177.90 2x2p h TYR 108 N 0.85 0.63 -0.32 4.33 3.20 -1.00 -0.87 116.97 123.79 2x2p h TYR 108 Ca 0.14 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.06 2x2p h TYR 108 Cb 0.60 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 2x2p h TYR 108 CO 0.04 0.49 -0.10 0.35 -1.64 0.00 0.00 178.16 177.30 2x2p h PHE 109 N 0.58 -0.22 -0.72 -3.82 3.57 -1.06 -0.03 116.94 115.25 2x2p h PHE 109 Ca 0.16 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2x2p h PHE 109 Cb 0.08 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2x2p h PHE 109 CO -0.02 -0.16 0.26 0.87 -2.23 0.00 0.00 178.31 177.03 2x2p h LYS 110 N -0.03 1.10 -0.64 1.11 1.57 -1.14 -0.76 116.57 117.78 2x2p h LYS 110 Ca 0.16 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2x2p h LYS 110 Cb 0.26 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2x2p h LYS 110 CO -0.34 0.92 0.24 0.93 -0.57 0.00 0.00 179.45 180.63 2x2p h GLU 111 N 1.05 0.97 -0.47 3.15 5.08 -0.83 -2.04 114.58 121.48 2x2p h GLU 111 Ca 0.24 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2x2p h GLU 111 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2x2p h GLU 111 CO -0.01 0.82 0.01 0.00 -1.00 0.00 0.00 179.01 178.83 2x2p h ARG 112 N 0.90 0.83 -1.00 2.33 2.47 -0.70 -2.50 114.38 116.72 2x2p h ARG 112 Ca 0.21 -0.26 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2x2p h ARG 112 Cb 0.23 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 2x2p h ARG 112 CO -0.01 0.88 0.66 0.28 0.56 0.00 0.00 179.97 182.33 2x2p h VAL 113 N 0.69 1.25 -0.06 2.04 2.07 -1.05 -1.43 116.25 119.75 2x2p h VAL 113 Ca 0.13 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2x2p h VAL 113 Cb 0.50 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2x2p h VAL 113 CO 0.02 0.25 -0.10 0.03 0.02 0.00 0.00 177.57 177.79 2x2p h ARG 114 N 1.34 0.09 0.03 1.57 3.08 -1.09 0.11 114.38 119.51 2x2p h ARG 114 Ca 0.37 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 60.18 2x2p h ARG 114 Cb -0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2x2p h ARG 114 CO -0.08 0.19 -0.98 0.93 -1.07 0.00 0.00 179.97 178.96 2x2p h GLU 115 N 0.08 0.27 0.22 0.04 5.08 -0.97 -3.35 114.58 115.96 2x2p h GLU 115 Ca 0.02 -0.34 -0.35 0.00 -1.00 0.00 0.00 59.36 57.70 2x2p h GLU 115 Cb 0.23 0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.61 2x2p h GLU 115 CO 0.01 1.06 -1.63 0.82 -1.00 0.00 0.00 179.01 178.27 2x2p h ILE 116 N 0.14 1.09 0.00 3.13 2.04 -0.61 -3.52 117.51 119.78 2x2p h ILE 116 Ca -0.07 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2x2p h ILE 116 Cb 1.64 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.61 2x2p h ILE 116 CO 0.16 0.84 0.00 0.00 0.00 0.00 0.00 178.15 179.15