#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jht n MET 66 N 0.00 0.00 -1.94 0.00 -0.00 -1.26 -5.02 117.12 108.91 2jht n MET 66 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.28 2jht n MET 66 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 33.22 33.19 2jht n MET 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2jht s VAL 67 N 0.00 2.76 0.52 3.17 -7.23 -1.26 -4.93 120.40 113.44 2jht s VAL 67 Ca 0.00 0.47 -0.22 0.00 -1.81 0.00 0.00 61.98 60.42 2jht s VAL 67 Cb 0.00 -3.30 -0.06 0.00 0.56 0.00 0.00 36.38 33.57 2jht s VAL 67 CO 0.00 0.03 1.24 -2.65 -0.31 0.00 0.00 175.10 173.40 2jht n PRO 68 N 4.43 1.55 0.13 4.82 -0.02 -1.26 -4.88 135.00 139.78 2jht n PRO 68 Ca 0.14 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 2jht n PRO 68 Cb 0.39 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 2jht n PRO 68 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2jht h ASN 69 N 1.37 0.00 -3.68 2.55 -1.24 -1.94 -3.43 115.58 109.22 2jht h ASN 69 Ca -0.49 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 55.85 2jht h ASN 69 Cb 1.32 0.00 -0.32 0.00 0.73 0.00 0.00 38.32 40.05 2jht h ASN 69 CO 0.56 0.51 -0.88 -0.69 -1.29 0.00 0.00 177.43 175.65 2jht s VAL 70 N -2.95 1.99 -0.25 2.57 1.01 -1.26 0.59 120.40 122.09 2jht s VAL 70 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2jht s VAL 70 Cb 0.08 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.82 2jht s VAL 70 CO 0.75 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 175.70 2jht s VAL 71 N 0.11 1.41 -0.04 2.92 1.01 -0.46 -4.96 120.40 120.39 2jht s VAL 71 Ca -0.11 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 2jht s VAL 71 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2jht s VAL 71 CO 0.06 -0.26 0.97 -0.69 0.00 0.00 0.00 175.10 175.19 2jht s VAL 72 N 1.42 4.85 -0.15 2.92 1.01 -1.26 -0.78 120.40 128.41 2jht s VAL 72 Ca -0.01 2.02 0.11 0.00 0.00 0.00 0.00 61.98 64.11 2jht s VAL 72 Cb -0.18 -4.30 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 2jht s VAL 72 CO -0.09 0.11 0.02 0.35 0.00 0.00 0.00 175.10 175.49 2jht n THR 73 N 4.11 1.01 -3.53 3.92 -2.24 0.49 -4.54 114.28 113.50 2jht n THR 73 Ca 0.07 -0.59 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2jht n THR 73 Cb 0.50 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 2jht n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jht s GLY 74 N -4.95 -0.45 -0.02 3.38 0.00 -1.17 -0.99 107.32 103.12 2jht s GLY 74 Ca -0.10 1.48 0.07 0.00 0.00 0.00 0.00 44.72 46.17 2jht s GLY 74 CO 0.57 0.83 -0.24 -2.27 0.00 0.00 0.00 173.10 172.00 2jht s LEU 75 N -1.46 2.05 -0.00 0.66 0.20 -0.92 -1.16 118.68 118.04 2jht s LEU 75 Ca -0.04 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.34 2jht s LEU 75 Cb -0.00 -1.25 -0.00 0.00 -0.43 0.00 0.00 46.19 44.51 2jht s LEU 75 CO 0.02 0.29 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.46 2jht s THR 76 N -0.54 0.19 -0.25 3.68 2.01 -0.38 -0.47 115.64 119.88 2jht s THR 76 Ca 0.09 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2jht s THR 76 Cb -0.10 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2jht s THR 76 CO -0.01 0.05 0.35 -0.76 -0.69 0.00 0.00 174.62 173.56 2jht s LEU 77 N -0.05 4.08 -0.37 4.42 1.43 0.11 -0.78 118.68 127.51 2jht s LEU 77 Ca 0.01 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 2jht s LEU 77 Cb -0.01 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2jht s LEU 77 CO -0.00 -0.12 0.41 -0.69 0.23 0.00 0.00 176.35 176.18 2jht s VAL 78 N 1.75 5.12 -0.26 -1.59 1.01 0.77 -4.53 120.40 122.66 2jht s VAL 78 Ca 0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2jht s VAL 78 Cb -0.15 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.44 2jht s VAL 78 CO 0.09 -0.21 0.56 0.00 0.00 0.00 0.00 175.10 175.53 2jht n SER 80 N 5.43 0.19 0.08 0.00 3.41 -1.26 -2.62 113.62 118.84 2jht n SER 80 Ca -0.10 -0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.37 2jht n SER 80 Cb 0.49 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 2jht n SER 80 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2jht h SER 81 N 0.15 0.15 -2.30 4.04 0.02 -1.97 -3.47 113.55 110.18 2jht h SER 81 Ca 0.00 -0.14 -0.59 0.00 -0.84 0.00 0.00 61.79 60.21 2jht h SER 81 Cb 0.40 -0.05 0.06 0.00 0.14 0.00 0.00 62.40 62.96 2jht h SER 81 CO 0.00 1.03 0.72 0.00 -1.14 0.00 0.00 176.83 177.44 2jht n ALA 82 N -2.42 1.06 0.26 3.77 0.00 -1.08 -4.88 120.51 117.22 2jht n ALA 82 Ca -0.03 0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.98 2jht n ALA 82 Cb 0.89 -2.30 0.72 0.00 0.00 0.00 0.00 19.45 18.75 2jht n ALA 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jht h PRO 83 N 5.37 0.00 -2.80 0.00 0.13 -1.90 -3.47 132.00 129.34 2jht h PRO 83 Ca -0.45 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2jht h PRO 83 Cb 1.27 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 2jht h PRO 83 CO 0.85 0.12 0.30 0.20 -0.23 0.00 0.00 178.00 179.23 2jht s GLY 84 N -4.20 -0.41 -0.28 1.56 0.00 -1.26 -5.15 107.32 97.58 2jht s GLY 84 Ca -0.03 0.34 -0.43 0.00 0.00 0.00 0.00 44.72 44.60 2jht s GLY 84 CO 0.59 0.11 1.45 -1.55 0.00 0.00 0.00 173.10 173.69 2jht n PRO 85 N -0.39 0.24 -3.76 2.90 -0.04 -1.26 -4.98 135.00 127.71 2jht n PRO 85 Ca -0.11 0.09 -0.35 0.00 -0.04 0.00 0.00 63.50 63.08 2jht n PRO 85 Cb 0.62 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2jht n PRO 85 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jht s LEU 86 N 2.02 5.08 -0.00 1.53 1.43 -1.26 -5.08 118.68 122.39 2jht s LEU 86 Ca 0.99 -2.92 0.04 0.00 -1.03 0.00 0.00 54.13 51.21 2jht s LEU 86 Cb -1.34 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 2jht s LEU 86 CO 0.70 -0.34 -0.13 -1.83 0.23 0.00 0.00 176.35 174.98 2jht s GLU 87 N -0.16 1.04 -0.12 1.70 -1.05 -1.26 -0.71 118.70 118.14 2jht s GLU 87 Ca 0.17 -0.52 -0.02 0.00 -0.15 0.00 0.00 54.97 54.45 2jht s GLU 87 Cb -0.21 -1.01 -0.03 0.00 -0.44 0.00 0.00 34.13 32.44 2jht s GLU 87 CO -0.03 0.27 -0.03 -0.51 0.95 0.00 0.00 175.26 175.92 2jht s LEU 88 N -0.47 3.37 -0.37 1.83 1.43 0.38 -5.01 118.68 119.85 2jht s LEU 88 Ca 0.04 -0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 2jht s LEU 88 Cb -0.06 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2jht s LEU 88 CO -0.00 0.28 0.59 -0.62 0.23 0.00 0.00 176.35 176.83 2jht s ASP 89 N -0.29 6.36 -0.01 2.29 2.15 -1.26 -2.17 116.67 123.73 2jht s ASP 89 Ca 0.05 -0.05 0.09 0.00 0.43 0.00 0.00 52.55 53.07 2jht s ASP 89 Cb -0.12 -2.30 0.27 0.00 -0.30 0.00 0.00 42.92 40.46 2jht s ASP 89 CO 0.02 -0.60 1.18 0.18 -0.17 0.00 0.00 175.17 175.79 2jht n LEU 90 N 5.97 1.76 -0.04 -1.34 4.77 -0.16 -4.07 117.00 123.90 2jht n LEU 90 Ca -0.03 -0.88 -0.14 0.00 -0.03 0.00 0.00 56.01 54.93 2jht n LEU 90 Cb 0.48 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 2jht n LEU 90 CO 0.49 0.39 0.51 0.71 -1.33 0.00 0.00 177.39 178.15 2jht h THR 91 N 1.70 1.57 -0.27 -5.08 1.35 -1.80 -3.47 112.91 106.92 2jht h THR 91 Ca 0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 2jht h THR 91 Cb 0.50 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2jht h THR 91 CO 0.03 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2jht n GLY 92 N 0.88 2.16 3.67 5.82 0.00 -1.26 -5.00 105.19 111.46 2jht n GLY 92 Ca -0.09 -1.78 -0.46 0.00 0.00 0.00 0.00 46.02 43.69 2jht n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jht n ASP 93 N 0.00 3.67 0.17 1.61 2.03 -1.26 -4.86 116.55 117.91 2jht n ASP 93 Ca 0.00 0.92 0.10 0.00 0.52 0.00 0.00 54.79 56.33 2jht n ASP 93 Cb 0.00 -1.43 0.09 0.00 -0.72 0.00 0.00 41.12 39.07 2jht n ASP 93 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2jht h LEU 94 N 9.91 0.00 0.00 -2.67 3.38 -1.94 -3.36 115.31 120.63 2jht h LEU 94 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2jht h LEU 94 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2jht h LEU 94 CO 0.95 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.94 2jht n GLU 95 N -2.98 0.83 -0.01 1.13 -0.58 -1.26 -3.00 120.64 114.76 2jht n GLU 95 Ca 0.02 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.67 2jht n GLU 95 Cb 0.57 -1.38 -0.14 0.00 -0.57 0.00 0.00 31.44 29.93 2jht n GLU 95 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2jht h SER 96 N 0.00 0.01 0.51 1.62 4.64 -1.96 -3.37 113.55 115.00 2jht h SER 96 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2jht h SER 96 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jht h SER 96 CO 0.00 1.03 0.00 0.49 -0.87 0.00 0.00 176.83 177.48 2jht n PHE 97 N -3.08 0.32 0.24 4.77 3.72 -1.16 -2.33 117.46 119.93 2jht n PHE 97 Ca -0.16 0.13 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 2jht n PHE 97 Cb 1.04 -0.71 0.45 0.00 -0.94 0.00 0.00 39.48 39.32 2jht n PHE 97 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2jht h LYS 98 N 0.00 0.00 -0.70 -1.08 6.56 -1.75 -3.12 116.57 116.47 2jht h LYS 98 Ca 0.00 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.10 2jht h LYS 98 Cb 0.26 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 31.59 2jht h LYS 98 CO 0.00 0.06 -0.34 1.63 -2.06 0.00 0.00 179.45 178.74 2jht n LYS 99 N -3.14 3.05 -4.06 3.15 4.01 -0.98 -5.00 118.16 115.18 2jht n LYS 99 Ca 0.02 -3.80 -0.16 0.00 -0.51 0.00 0.00 58.31 53.86 2jht n LYS 99 Cb 0.42 -2.18 -0.04 0.00 -0.51 0.00 0.00 35.03 32.72 2jht n LYS 99 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2jht n GLN 100 N -0.84 0.66 -3.58 1.97 6.02 -1.18 -5.12 117.38 115.31 2jht n GLN 100 Ca 0.45 -2.94 -0.05 0.00 -0.01 0.00 0.00 57.00 54.45 2jht n GLN 100 Cb 0.90 2.74 -0.02 0.00 1.02 0.00 0.00 30.24 34.88 2jht n GLN 100 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2jht s SER 101 N -3.23 -0.18 -0.05 1.08 1.04 -1.26 -4.47 113.70 106.63 2jht s SER 101 Ca 0.31 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.66 2jht s SER 101 Cb -0.00 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 2jht s SER 101 CO 0.22 -0.28 0.30 -0.36 0.98 0.00 0.00 173.24 174.10 2jht s PHE 102 N -2.34 3.67 -0.18 5.02 0.08 -0.80 -4.93 117.98 118.51 2jht s PHE 102 Ca 0.08 0.79 -0.11 0.00 0.12 0.00 0.00 56.93 57.81 2jht s PHE 102 Cb -0.01 -2.14 -0.05 0.00 -0.57 0.00 0.00 43.02 40.25 2jht s PHE 102 CO -0.05 0.68 0.19 0.08 -0.10 0.00 0.00 175.22 176.02 2jht s VAL 103 N -1.07 5.38 -0.05 -0.44 1.01 -1.26 0.88 120.40 124.85 2jht s VAL 103 Ca 0.20 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.56 2jht s VAL 103 Cb -0.15 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jht s VAL 103 CO 0.10 0.44 -0.23 -0.76 0.00 0.00 0.00 175.10 174.65 2jht s LEU 104 N 0.23 2.04 0.20 3.92 1.43 0.61 -4.92 118.68 122.18 2jht s LEU 104 Ca 0.12 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2jht s LEU 104 Cb -0.12 -1.28 -0.09 0.00 0.03 0.00 0.00 46.19 44.73 2jht s LEU 104 CO 0.01 0.23 1.40 -0.75 0.23 0.00 0.00 176.35 177.47 2jht s LYS 105 N -0.17 4.31 0.60 1.70 2.20 -1.26 -1.00 119.74 126.12 2jht s LYS 105 Ca -0.02 2.18 -0.20 0.00 -0.36 0.00 0.00 55.97 57.57 2jht s LYS 105 Cb -0.13 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2jht s LYS 105 CO 0.03 -0.38 1.25 -0.85 -0.36 0.00 0.00 175.35 175.04 2jht n GLU 106 N 2.91 1.29 0.00 4.03 0.28 0.11 -2.91 120.64 126.34 2jht n GLU 106 Ca 0.08 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 2jht n GLU 106 Cb 0.41 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.81 2jht n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jht n GLY 107 N 0.94 3.00 3.76 -1.84 0.00 -0.58 -4.96 105.19 105.51 2jht n GLY 107 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2jht n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jht s VAL 108 N -1.32 2.64 0.08 1.61 -7.23 -1.15 -4.14 120.40 110.89 2jht s VAL 108 Ca 0.00 0.43 -0.27 0.00 -1.81 0.00 0.00 61.98 60.33 2jht s VAL 108 Cb 0.00 -3.19 -0.06 0.00 0.56 0.00 0.00 36.38 33.69 2jht s VAL 108 CO 0.00 -0.06 0.85 -1.61 -0.31 0.00 0.00 175.10 173.97 2jht s GLU 109 N -3.13 4.59 0.16 4.82 2.02 -1.26 0.04 118.70 125.94 2jht s GLU 109 Ca 0.73 1.24 -0.08 0.00 0.02 0.00 0.00 54.97 56.88 2jht s GLU 109 Cb -0.32 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.54 2jht s GLU 109 CO 0.36 0.27 0.25 1.52 0.02 0.00 0.00 175.26 177.69 2jht s TYR 110 N -0.11 0.43 0.15 1.61 1.13 -0.72 -4.61 117.35 115.22 2jht s TYR 110 Ca 0.42 -0.80 0.06 0.00 -1.41 0.00 0.00 57.07 55.34 2jht s TYR 110 Cb -0.22 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 2jht s TYR 110 CO 0.26 -0.69 -0.14 1.03 -2.51 0.00 0.00 175.55 173.51 2jht s ARG 111 N -3.97 1.11 -0.19 -3.49 0.52 -0.22 -1.92 118.95 110.79 2jht s ARG 111 Ca 0.17 -1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 53.96 2jht s ARG 111 Cb 0.04 -0.92 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 2jht s ARG 111 CO -0.01 0.16 -0.00 0.42 0.02 0.00 0.00 175.30 175.89 2jht s ILE 112 N -2.57 3.99 -0.22 1.52 1.01 -1.26 -0.16 121.20 123.51 2jht s ILE 112 Ca 0.14 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 2jht s ILE 112 Cb -0.02 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2jht s ILE 112 CO 0.03 0.44 0.09 -0.75 0.00 0.00 0.00 174.94 174.75 2jht s LYS 113 N 0.89 3.87 -0.14 2.79 2.20 0.04 -1.56 119.74 127.83 2jht s LYS 113 Ca 0.01 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2jht s LYS 113 Cb -0.14 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2jht s LYS 113 CO 0.02 0.04 -0.11 0.42 -0.36 0.00 0.00 175.35 175.36 2jht s ILE 114 N 1.03 3.26 -0.06 5.43 -1.09 0.11 -1.25 121.20 128.63 2jht s ILE 114 Ca 0.05 -0.59 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2jht s ILE 114 Cb -0.14 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 2jht s ILE 114 CO 0.03 0.52 -0.03 -0.44 -1.23 0.00 0.00 174.94 173.79 2jht s SER 115 N 0.37 4.98 0.18 3.58 0.01 -0.30 -0.97 113.70 121.55 2jht s SER 115 Ca -0.09 0.05 -0.20 0.00 1.31 0.00 0.00 55.95 57.02 2jht s SER 115 Cb -0.15 -1.32 0.04 0.00 0.21 0.00 0.00 66.02 64.80 2jht s SER 115 CO 0.05 0.35 0.56 0.72 0.41 0.00 0.00 173.24 175.33 2jht s PHE 116 N -0.90 -0.29 0.03 2.43 -0.71 -0.67 -0.38 117.98 117.49 2jht s PHE 116 Ca 0.14 -0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.08 2jht s PHE 116 Cb -0.11 0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2jht s PHE 116 CO 0.04 -0.90 -0.18 1.03 -1.34 0.00 0.00 175.22 173.87 2jht s ARG 117 N -3.82 1.21 -0.16 1.99 1.81 0.04 -0.82 118.95 119.20 2jht s ARG 117 Ca 0.06 -0.81 -0.01 0.00 -1.72 0.00 0.00 55.73 53.24 2jht s ARG 117 Cb -0.01 -1.26 -0.01 0.00 -0.45 0.00 0.00 34.95 33.21 2jht s ARG 117 CO -0.07 0.32 -0.12 0.08 -0.68 0.00 0.00 175.30 174.84 2jht s VAL 118 N -0.75 3.01 -0.21 3.52 1.01 -1.26 -1.35 120.40 124.37 2jht s VAL 118 Ca 0.05 -0.65 0.14 0.00 0.00 0.00 0.00 61.98 61.52 2jht s VAL 118 Cb -0.08 -2.30 -0.23 0.00 0.00 0.00 0.00 36.38 33.77 2jht s VAL 118 CO 0.01 0.50 0.01 0.59 0.00 0.00 0.00 175.10 176.21 2jht n ASN 119 N 4.00 0.49 0.00 3.32 3.02 0.20 -2.33 115.26 123.95 2jht n ASN 119 Ca -0.18 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2jht n ASN 119 Cb 0.52 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 2jht n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jht n ARG 120 N -2.88 0.41 -3.94 3.52 0.63 -1.26 -4.84 116.66 108.31 2jht n ARG 120 Ca -0.36 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.45 2jht n ARG 120 Cb 1.12 -0.62 -0.00 0.00 0.45 0.00 0.00 32.46 33.41 2jht n ARG 120 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2jht s GLU 121 N -1.24 2.13 0.18 -0.14 -1.05 -1.26 -4.80 118.70 112.52 2jht s GLU 121 Ca 0.00 -1.62 -0.32 0.00 -0.15 0.00 0.00 54.97 52.88 2jht s GLU 121 Cb 0.00 0.55 -0.11 0.00 -0.44 0.00 0.00 34.13 34.12 2jht s GLU 121 CO 0.00 -0.95 1.78 0.42 0.95 0.00 0.00 175.26 177.46 2jht s ILE 122 N -2.55 2.18 -0.24 1.83 1.01 -1.26 -4.26 121.20 117.91 2jht s ILE 122 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 2jht s ILE 122 Cb -0.03 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2jht s ILE 122 CO 0.16 0.00 0.12 0.54 0.00 0.00 0.00 174.94 175.76 2jht s VAL 123 N 1.78 4.94 -0.18 2.92 0.11 -0.41 -4.98 120.40 124.57 2jht s VAL 123 Ca 0.78 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.80 2jht s VAL 123 Cb -0.49 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.03 2jht s VAL 123 CO 0.34 0.34 0.03 -0.55 -3.33 0.00 0.00 175.10 171.93 2jht s SER 124 N 1.26 5.26 -1.27 3.54 0.15 -1.26 -1.78 113.70 119.60 2jht s SER 124 Ca 0.06 -0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 2jht s SER 124 Cb -0.14 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2jht s SER 124 CO 0.05 0.14 1.07 0.61 1.20 0.00 0.00 173.24 176.32 2jht n GLY 125 N 3.72 -0.44 3.77 9.45 0.00 -1.25 -1.74 105.19 118.71 2jht n GLY 125 Ca -0.17 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jht n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jht s MET 126 N -5.76 4.17 -0.00 1.61 -1.94 -0.20 -2.66 119.30 114.52 2jht s MET 126 Ca 0.24 2.40 -0.01 0.00 -1.71 0.00 0.00 55.69 56.61 2jht s MET 126 Cb -0.11 -2.98 -0.00 0.00 2.01 0.00 0.00 34.83 33.75 2jht s MET 126 CO 0.73 -0.41 0.01 0.21 -0.01 0.00 0.00 175.02 175.55 2jht s LYS 127 N -2.01 0.09 -0.17 2.03 2.20 -0.39 -0.42 119.74 121.07 2jht s LYS 127 Ca 0.52 -0.11 -0.04 0.00 -0.36 0.00 0.00 55.97 55.98 2jht s LYS 127 Cb -0.43 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 35.90 2jht s LYS 127 CO 0.58 -0.01 -0.03 -0.47 -0.36 0.00 0.00 175.35 175.06 2jht s TYR 128 N -0.31 3.02 -0.07 4.03 5.04 0.55 -1.46 117.35 128.14 2jht s TYR 128 Ca -0.03 -0.41 0.04 0.00 -2.44 0.00 0.00 57.07 54.23 2jht s TYR 128 Cb -0.02 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.28 2jht s TYR 128 CO -0.00 -0.15 -0.20 0.42 -1.34 0.00 0.00 175.55 174.28 2jht s ILE 129 N 0.66 1.69 -0.14 3.14 1.01 0.26 -0.48 121.20 127.33 2jht s ILE 129 Ca -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2jht s ILE 129 Cb -0.14 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.88 2jht s ILE 129 CO 0.02 0.48 -0.16 -1.58 0.00 0.00 0.00 174.94 173.70 2jht s GLN 130 N 0.24 2.39 -0.31 2.79 0.74 0.42 -1.29 119.66 124.64 2jht s GLN 130 Ca -0.11 -0.60 -0.09 0.00 0.05 0.00 0.00 55.36 54.60 2jht s GLN 130 Cb -0.15 -2.11 -0.01 0.00 1.10 0.00 0.00 33.01 31.85 2jht s GLN 130 CO 0.05 -0.17 0.15 -1.01 -0.55 0.00 0.00 175.29 173.76 2jht s HIS 131 N 1.27 3.17 -0.09 1.67 3.76 0.17 -0.74 115.29 124.50 2jht s HIS 131 Ca 0.01 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 2jht s HIS 131 Cb -0.14 -2.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 2jht s HIS 131 CO -0.08 -0.46 -0.15 0.99 -0.85 0.00 0.00 174.74 174.19 2jht s THR 132 N 1.61 2.90 0.24 1.30 2.01 -0.09 -0.61 115.64 123.00 2jht s THR 132 Ca 0.04 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 2jht s THR 132 Cb -0.17 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 2jht s THR 132 CO 0.06 0.55 0.27 -0.72 -0.69 0.00 0.00 174.62 174.09 2jht s TYR 133 N -0.08 1.03 -0.26 4.92 -0.85 0.07 -1.18 117.35 121.01 2jht s TYR 133 Ca -0.03 -1.25 -0.04 0.00 -0.52 0.00 0.00 57.07 55.24 2jht s TYR 133 Cb -0.14 -0.35 0.14 0.00 0.38 0.00 0.00 41.96 41.99 2jht s TYR 133 CO 0.04 -0.80 0.48 -0.98 -1.52 0.00 0.00 175.55 172.77 2jht s ARG 134 N -3.93 0.44 -0.69 -3.49 1.04 -1.26 0.38 118.95 111.44 2jht s ARG 134 Ca 0.34 0.88 -0.04 0.00 -1.04 0.00 0.00 55.73 55.87 2jht s ARG 134 Cb 0.04 0.14 0.00 0.00 -2.04 0.00 0.00 34.95 33.09 2jht s ARG 134 CO 0.14 -0.51 0.53 0.25 -0.04 0.00 0.00 175.30 175.67 2jht n THR 135 N 5.40 -1.39 -2.00 4.99 -2.24 -1.26 -4.86 114.28 112.91 2jht n THR 135 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2jht n THR 135 Cb 0.50 -2.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.09 2jht n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jht n GLY 136 N -1.23 -4.20 2.41 3.38 0.00 -1.26 -4.90 105.19 99.39 2jht n GLY 136 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 2jht n GLY 136 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jht n VAL 137 N 1.88 -8.22 -0.87 1.61 3.14 -1.26 -4.98 118.33 109.64 2jht n VAL 137 Ca 0.00 1.86 0.00 0.00 -2.96 0.00 0.00 64.34 63.24 2jht n VAL 137 Cb 0.00 -4.52 0.00 0.00 -1.06 0.00 0.00 33.84 28.26 2jht n VAL 137 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2jht n THR 138 N 1.96 0.00 0.00 1.55 -2.24 -1.26 -5.03 114.28 109.26 2jht n THR 138 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2jht n THR 138 Cb 0.13 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 2jht n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jht n ILE 139 N -0.64 0.00 -4.73 2.28 0.00 -0.88 -4.05 119.36 111.33 2jht n ILE 139 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 62.75 62.44 2jht n ILE 139 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 39.64 39.51 2jht n ILE 139 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2jht s ASP 140 N -0.53 3.85 -0.07 9.51 -4.77 -0.32 -4.92 116.67 119.41 2jht s ASP 140 Ca 0.00 -0.36 0.04 0.00 -3.30 0.00 0.00 52.55 48.93 2jht s ASP 140 Cb 0.00 -0.67 -0.01 0.00 -1.09 0.00 0.00 42.92 41.14 2jht s ASP 140 CO 0.00 0.28 -0.20 0.28 0.70 0.00 0.00 175.17 176.23 2jht s THR 141 N -0.87 2.49 0.14 2.11 -1.32 -1.26 -0.91 115.64 116.01 2jht s THR 141 Ca 0.14 -0.90 0.11 0.00 -1.21 0.00 0.00 61.69 59.82 2jht s THR 141 Cb -0.11 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 2jht s THR 141 CO 0.04 0.56 -0.25 -0.89 -2.21 0.00 0.00 174.62 171.87 2jht s THR 142 N -0.15 2.37 0.02 5.08 2.01 0.08 -4.98 115.64 120.06 2jht s THR 142 Ca -0.03 -1.75 -0.00 0.00 0.31 0.00 0.00 61.69 60.22 2jht s THR 142 Cb -0.14 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2jht s THR 142 CO 0.04 0.07 -0.02 1.51 -0.69 0.00 0.00 174.62 175.53 2jht s ASP 143 N -2.15 0.21 -0.01 3.53 -4.77 -1.26 -0.43 116.67 111.78 2jht s ASP 143 Ca 0.15 -0.44 0.01 0.00 -3.30 0.00 0.00 52.55 48.97 2jht s ASP 143 Cb -0.10 0.10 0.01 0.00 -1.09 0.00 0.00 42.92 41.84 2jht s ASP 143 CO 0.07 -0.28 -0.02 -0.31 0.70 0.00 0.00 175.17 175.33 2jht s TYR 144 N -1.35 0.30 0.07 2.11 2.02 0.36 -4.98 117.35 115.88 2jht s TYR 144 Ca -0.15 -0.04 -0.31 0.00 -0.37 0.00 0.00 57.07 56.21 2jht s TYR 144 Cb -0.09 -0.27 -0.07 0.00 -0.40 0.00 0.00 41.96 41.12 2jht s TYR 144 CO -0.01 -0.06 1.47 1.41 -1.57 0.00 0.00 175.55 176.80 2jht s MET 145 N 0.36 4.27 -0.26 -0.62 -2.45 -1.26 -0.33 119.30 119.00 2jht s MET 145 Ca -0.03 2.12 -0.03 0.00 -1.25 0.00 0.00 55.69 56.50 2jht s MET 145 Cb -0.06 -3.43 -0.16 0.00 1.25 0.00 0.00 34.83 32.43 2jht s MET 145 CO -0.01 -0.57 -0.26 0.28 1.05 0.00 0.00 175.02 175.51 2jht n VAL 146 N 4.37 1.50 0.00 10.11 0.31 0.44 -4.90 118.33 130.17 2jht n VAL 146 Ca 0.13 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2jht n VAL 146 Cb 0.42 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2jht n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jht n GLY 147 N 1.95 0.21 3.30 2.92 0.00 -0.68 -4.94 105.19 107.95 2jht n GLY 147 Ca -0.49 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 42.93 2jht n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jht s SER 148 N -4.00 3.42 -0.00 1.61 0.01 -1.26 -1.03 113.70 112.44 2jht s SER 148 Ca 0.00 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 2jht s SER 148 Cb 0.00 -1.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.02 2jht s SER 148 CO 0.00 0.21 0.04 -0.31 0.41 0.00 0.00 173.24 173.59 2jht s TYR 149 N 0.05 0.05 0.59 2.43 2.02 -0.73 -4.99 117.35 116.78 2jht s TYR 149 Ca -0.08 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 2jht s TYR 149 Cb -0.15 -0.05 0.05 0.00 -0.40 0.00 0.00 41.96 41.41 2jht s TYR 149 CO 0.05 -0.11 0.83 0.20 -1.57 0.00 0.00 175.55 174.95 2jht s GLY 150 N -0.60 1.81 0.41 0.71 0.00 -1.26 -1.29 107.32 107.09 2jht s GLY 150 Ca -0.07 -1.41 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 2jht s GLY 150 CO -0.00 -1.06 1.26 2.56 0.00 0.00 0.00 173.10 175.85 2jht s PRO 151 N -4.86 3.98 0.17 2.90 0.04 -1.26 -4.74 135.00 131.24 2jht s PRO 151 Ca 0.59 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.45 2jht s PRO 151 Cb -0.09 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.79 2jht s PRO 151 CO 0.40 -0.45 0.75 -0.98 0.04 0.00 0.00 177.00 176.76 2jht s ARG 152 N -2.27 1.37 0.16 4.56 1.70 -0.99 -5.00 118.95 118.48 2jht s ARG 152 Ca 0.57 -0.65 -0.04 0.00 -0.47 0.00 0.00 55.73 55.14 2jht s ARG 152 Cb -0.36 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.57 2jht s ARG 152 CO 0.45 -0.62 1.40 0.00 -1.08 0.00 0.00 175.30 175.46 2jht h ALA 153 N 2.00 0.53 -2.67 7.88 0.00 -1.96 -3.41 119.26 121.63 2jht h ALA 153 Ca -0.25 -0.61 -0.49 0.00 0.00 0.00 0.00 54.91 53.56 2jht h ALA 153 Cb 1.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jht h ALA 153 CO 0.30 0.75 0.39 -2.00 0.00 0.00 0.00 179.25 178.69 2jht s GLU 154 N -3.63 4.64 0.48 0.00 2.12 -1.26 -4.99 118.70 116.06 2jht s GLU 154 Ca -0.07 1.54 -0.24 0.00 0.36 0.00 0.00 54.97 56.57 2jht s GLU 154 Cb 0.10 -3.05 -0.07 0.00 0.26 0.00 0.00 34.13 31.37 2jht s GLU 154 CO 0.85 0.29 1.37 -2.00 -0.54 0.00 0.00 175.26 175.23 2jht s GLU 155 N -1.63 3.52 -0.01 4.30 2.12 -1.26 -4.84 118.70 120.91 2jht s GLU 155 Ca 0.46 2.27 -0.05 0.00 0.36 0.00 0.00 54.97 58.01 2jht s GLU 155 Cb -0.25 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2jht s GLU 155 CO 0.32 -0.90 0.23 0.71 -0.54 0.00 0.00 175.26 175.08 2jht s TYR 156 N -1.27 3.57 -0.15 5.30 2.02 -0.00 -4.97 117.35 121.84 2jht s TYR 156 Ca 0.65 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.85 2jht s TYR 156 Cb -0.41 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.24 2jht s TYR 156 CO 0.51 0.63 -0.18 -1.21 -1.57 0.00 0.00 175.55 173.73 2jht s GLU 157 N -1.79 2.67 -0.14 -0.62 2.02 -1.26 -1.66 118.70 117.91 2jht s GLU 157 Ca 0.27 -0.71 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 2jht s GLU 157 Cb -0.13 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 2jht s GLU 157 CO 0.16 -0.16 0.03 0.12 0.02 0.00 0.00 175.26 175.43 2jht s PHE 158 N 1.22 3.21 -0.16 1.61 5.36 -0.14 -4.97 117.98 124.11 2jht s PHE 158 Ca 0.01 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 2jht s PHE 158 Cb -0.14 -1.95 -0.00 0.00 -0.34 0.00 0.00 43.02 40.59 2jht s PHE 158 CO -0.09 0.27 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.28 2jht s LEU 159 N -0.15 2.45 0.68 6.12 1.43 -1.26 -0.72 118.68 127.23 2jht s LEU 159 Ca 0.06 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 2jht s LEU 159 Cb -0.12 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.55 2jht s LEU 159 CO 0.02 0.08 1.17 0.42 0.23 0.00 0.00 176.35 178.26 2jht s THR 160 N 0.83 2.73 0.76 5.49 -4.23 -0.60 -4.97 115.64 115.66 2jht s THR 160 Ca -0.05 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 2jht s THR 160 Cb -0.15 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 70.81 2jht s THR 160 CO -0.01 -0.18 1.13 -2.16 -0.54 0.00 0.00 174.62 172.86 2jht s PRO 161 N -3.87 2.11 0.28 3.99 0.04 -1.26 -4.40 135.00 131.88 2jht s PRO 161 Ca 0.72 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2jht s PRO 161 Cb -0.26 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 2jht s PRO 161 CO 0.41 -1.79 1.51 0.28 0.04 0.00 0.00 177.00 177.46 2jht n VAL 162 N -3.22 1.05 -4.36 -0.36 0.31 -1.26 -4.81 118.33 105.68 2jht n VAL 162 Ca 0.11 -0.26 -0.18 0.00 -0.01 0.00 0.00 64.34 64.00 2jht n VAL 162 Cb 0.52 -1.77 -0.10 0.00 -0.91 0.00 0.00 33.84 31.58 2jht n VAL 162 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2jht s GLU 163 N -0.55 1.45 -0.05 5.55 -1.05 -0.81 -5.00 118.70 118.24 2jht s GLU 163 Ca 0.65 -1.77 0.01 0.00 -0.15 0.00 0.00 54.97 53.70 2jht s GLU 163 Cb -0.56 -0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 32.55 2jht s GLU 163 CO 0.50 -0.19 -0.04 -1.21 0.95 0.00 0.00 175.26 175.27 2jht s GLU 164 N -3.93 2.79 0.56 -4.83 2.02 -1.26 -1.75 118.70 112.29 2jht s GLU 164 Ca 0.34 -0.54 -0.19 0.00 0.02 0.00 0.00 54.97 54.60 2jht s GLU 164 Cb 0.07 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 2jht s GLU 164 CO 0.12 0.66 1.12 0.00 0.02 0.00 0.00 175.26 177.18 2jht s ALA 165 N -0.91 2.67 0.65 5.21 0.00 0.11 -4.93 121.76 124.56 2jht s ALA 165 Ca 0.15 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 2jht s ALA 165 Cb -0.11 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2jht s ALA 165 CO 0.04 -0.82 0.58 -2.30 0.00 0.00 0.00 175.76 173.27 2jht n PRO 166 N -1.46 0.45 -4.21 0.00 -0.02 -1.26 -1.84 135.00 126.66 2jht n PRO 166 Ca 0.11 0.19 -0.17 0.00 -2.02 0.00 0.00 63.50 61.61 2jht n PRO 166 Cb 0.51 -1.82 -0.15 0.00 -0.02 0.00 0.00 33.50 32.02 2jht n PRO 166 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jht s LYS 167 N -2.50 0.53 0.00 -0.52 2.20 -1.26 -1.53 119.74 116.66 2jht s LYS 167 Ca 0.68 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 2jht s LYS 167 Cb -0.39 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 2jht s LYS 167 CO 0.55 0.12 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 2jht n GLY 168 N 3.01 2.63 0.00 5.54 0.00 -1.26 -4.68 105.19 110.43 2jht n GLY 168 Ca -0.14 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.17 2jht n GLY 168 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2jht n MET 169 N 0.87 0.79 0.00 1.61 0.00 -1.26 -2.26 117.12 116.87 2jht n MET 169 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 2jht n MET 169 Cb 0.00 -1.37 0.12 0.00 0.00 0.00 0.00 33.22 31.98 2jht n MET 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2jht n LEU 170 N -0.87 1.83 -0.00 3.17 7.99 -1.26 -4.32 117.00 123.54 2jht n LEU 170 Ca 0.14 -0.64 0.04 0.00 -0.01 0.00 0.00 56.01 55.54 2jht n LEU 170 Cb 0.06 -0.03 -0.05 0.00 -0.11 0.00 0.00 43.42 43.29 2jht n LEU 170 CO 0.10 0.34 -0.11 0.00 -1.51 0.00 0.00 177.39 176.21 2jht n ALA 171 N -0.07 2.97 -1.04 -1.18 0.00 -0.96 -5.00 120.51 115.22 2jht n ALA 171 Ca 0.11 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 2jht n ALA 171 Cb 0.44 -0.30 0.19 0.00 0.00 0.00 0.00 19.45 19.79 2jht n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jht s ARG 172 N -1.90 0.09 0.00 0.00 0.52 -1.20 -4.85 118.95 111.60 2jht s ARG 172 Ca 0.02 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 2jht s ARG 172 Cb 0.06 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.84 2jht s ARG 172 CO 0.34 -2.97 0.00 0.41 0.02 0.00 0.00 175.30 173.10 2jht n GLY 173 N -0.71 -0.82 3.80 -3.53 0.00 -0.80 -4.91 105.19 98.22 2jht n GLY 173 Ca 0.05 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 2jht n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jht s SER 174 N -4.00 7.18 -0.03 1.61 0.15 -1.26 -1.63 113.70 115.72 2jht s SER 174 Ca 0.00 1.41 0.06 0.00 0.70 0.00 0.00 55.95 58.13 2jht s SER 174 Cb 0.00 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2jht s SER 174 CO 0.00 0.22 -0.22 -0.31 1.20 0.00 0.00 173.24 174.13 2jht s TYR 175 N -1.18 2.07 -0.13 3.44 1.51 0.67 -4.68 117.35 119.05 2jht s TYR 175 Ca 0.33 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.87 2jht s TYR 175 Cb -0.20 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 2jht s TYR 175 CO 0.22 -0.09 0.07 -1.12 -1.11 0.00 0.00 175.55 173.52 2jht s SER 176 N -0.38 5.78 -0.12 2.29 0.01 0.16 -0.86 113.70 120.58 2jht s SER 176 Ca 0.04 0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.58 2jht s SER 176 Cb -0.10 -1.83 0.01 0.00 0.21 0.00 0.00 66.02 64.31 2jht s SER 176 CO 0.00 0.33 -0.22 -0.63 0.41 0.00 0.00 173.24 173.14 2jht s ILE 177 N -0.59 1.97 -0.35 1.44 1.09 0.14 -0.75 121.20 124.15 2jht s ILE 177 Ca 0.11 -0.94 -0.12 0.00 -1.10 0.00 0.00 60.65 58.60 2jht s ILE 177 Cb -0.12 -1.73 -0.01 0.00 -1.06 0.00 0.00 42.46 39.55 2jht s ILE 177 CO 0.02 0.53 0.22 -0.75 -0.10 0.00 0.00 174.94 174.87 2jht s LYS 178 N 0.66 3.32 0.12 2.79 2.47 0.22 -0.43 119.74 128.89 2jht s LYS 178 Ca -0.11 -0.75 0.02 0.00 -1.56 0.00 0.00 55.97 53.56 2jht s LYS 178 Cb -0.16 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 2jht s LYS 178 CO 0.02 -0.50 0.22 -1.12 0.16 0.00 0.00 175.35 174.13 2jht s SER 179 N 1.67 6.13 -0.17 1.43 0.01 0.37 0.43 113.70 123.58 2jht s SER 179 Ca 0.05 0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.31 2jht s SER 179 Cb -0.18 -1.81 0.05 0.00 0.21 0.00 0.00 66.02 64.30 2jht s SER 179 CO 0.09 0.10 0.44 -0.13 0.41 0.00 0.00 173.24 174.15 2jht s ARG 180 N -2.93 0.48 -0.18 12.44 0.52 -0.41 -1.11 118.95 127.76 2jht s ARG 180 Ca 0.34 0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 56.22 2jht s ARG 180 Cb -0.12 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 2jht s ARG 180 CO 0.27 -0.10 -0.06 0.12 0.02 0.00 0.00 175.30 175.55 2jht s PHE 181 N 0.70 2.95 0.03 -0.53 5.99 0.10 -0.58 117.98 126.66 2jht s PHE 181 Ca -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 56.93 56.30 2jht s PHE 181 Cb -0.05 -1.99 -0.00 0.00 0.00 0.00 0.00 43.02 40.97 2jht s PHE 181 CO -0.05 -0.26 0.03 -2.37 -0.00 0.00 0.00 175.22 172.57 2jht n THR 182 N 4.02 0.00 -3.72 0.12 5.66 -0.54 -1.11 114.28 118.71 2jht n THR 182 Ca -0.18 -0.24 -0.07 0.00 -3.05 0.00 0.00 64.05 60.52 2jht n THR 182 Cb 0.52 0.12 -0.01 0.00 -1.55 0.00 0.00 70.33 69.41 2jht n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2jht n ASP 183 N -2.75 -0.76 0.12 1.09 5.75 -1.24 -1.26 116.55 117.49 2jht n ASP 183 Ca 0.01 -1.90 0.11 0.00 -0.01 0.00 0.00 54.79 52.99 2jht n ASP 183 Cb 0.06 1.38 0.48 0.00 -1.03 0.00 0.00 41.12 42.01 2jht n ASP 183 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2jht n ASP 184 N -1.75 0.54 -0.33 -1.12 5.68 -0.71 -0.75 116.55 118.10 2jht n ASP 184 Ca -0.01 0.67 0.14 0.00 -0.50 0.00 0.00 54.79 55.09 2jht n ASP 184 Cb 0.29 -0.77 0.51 0.00 -1.14 0.00 0.00 41.12 40.01 2jht n ASP 184 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2jht n ASP 185 N -2.14 1.14 -2.60 -1.12 8.00 -1.26 -4.95 116.55 113.62 2jht n ASP 185 Ca 0.01 -1.17 -0.21 0.00 0.71 0.00 0.00 54.79 54.13 2jht n ASP 185 Cb 0.15 0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 2jht n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jht n LYS 186 N -0.29 -3.03 -2.15 -1.24 5.02 0.07 -4.99 118.16 111.56 2jht n LYS 186 Ca 0.17 0.95 -0.41 0.00 -2.02 0.00 0.00 58.31 57.00 2jht n LYS 186 Cb 0.33 -5.67 -0.02 0.00 -0.02 0.00 0.00 35.03 29.65 2jht n LYS 186 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jht s THR 187 N -3.09 2.82 -0.89 -0.18 2.01 -1.26 -4.86 115.64 110.19 2jht s THR 187 Ca 0.13 0.80 -0.23 0.00 0.31 0.00 0.00 61.69 62.70 2jht s THR 187 Cb -0.06 -3.51 0.07 0.00 0.01 0.00 0.00 72.50 69.02 2jht s THR 187 CO 0.16 0.18 1.26 -0.62 -0.69 0.00 0.00 174.62 174.91 2jht s ASP 188 N -0.36 6.42 0.07 3.53 2.15 -1.26 -3.72 116.67 123.49 2jht s ASP 188 Ca 0.50 -1.34 -0.16 0.00 0.43 0.00 0.00 52.55 51.98 2jht s ASP 188 Cb -0.39 -2.50 -0.15 0.00 -0.30 0.00 0.00 42.92 39.58 2jht s ASP 188 CO 0.50 -1.45 1.30 0.45 -0.17 0.00 0.00 175.17 175.80 2jht h HIS 189 N 9.56 0.82 -1.73 -5.34 3.86 -1.48 -3.47 115.15 117.37 2jht h HIS 189 Ca 0.02 -0.32 0.07 0.00 -1.16 0.00 0.00 60.37 58.97 2jht h HIS 189 Cb 1.03 -0.14 -0.21 0.00 1.06 0.00 0.00 27.41 29.15 2jht h HIS 189 CO 1.17 1.10 0.49 -1.17 0.86 0.00 0.00 177.93 180.39 2jht s LEU 190 N -8.67 -0.40 -0.02 2.43 2.96 -1.19 -4.85 118.68 108.94 2jht s LEU 190 Ca -0.12 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2jht s LEU 190 Cb 0.07 1.97 -0.00 0.00 0.50 0.00 0.00 46.19 48.73 2jht s LEU 190 CO 0.84 -0.42 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.89 2jht s SER 191 N -1.35 1.55 0.06 3.68 0.01 -1.26 -0.72 113.70 115.67 2jht s SER 191 Ca -0.02 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 2jht s SER 191 Cb -0.00 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.95 2jht s SER 191 CO 0.01 0.13 0.30 -1.66 0.41 0.00 0.00 173.24 172.43 2jht s TRP 192 N -0.09 -0.08 -0.17 2.43 -2.14 -0.27 -5.00 118.94 113.63 2jht s TRP 192 Ca 0.01 -0.10 0.01 0.00 2.66 0.00 0.00 56.10 58.67 2jht s TRP 192 Cb -0.07 0.09 0.02 0.00 -3.10 0.00 0.00 33.47 30.41 2jht s TRP 192 CO 0.00 -0.52 -0.17 -2.00 -2.66 0.00 0.00 176.95 171.60 2jht s GLU 193 N -2.81 2.65 0.39 3.25 2.56 -1.26 -0.48 118.70 123.01 2jht s GLU 193 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 54.97 54.24 2jht s GLU 193 Cb 0.00 -2.38 -0.03 0.00 2.00 0.00 0.00 34.13 33.72 2jht s GLU 193 CO -0.05 -0.24 0.11 1.67 -0.56 0.00 0.00 175.26 176.19 2jht s TRP 194 N 1.37 1.81 0.07 5.30 1.48 0.43 -4.33 118.94 125.07 2jht s TRP 194 Ca 0.04 -1.21 0.04 0.00 -1.06 0.00 0.00 56.10 53.92 2jht s TRP 194 Cb -0.13 -1.19 -0.03 0.00 -1.16 0.00 0.00 33.47 30.95 2jht s TRP 194 CO -0.12 -0.22 -0.13 -0.80 -4.06 0.00 0.00 176.95 171.63 2jht s ASN 195 N -3.59 1.50 -0.03 -2.66 0.01 -1.26 0.27 114.94 109.17 2jht s ASN 195 Ca 0.26 -0.61 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 2jht s ASN 195 Cb 0.04 -0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.68 2jht s ASN 195 CO 0.14 -0.11 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.34 2jht s LEU 196 N -1.73 1.62 -0.19 0.60 2.96 -0.04 -1.91 118.68 119.99 2jht s LEU 196 Ca -0.03 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2jht s LEU 196 Cb -0.10 -0.44 -0.00 0.00 0.50 0.00 0.00 46.19 46.15 2jht s LEU 196 CO 0.02 0.01 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.06 2jht s THR 197 N 0.46 2.95 -0.24 3.68 2.01 0.25 -0.24 115.64 124.51 2jht s THR 197 Ca -0.06 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 2jht s THR 197 Cb -0.10 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 2jht s THR 197 CO 0.00 0.47 0.19 -0.63 -0.69 0.00 0.00 174.62 173.97 2jht s ILE 198 N 1.20 5.34 0.21 1.82 -1.09 -0.64 -0.29 121.20 127.75 2jht s ILE 198 Ca 0.02 0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.75 2jht s ILE 198 Cb -0.14 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 2jht s ILE 198 CO -0.04 0.33 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.37 2jht s LYS 199 N 1.14 1.31 0.11 2.79 1.02 -0.17 -1.90 119.74 124.03 2jht s LYS 199 Ca 0.09 -1.61 -0.31 0.00 0.02 0.00 0.00 55.97 54.16 2jht s LYS 199 Cb -0.14 -0.89 -0.10 0.00 -0.52 0.00 0.00 37.83 36.18 2jht s LYS 199 CO 0.05 0.06 1.60 0.87 -0.92 0.00 0.00 175.35 177.01 2jht h LYS 200 N 2.54 -0.63 0.00 1.68 1.79 -1.96 0.31 116.57 120.31 2jht h LYS 200 Ca -0.38 0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.52 2jht h LYS 200 Cb 1.22 0.14 -0.11 0.00 -1.58 0.00 0.00 32.23 31.89 2jht h LYS 200 CO 0.64 -0.42 -0.44 -0.25 -1.08 0.00 0.00 179.45 177.90 2jht n ASP 201 N -5.46 3.29 -0.02 0.86 10.43 -1.26 -4.47 116.55 119.92 2jht n ASP 201 Ca -0.07 -3.07 0.16 0.00 2.57 0.00 0.00 54.79 54.37 2jht n ASP 201 Cb 0.37 0.32 0.93 0.00 1.84 0.00 0.00 41.12 44.58 2jht n ASP 201 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92