#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgr s TYR 63 N 0.00 3.32 -0.15 4.31 1.13 -1.26 -1.90 117.35 122.81 1rgr s TYR 63 Ca 0.00 0.25 -0.03 0.00 -1.41 0.00 0.00 57.07 55.88 1rgr s TYR 63 Cb 0.00 -1.93 -0.02 0.00 -1.10 0.00 0.00 41.96 38.90 1rgr s TYR 63 CO 0.00 0.44 -0.06 -1.21 -2.51 0.00 0.00 175.55 172.22 1rgr s GLU 64 N -0.50 3.59 -0.20 -3.49 0.41 -0.08 -4.93 118.70 113.50 1rgr s GLU 64 Ca 0.10 -0.56 -0.14 0.00 -0.41 0.00 0.00 54.97 53.97 1rgr s GLU 64 Cb -0.12 -2.84 -0.04 0.00 -1.78 0.00 0.00 34.13 29.34 1rgr s GLU 64 CO 0.02 0.25 0.30 -1.83 -0.49 0.00 0.00 175.26 173.51 1rgr s GLU 65 N 0.32 4.18 -0.08 1.61 4.04 -1.26 -1.61 118.70 125.89 1rgr s GLU 65 Ca -0.05 0.04 -0.01 0.00 0.04 0.00 0.00 54.97 54.99 1rgr s GLU 65 Cb -0.14 -3.50 0.03 0.00 0.02 0.00 0.00 34.13 30.53 1rgr s GLU 65 CO 0.04 0.08 -0.01 0.42 -1.84 0.00 0.00 175.26 173.94 1rgr s ILE 66 N 0.97 0.52 -0.24 1.83 1.09 0.08 -5.01 121.20 120.45 1rgr s ILE 66 Ca 0.15 0.02 -0.15 0.00 -1.10 0.00 0.00 60.65 59.57 1rgr s ILE 66 Cb -0.14 -0.65 -0.04 0.00 -1.06 0.00 0.00 42.46 40.57 1rgr s ILE 66 CO 0.06 0.27 0.37 -0.89 -0.10 0.00 0.00 174.94 174.65 1rgr s THR 67 N 1.91 5.20 -0.05 2.92 2.01 -1.26 -0.29 115.64 126.09 1rgr s THR 67 Ca 0.05 0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.69 1rgr s THR 67 Cb -0.12 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1rgr s THR 67 CO -0.06 0.21 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.69 1rgr s LEU 68 N 1.66 1.91 -0.34 4.42 0.20 0.02 -5.01 118.68 121.54 1rgr s LEU 68 Ca 0.16 -0.36 -0.28 0.00 0.69 0.00 0.00 54.13 54.35 1rgr s LEU 68 Cb -0.15 -0.98 0.02 0.00 -0.43 0.00 0.00 46.19 44.65 1rgr s LEU 68 CO 0.08 0.15 1.01 -1.61 -0.29 0.00 0.00 176.35 175.69 1rgr s GLU 69 N 0.07 3.98 0.76 1.98 2.02 -1.26 -0.58 118.70 125.67 1rgr s GLU 69 Ca -0.05 0.86 -0.11 0.00 0.02 0.00 0.00 54.97 55.70 1rgr s GLU 69 Cb -0.12 -3.76 0.05 0.00 0.10 0.00 0.00 34.13 30.40 1rgr s GLU 69 CO 0.02 -0.91 1.09 0.50 0.02 0.00 0.00 175.26 175.98 1rgr s ARG 70 N 3.57 2.29 0.00 1.61 3.00 -0.32 -4.67 118.95 124.43 1rgr s ARG 70 Ca 0.42 1.20 0.00 0.00 -1.00 0.00 0.00 55.73 56.35 1rgr s ARG 70 Cb -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 34.95 32.93 1rgr s ARG 70 CO 0.17 -1.63 0.00 0.41 0.00 0.00 0.00 175.30 174.25 1rgr n GLY 71 N -1.11 -1.74 1.19 8.12 0.00 -1.17 -4.85 105.19 105.63 1rgr n GLY 71 Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1rgr n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rgr n ASN 72 N 0.00 0.08 0.13 1.61 3.02 -1.26 -4.87 115.26 113.98 1rgr n ASN 72 Ca 0.00 0.02 0.02 0.00 -0.03 0.00 0.00 54.58 54.59 1rgr n ASN 72 Cb 0.00 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1rgr n ASN 72 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1rgr h SER 73 N 0.00 0.00 0.00 6.41 4.64 -2.04 -3.48 113.55 119.08 1rgr h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rgr h SER 73 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rgr h SER 73 CO 0.00 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1rgr n GLY 74 N 1.22 5.03 0.00 -0.77 0.00 -1.26 -5.14 105.19 104.27 1rgr n GLY 74 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1rgr n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rgr n LEU 75 N 0.00 0.00 0.00 0.99 4.32 -1.26 -3.02 117.00 118.02 1rgr n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1rgr n LEU 75 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1rgr n LEU 75 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1rgr n GLY 76 N 3.57 0.08 3.64 -0.72 0.00 -1.26 -1.08 105.19 109.41 1rgr n GLY 76 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1rgr n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rgr s PHE 77 N -0.15 -0.58 -0.19 1.61 -0.12 -1.26 -1.47 117.98 115.81 1rgr s PHE 77 Ca 0.00 1.34 -0.15 0.00 -0.05 0.00 0.00 56.93 58.07 1rgr s PHE 77 Cb 0.00 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1rgr s PHE 77 CO 0.00 -0.28 0.36 -1.12 -0.05 0.00 0.00 175.22 174.13 1rgr s SER 78 N 0.58 6.43 -0.13 1.98 0.01 0.51 -4.85 113.70 118.23 1rgr s SER 78 Ca -0.01 0.51 -0.17 0.00 1.31 0.00 0.00 55.95 57.59 1rgr s SER 78 Cb -0.05 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1rgr s SER 78 CO -0.08 -0.02 0.41 0.27 0.41 0.00 0.00 173.24 174.23 1rgr s ILE 79 N 1.04 5.22 0.15 1.44 -4.36 -1.26 -2.11 121.20 121.32 1rgr s ILE 79 Ca 0.18 0.81 -0.01 0.00 -0.26 0.00 0.00 60.65 61.37 1rgr s ILE 79 Cb -0.14 -3.75 0.03 0.00 1.25 0.00 0.00 42.46 39.85 1rgr s ILE 79 CO 0.07 0.36 0.21 0.00 0.24 0.00 0.00 174.94 175.82 1rgr n ALA 80 N 3.55 -0.10 -2.39 2.27 0.00 -0.03 -4.87 120.51 118.94 1rgr n ALA 80 Ca -0.09 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 1rgr n ALA 80 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1rgr n ALA 80 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rgr s GLY 81 N -3.16 1.47 0.00 0.00 0.00 -1.26 -3.61 107.32 100.76 1rgr s GLY 81 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1rgr s GLY 81 CO 0.09 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.17 1rgr n GLY 82 N -2.10 4.12 0.34 0.20 0.00 0.12 -4.11 105.19 103.75 1rgr n GLY 82 Ca -0.01 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 44.08 1rgr n GLY 82 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rgr h THR 83 N 0.11 0.62 -0.43 2.61 1.35 -1.15 -2.49 112.91 113.54 1rgr h THR 83 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1rgr h THR 83 Cb 0.00 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.36 1rgr h THR 83 CO 0.00 0.12 0.00 0.47 -0.25 0.00 0.00 175.52 175.86 1rgr n ASP 84 N -4.86 2.89 -3.13 5.36 9.92 -1.26 -4.65 116.55 120.82 1rgr n ASP 84 Ca 0.23 -1.94 0.01 0.00 -0.53 0.00 0.00 54.79 52.57 1rgr n ASP 84 Cb 0.61 -0.28 -0.01 0.00 -0.64 0.00 0.00 41.12 40.81 1rgr n ASP 84 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1rgr s ASN 85 N -1.28 -1.33 -0.20 -2.24 2.47 -0.96 -5.05 114.94 106.34 1rgr s ASN 85 Ca 0.37 -0.63 -0.06 0.00 0.42 0.00 0.00 52.86 52.96 1rgr s ASN 85 Cb 0.20 1.71 -0.03 0.00 -1.45 0.00 0.00 41.25 41.68 1rgr s ASN 85 CO 0.28 -0.15 0.04 -2.16 -3.72 0.00 0.00 177.10 171.39 1rgr s PRO 86 N 1.92 3.77 -0.06 0.43 0.04 -1.07 -0.70 135.00 139.33 1rgr s PRO 86 Ca 0.16 -0.44 0.21 0.00 0.04 0.00 0.00 61.00 60.96 1rgr s PRO 86 Cb -0.03 -3.19 -0.32 0.00 0.04 0.00 0.00 34.50 31.01 1rgr s PRO 86 CO -0.09 0.08 0.39 1.58 0.04 0.00 0.00 177.00 179.00 1rgr n HIS 87 N 4.10 0.00 -3.90 0.56 -0.00 -1.26 -4.99 115.22 109.72 1rgr n HIS 87 Ca -0.17 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.93 1rgr n HIS 87 Cb 0.52 -0.58 -0.07 0.00 -0.12 0.00 0.00 29.99 29.73 1rgr n HIS 87 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1rgr s ILE 88 N -3.29 0.14 0.00 3.57 1.09 -1.26 -5.06 121.20 116.38 1rgr s ILE 88 Ca -0.08 -1.29 0.00 0.00 -1.10 0.00 0.00 60.65 58.18 1rgr s ILE 88 Cb 0.12 -1.45 0.00 0.00 -1.06 0.00 0.00 42.46 40.07 1rgr s ILE 88 CO 0.88 -0.62 0.00 0.61 -0.10 0.00 0.00 174.94 175.71 1rgr n GLY 89 N -0.07 -0.25 0.01 6.18 0.00 -1.26 -4.44 105.19 105.36 1rgr n GLY 89 Ca -0.13 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.25 1rgr n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rgr n ASP 90 N -1.16 0.10 0.14 1.61 8.00 -1.26 -4.81 116.55 119.17 1rgr n ASP 90 Ca 0.00 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1rgr n ASP 90 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rgr n ASP 91 N -1.59 -2.52 0.00 -2.24 2.03 -1.26 -5.17 116.55 105.79 1rgr n ASP 91 Ca 0.06 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.07 1rgr n ASP 91 Cb 0.33 2.52 0.00 0.00 -0.72 0.00 0.00 41.12 43.25 1rgr n ASP 91 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1rgr n PRO 92 N -3.17 0.00 -0.56 -0.67 -0.04 -1.26 -4.73 135.00 124.57 1rgr n PRO 92 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1rgr n PRO 92 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1rgr n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rgr n SER 93 N 0.00 -2.15 -4.76 3.54 7.64 -1.16 -4.22 113.62 112.50 1rgr n SER 93 Ca 0.00 0.03 -0.40 0.00 1.01 0.00 0.00 58.87 59.51 1rgr n SER 93 Cb 0.00 -1.09 -0.06 0.00 -1.01 0.00 0.00 64.21 62.05 1rgr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rgr s ILE 94 N -0.01 4.14 0.12 0.44 -1.09 -1.05 -4.38 121.20 119.38 1rgr s ILE 94 Ca 0.00 1.99 0.09 0.00 -2.23 0.00 0.00 60.65 60.50 1rgr s ILE 94 Cb 0.00 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1rgr s ILE 94 CO 0.00 0.48 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.60 1rgr s PHE 95 N -1.21 1.98 -0.42 3.97 0.40 -1.24 -2.22 117.98 119.25 1rgr s PHE 95 Ca 0.41 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 1rgr s PHE 95 Cb -0.25 -1.06 0.05 0.00 0.51 0.00 0.00 43.02 42.27 1rgr s PHE 95 CO 0.30 0.28 0.28 0.42 0.70 0.00 0.00 175.22 177.20 1rgr s ILE 96 N -1.26 4.76 -0.36 0.64 1.01 -0.89 -0.85 121.20 124.24 1rgr s ILE 96 Ca 0.11 -1.03 0.22 0.00 0.00 0.00 0.00 60.65 59.95 1rgr s ILE 96 Cb -0.09 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.42 1rgr s ILE 96 CO 0.05 -0.41 0.82 0.41 0.00 0.00 0.00 174.94 175.82 1rgr n THR 97 N 5.05 0.18 -4.08 2.92 -1.04 -0.90 -0.29 114.28 116.13 1rgr n THR 97 Ca -0.11 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.05 61.44 1rgr n THR 97 Cb 0.45 0.10 -0.10 0.00 -1.82 0.00 0.00 70.33 68.95 1rgr n THR 97 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rgr s LYS 98 N -3.33 0.58 -0.11 -2.82 2.20 -0.92 -4.88 119.74 110.45 1rgr s LYS 98 Ca -0.01 -1.10 0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1rgr s LYS 98 Cb 0.13 0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1rgr s LYS 98 CO 0.84 -0.08 -0.22 0.96 -0.36 0.00 0.00 175.35 176.50 1rgr s ILE 99 N -3.29 2.27 0.08 5.43 -4.36 -1.26 -0.37 121.20 119.70 1rgr s ILE 99 Ca 0.02 -0.94 -0.30 0.00 -0.26 0.00 0.00 60.65 59.17 1rgr s ILE 99 Cb 0.03 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 1rgr s ILE 99 CO -0.07 0.55 1.02 -0.63 0.24 0.00 0.00 174.94 176.05 1rgr s ILE 100 N 0.35 4.45 0.24 8.37 1.09 -0.54 -4.85 121.20 130.31 1rgr s ILE 100 Ca -0.17 1.91 -0.31 0.00 -1.10 0.00 0.00 60.65 60.99 1rgr s ILE 100 Cb -0.18 -4.22 -0.11 0.00 -1.06 0.00 0.00 42.46 36.89 1rgr s ILE 100 CO 0.08 0.23 1.56 -2.84 -0.10 0.00 0.00 174.94 173.87 1rgr s PRO 101 N 0.40 4.19 0.00 2.79 0.02 -1.26 -2.14 135.00 139.00 1rgr s PRO 101 Ca 0.50 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.97 1rgr s PRO 101 Cb -0.24 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1rgr s PRO 101 CO 0.30 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1rgr n GLY 102 N 2.77 0.44 0.92 0.52 0.00 -1.26 -5.03 105.19 103.55 1rgr n GLY 102 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1rgr n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rgr n GLY 103 N -1.67 -0.78 0.08 -0.02 0.00 -0.91 -4.79 105.19 97.10 1rgr n GLY 103 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1rgr n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgr h ALA 104 N -1.62 0.13 -0.01 4.61 0.00 -1.23 -0.81 119.26 120.33 1rgr h ALA 104 Ca -0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1rgr h ALA 104 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rgr h ALA 104 CO 0.07 -0.28 -0.50 0.00 0.00 0.00 0.00 179.25 178.54 1rgr h ALA 105 N 0.88 1.16 -0.62 0.00 0.00 -1.84 -0.80 119.26 118.03 1rgr h ALA 105 Ca 0.03 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1rgr h ALA 105 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1rgr h ALA 105 CO -0.00 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.95 1rgr h ALA 106 N 1.48 0.83 0.59 0.00 0.00 -1.71 -3.12 119.26 117.34 1rgr h ALA 106 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1rgr h ALA 106 Cb 0.89 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1rgr h ALA 106 CO 0.07 0.62 -0.28 0.37 0.00 0.00 0.00 179.25 180.02 1rgr h GLN 107 N 0.96 -0.76 -0.94 0.00 -0.00 -0.98 -3.36 115.11 110.03 1rgr h GLN 107 Ca 0.19 0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.92 1rgr h GLN 107 Cb 0.47 0.17 -0.06 0.00 0.00 0.00 0.00 27.48 28.07 1rgr h GLN 107 CO 0.02 -0.51 0.61 0.22 0.00 0.00 0.00 178.83 179.17 1rgr h ASP 108 N -1.07 1.02 0.00 -0.69 3.58 -1.31 -3.48 116.42 114.47 1rgr h ASP 108 Ca -0.08 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1rgr h ASP 108 Cb 0.61 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1rgr h ASP 108 CO 0.13 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.80 1rgr n GLY 109 N -1.35 2.01 2.63 -0.78 0.00 -1.18 -5.02 105.19 101.51 1rgr n GLY 109 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1rgr n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rgr n ARG 110 N 0.00 1.13 -0.05 1.61 3.00 -1.26 -4.12 116.66 116.97 1rgr n ARG 110 Ca 0.00 -3.15 0.02 0.00 -0.01 0.00 0.00 57.85 54.71 1rgr n ARG 110 Cb 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 32.46 31.33 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1rgr n LEU 111 N -0.08 0.53 -0.27 0.55 -0.00 -1.26 -5.02 117.00 111.46 1rgr n LEU 111 Ca 0.09 -0.27 0.03 0.00 -0.00 0.00 0.00 56.01 55.87 1rgr n LEU 111 Cb 0.81 -0.07 -0.01 0.00 -0.00 0.00 0.00 43.42 44.15 1rgr n LEU 111 CO 0.24 0.13 -0.10 0.54 -0.00 0.00 0.00 177.39 178.21 1rgr n ARG 112 N -0.21 -0.59 -0.01 1.47 1.74 -1.26 -4.61 116.66 113.18 1rgr n ARG 112 Ca 0.04 0.46 -0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1rgr n ARG 112 Cb 0.09 -0.70 -0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1rgr n ARG 112 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1rgr n VAL 113 N -2.69 -0.02 0.00 1.55 0.24 -1.26 -4.90 118.33 111.24 1rgr n VAL 113 Ca -0.01 0.64 0.00 0.00 -2.04 0.00 0.00 64.34 62.93 1rgr n VAL 113 Cb 0.12 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1rgr n VAL 113 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1rgr n ASN 114 N -2.58 0.00 0.00 -1.34 2.85 -1.13 -4.79 115.26 108.28 1rgr n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1rgr n ASN 114 Cb 0.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.03 1rgr n ASN 114 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1rgr n ASP 115 N 0.00 0.00 -3.94 1.20 -0.08 0.60 -4.35 116.55 109.98 1rgr n ASP 115 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1rgr n ASP 115 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1rgr n ASP 115 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1rgr n SER 116 N 8.28 6.10 -4.63 1.67 7.64 -1.26 -2.10 113.62 129.32 1rgr n SER 116 Ca 0.00 -3.33 -0.43 0.00 1.01 0.00 0.00 58.87 56.12 1rgr n SER 116 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 1rgr n SER 116 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1rgr s ILE 117 N -1.92 3.54 -0.23 0.44 1.10 -0.94 -2.92 121.20 120.27 1rgr s ILE 117 Ca 0.34 0.61 0.01 0.00 -0.51 0.00 0.00 60.65 61.10 1rgr s ILE 117 Cb 0.07 -3.52 -0.15 0.00 0.15 0.00 0.00 42.46 39.01 1rgr s ILE 117 CO 0.07 -0.20 -0.21 0.00 -2.11 0.00 0.00 174.94 172.49 1rgr n LEU 118 N 8.51 2.91 -3.95 8.50 -0.00 -0.45 -3.80 117.00 128.73 1rgr n LEU 118 Ca 0.20 -0.10 -0.11 0.00 -0.00 0.00 0.00 56.01 55.99 1rgr n LEU 118 Cb 0.44 -0.80 -0.12 0.00 -0.00 0.00 0.00 43.42 42.94 1rgr n LEU 118 CO 0.65 0.87 -0.37 -0.36 -0.00 0.00 0.00 177.39 178.18 1rgr s PHE 119 N -2.46 0.26 -0.16 1.47 0.08 -1.21 -1.20 117.98 114.76 1rgr s PHE 119 Ca -0.31 -0.30 -0.02 0.00 0.12 0.00 0.00 56.93 56.42 1rgr s PHE 119 Cb 0.08 -0.17 0.05 0.00 -0.57 0.00 0.00 43.02 42.41 1rgr s PHE 119 CO 0.53 -0.09 0.00 0.08 -0.10 0.00 0.00 175.22 175.64 1rgr s VAL 120 N -0.82 0.69 0.00 -0.44 1.01 -1.23 -1.68 120.40 117.94 1rgr s VAL 120 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1rgr s VAL 120 Cb -0.06 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1rgr s VAL 120 CO -0.00 -0.02 0.00 0.59 0.00 0.00 0.00 175.10 175.66 1rgr n ASN 121 N 5.01 0.00 0.00 3.32 3.02 0.42 -2.16 115.26 124.87 1rgr n ASN 121 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1rgr n ASN 121 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1rgr n ASN 121 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rgr n GLU 122 N 0.00 0.00 -2.16 3.52 -0.58 -1.26 -4.94 120.64 115.22 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1rgr n GLU 122 Cb 0.00 -0.05 -0.02 0.00 -0.57 0.00 0.00 31.44 30.79 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1rgr s VAL 123 N 0.00 2.82 -1.41 2.62 1.01 -0.92 -4.94 120.40 119.58 1rgr s VAL 123 Ca 0.00 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.66 1rgr s VAL 123 Cb 0.00 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1rgr s VAL 123 CO 0.00 0.19 2.10 -0.90 0.00 0.00 0.00 175.10 176.49 1rgr n ASP 124 N 0.92 4.21 0.00 3.32 5.75 -1.26 -3.50 116.55 125.99 1rgr n ASP 124 Ca 0.00 -2.90 0.00 0.00 -0.01 0.00 0.00 54.79 51.89 1rgr n ASP 124 Cb 0.42 -1.64 0.00 0.00 -1.03 0.00 0.00 41.12 38.87 1rgr n ASP 124 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1rgr n VAL 125 N 4.94 0.00 0.00 2.12 0.24 -1.25 -4.83 118.33 119.55 1rgr n VAL 125 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.79 1rgr n VAL 125 Cb 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1rgr n VAL 125 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1rgr n ARG 126 N 0.00 0.00 -2.05 7.34 1.85 -0.34 -3.32 116.66 120.15 1rgr n ARG 126 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1rgr n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1rgr n ARG 126 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1rgr n GLU 127 N 0.00 3.06 -4.06 2.89 2.13 -1.26 -2.53 120.64 120.87 1rgr n GLU 127 Ca 0.00 -2.93 -0.10 0.00 0.66 0.00 0.00 57.16 54.79 1rgr n GLU 127 Cb 0.00 -3.27 -0.08 0.00 0.27 0.00 0.00 31.44 28.36 1rgr n GLU 127 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1rgr s VAL 128 N 2.93 0.03 0.25 6.31 0.11 -1.21 -4.96 120.40 123.86 1rgr s VAL 128 Ca 0.47 -1.62 -0.31 0.00 -2.93 0.00 0.00 61.98 57.59 1rgr s VAL 128 Cb 0.11 -2.14 -0.12 0.00 -1.53 0.00 0.00 36.38 32.69 1rgr s VAL 128 CO -0.04 -0.15 1.65 0.41 -3.33 0.00 0.00 175.10 173.64 1rgr n THR 129 N -0.26 0.55 -0.33 5.04 -1.04 -1.26 -0.62 114.28 116.36 1rgr n THR 129 Ca -0.03 -0.14 0.32 0.00 -2.04 0.00 0.00 64.05 62.16 1rgr n THR 129 Cb 0.64 -1.94 0.68 0.00 -1.82 0.00 0.00 70.33 67.89 1rgr n THR 129 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1rgr h HIS 130 N 5.65 0.19 -0.76 -1.42 2.07 -1.89 -2.11 115.15 116.89 1rgr h HIS 130 Ca -0.45 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.05 1rgr h HIS 130 Cb 1.22 -0.05 -0.04 0.00 2.57 0.00 0.00 27.41 31.11 1rgr h HIS 130 CO 0.61 0.01 0.38 0.77 -3.07 0.00 0.00 177.93 176.63 1rgr h SER 131 N 0.11 0.96 0.10 3.10 0.02 -1.96 0.68 113.55 116.55 1rgr h SER 131 Ca 0.58 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 61.31 1rgr h SER 131 Cb 2.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1rgr h SER 131 CO -0.10 0.80 -0.41 0.00 -1.14 0.00 0.00 176.83 175.98 1rgr h ALA 132 N 1.35 0.97 0.20 3.77 0.00 -1.78 -2.07 119.26 121.71 1rgr h ALA 132 Ca 0.26 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1rgr h ALA 132 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rgr h ALA 132 CO -0.04 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 1rgr h ALA 133 N 1.23 -0.27 -0.67 0.00 0.00 -1.32 -0.49 119.26 117.75 1rgr h ALA 133 Ca 0.03 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1rgr h ALA 133 Cb 0.86 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 1rgr h ALA 133 CO 0.07 -0.52 0.14 -0.24 0.00 0.00 0.00 179.25 178.70 1rgr h VAL 134 N -0.53 0.57 -0.22 0.00 3.04 -1.00 0.47 116.25 118.59 1rgr h VAL 134 Ca -0.03 -0.09 0.05 0.00 -1.01 0.00 0.00 66.70 65.62 1rgr h VAL 134 Cb 0.40 0.29 -0.05 0.00 -2.01 0.00 0.00 31.29 29.92 1rgr h VAL 134 CO 0.05 0.05 -0.08 -0.08 -1.01 0.00 0.00 177.57 176.49 1rgr h GLU 135 N 0.25 -0.04 -0.17 4.17 4.81 -1.34 -0.94 114.58 121.32 1rgr h GLU 135 Ca 0.36 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1rgr h GLU 135 Cb 0.58 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1rgr h GLU 135 CO -0.46 -0.03 0.01 0.00 -0.73 0.00 0.00 179.01 177.80 1rgr h ALA 136 N 1.16 1.71 0.15 2.92 0.00 -0.70 0.36 119.26 124.86 1rgr h ALA 136 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rgr h ALA 136 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rgr h ALA 136 CO -0.25 0.22 -0.09 -0.07 0.00 0.00 0.00 179.25 179.07 1rgr h LEU 137 N 0.24 -0.22 -0.43 0.00 -0.00 -0.60 -0.75 115.31 113.56 1rgr h LEU 137 Ca 0.06 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.87 1rgr h LEU 137 Cb 0.15 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 1rgr h LEU 137 CO 0.00 -0.14 -0.06 0.11 -0.00 0.00 0.00 178.44 178.35 1rgr h LYS 138 N -0.23 0.81 0.00 1.13 1.57 -1.02 -3.21 116.57 115.62 1rgr h LYS 138 Ca -0.01 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1rgr h LYS 138 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1rgr h LYS 138 CO 0.02 0.90 0.00 -1.91 -0.57 0.00 0.00 179.45 177.89 1rgr n GLU 139 N -4.34 0.10 0.33 3.15 4.07 0.13 -2.34 120.64 121.74 1rgr n GLU 139 Ca -0.00 0.35 0.15 0.00 -0.06 0.00 0.00 57.16 57.60 1rgr n GLU 139 Cb 0.34 -1.70 0.81 0.00 -0.06 0.00 0.00 31.44 30.83 1rgr n GLU 139 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1rgr h ALA 140 N 2.36 1.32 0.00 4.31 0.00 -1.13 -3.49 119.26 122.63 1rgr h ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rgr h ALA 140 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rgr h ALA 140 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.34 1rgr n GLY 141 N -1.22 0.44 0.00 0.00 0.00 -0.99 -3.53 105.19 99.90 1rgr n GLY 141 Ca -0.02 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 45.02 1rgr n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rgr n SER 142 N 3.31 0.00 -3.45 1.61 7.64 -1.26 -4.65 113.62 116.81 1rgr n SER 142 Ca 0.00 0.08 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 1rgr n SER 142 Cb 0.00 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 62.80 1rgr n SER 142 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1rgr s ILE 143 N -2.58 -0.45 -0.33 0.44 -0.00 -1.23 -1.17 121.20 115.88 1rgr s ILE 143 Ca 0.15 -0.07 -0.26 0.00 -0.00 0.00 0.00 60.65 60.47 1rgr s ILE 143 Cb 0.10 -0.72 0.01 0.00 -0.00 0.00 0.00 42.46 41.86 1rgr s ILE 143 CO 0.24 -0.15 0.90 0.68 -0.00 0.00 0.00 174.94 176.62 1rgr s VAL 144 N 2.42 4.66 -0.50 8.37 -7.23 0.25 -4.75 120.40 123.62 1rgr s VAL 144 Ca 0.09 1.31 -0.21 0.00 -1.81 0.00 0.00 61.98 61.35 1rgr s VAL 144 Cb -0.15 -4.28 0.04 0.00 0.56 0.00 0.00 36.38 32.55 1rgr s VAL 144 CO -0.13 -0.40 0.74 -0.60 -0.31 0.00 0.00 175.10 174.40 1rgr s ARG 145 N 3.30 3.26 -0.11 4.82 6.06 -1.26 -0.80 118.95 134.21 1rgr s ARG 145 Ca 0.37 -0.48 -0.02 0.00 -2.50 0.00 0.00 55.73 53.10 1rgr s ARG 145 Cb -0.13 -4.03 -0.03 0.00 0.06 0.00 0.00 34.95 30.82 1rgr s ARG 145 CO 0.15 -1.24 -0.02 -0.51 -2.50 0.00 0.00 175.30 171.18 1rgr s LEU 146 N 3.15 3.38 -0.16 -0.88 1.43 0.60 -0.43 118.68 125.78 1rgr s LEU 146 Ca 0.23 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1rgr s LEU 146 Cb -0.15 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.31 1rgr s LEU 146 CO 0.17 0.29 -0.11 -0.31 0.23 0.00 0.00 176.35 176.61 1rgr s TYR 147 N -0.33 2.10 -0.14 0.29 2.02 -0.67 -0.74 117.35 119.87 1rgr s TYR 147 Ca 0.06 -1.24 0.01 0.00 -0.37 0.00 0.00 57.07 55.53 1rgr s TYR 147 Cb -0.12 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1rgr s TYR 147 CO 0.02 -0.66 -0.16 0.54 -1.57 0.00 0.00 175.55 173.72 1rgr s VAL 148 N 1.51 1.69 -0.15 0.71 0.11 -0.64 -1.33 120.40 122.30 1rgr s VAL 148 Ca 0.03 -0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1rgr s VAL 148 Cb -0.14 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1rgr s VAL 148 CO -0.09 0.48 0.08 -0.32 -3.33 0.00 0.00 175.10 171.92 1rgr s MET 149 N 1.26 3.66 -0.43 1.54 1.75 -1.15 -0.90 119.30 125.04 1rgr s MET 149 Ca 0.01 -0.27 -0.15 0.00 -1.25 0.00 0.00 55.69 54.02 1rgr s MET 149 Cb -0.14 -3.16 0.04 0.00 2.84 0.00 0.00 34.83 34.41 1rgr s MET 149 CO -0.08 0.51 0.34 1.03 -0.65 0.00 0.00 175.02 176.17 1rgr s ARG 150 N -0.29 2.98 -0.52 4.11 3.00 -0.80 -4.62 118.95 122.81 1rgr s ARG 150 Ca 0.09 -1.11 0.02 0.00 0.00 0.00 0.00 55.73 54.73 1rgr s ARG 150 Cb -0.12 -4.03 0.43 0.00 0.00 0.00 0.00 34.95 31.23 1rgr s ARG 150 CO 0.01 -0.84 1.56 -2.13 0.00 0.00 0.00 175.30 173.91 1rgr n ARG 151 N 5.19 3.16 -0.10 3.54 0.63 -1.26 -2.85 116.66 124.97 1rgr n ARG 151 Ca -0.11 -3.87 -0.17 0.00 -0.92 0.00 0.00 57.85 52.77 1rgr n ARG 151 Cb 0.46 -2.28 -0.07 0.00 0.45 0.00 0.00 32.46 31.02 1rgr n ARG 151 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1rgr n LYS 152 N -0.70 0.54 -0.19 -0.14 5.02 -1.26 -4.49 118.16 116.94 1rgr n LYS 152 Ca 0.50 0.45 -0.01 0.00 -2.02 0.00 0.00 58.31 57.23 1rgr n LYS 152 Cb 0.70 -1.64 0.07 0.00 -0.02 0.00 0.00 35.03 34.14 1rgr n LYS 152 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1rgr h PRO 153 N -1.00 0.03 0.00 1.97 0.11 -2.04 -3.54 132.00 127.53 1rgr h PRO 153 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1rgr h PRO 153 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rgr h PRO 153 CO -0.18 0.02 0.00 -2.30 -0.21 0.00 0.00 178.00 175.34