#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 1.85 -0.22 -0.32 1.13 -1.26 -2.17 117.35 116.36 1rgr s TYR 63 Ca 0.00 -0.47 -0.12 0.00 -1.41 0.00 0.00 57.07 55.07 1rgr s TYR 63 Cb 0.00 -1.22 -0.05 0.00 -1.10 0.00 0.00 41.96 39.59 1rgr s TYR 63 CO 0.00 -0.13 0.22 -1.21 -2.51 0.00 0.00 175.55 171.92 1rgr s GLU 64 N -0.18 4.13 -0.17 -3.49 2.02 0.20 -4.90 118.70 116.32 1rgr s GLU 64 Ca 0.00 -0.13 -0.21 0.00 0.02 0.00 0.00 54.97 54.66 1rgr s GLU 64 Cb -0.10 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 1rgr s GLU 64 CO 0.01 0.10 0.61 -1.83 0.02 0.00 0.00 175.26 174.17 1rgr s GLU 65 N 0.94 4.26 -0.06 1.61 1.03 -1.26 -2.05 118.70 123.16 1rgr s GLU 65 Ca 0.11 0.61 0.03 0.00 0.03 0.00 0.00 54.97 55.75 1rgr s GLU 65 Cb -0.13 -3.54 0.01 0.00 -0.80 0.00 0.00 34.13 29.67 1rgr s GLU 65 CO 0.04 -0.13 -0.15 0.42 -1.33 0.00 0.00 175.26 174.10 1rgr s ILE 66 N 1.54 1.36 -0.24 1.83 1.01 0.08 -5.01 121.20 121.77 1rgr s ILE 66 Ca 0.29 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 1rgr s ILE 66 Cb -0.16 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1rgr s ILE 66 CO 0.11 0.40 0.06 -0.89 0.00 0.00 0.00 174.94 174.62 1rgr s THR 67 N 0.40 4.24 0.05 2.92 2.01 -1.26 -0.80 115.64 123.21 1rgr s THR 67 Ca -0.12 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1rgr s THR 67 Cb -0.15 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1rgr s THR 67 CO 0.04 0.36 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.90 1rgr s LEU 68 N 1.52 2.18 0.35 4.42 2.96 -0.25 -4.96 118.68 124.90 1rgr s LEU 68 Ca 0.06 -0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 53.17 1rgr s LEU 68 Cb -0.15 -0.95 -0.09 0.00 0.50 0.00 0.00 46.19 45.50 1rgr s LEU 68 CO 0.03 0.14 1.04 -1.83 -1.32 0.00 0.00 176.35 174.42 1rgr s GLU 69 N -1.27 4.37 -0.69 1.98 -1.05 -1.26 0.18 118.70 120.96 1rgr s GLU 69 Ca 0.07 1.56 -0.24 0.00 -0.15 0.00 0.00 54.97 56.22 1rgr s GLU 69 Cb -0.09 -2.77 0.06 0.00 -0.44 0.00 0.00 34.13 30.89 1rgr s GLU 69 CO 0.02 0.03 1.06 0.50 0.95 0.00 0.00 175.26 177.82 1rgr s ARG 70 N -2.12 3.15 0.91 -4.83 3.00 -0.54 -4.72 118.95 113.80 1rgr s ARG 70 Ca 0.53 -0.68 -0.11 0.00 -1.00 0.00 0.00 55.73 54.46 1rgr s ARG 70 Cb -0.24 -4.24 0.14 0.00 0.00 0.00 0.00 34.95 30.60 1rgr s ARG 70 CO 0.31 -1.92 1.09 0.20 0.00 0.00 0.00 175.30 174.98 1rgr s GLY 71 N 3.71 1.62 0.06 8.12 0.00 -1.03 -4.78 107.32 115.03 1rgr s GLY 71 Ca 0.26 0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.79 1rgr s GLY 71 CO 0.11 0.52 1.53 3.43 0.00 0.00 0.00 173.10 178.68 1rgr h ASN 72 N -1.65 0.17 1.28 1.64 4.21 -1.99 -2.63 115.58 116.62 1rgr h ASN 72 Ca -0.49 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 56.76 1rgr h ASN 72 Cb 1.28 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1rgr h ASN 72 CO 0.52 0.38 0.00 0.77 -1.29 0.00 0.00 177.43 177.81 1rgr h SER 73 N -0.05 0.00 -1.98 5.81 4.64 -2.00 -3.50 113.55 116.48 1rgr h SER 73 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1rgr h SER 73 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1rgr h SER 73 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1rgr n GLY 74 N 0.85 0.17 0.10 -0.77 0.00 -0.99 -4.95 105.19 99.61 1rgr n GLY 74 Ca 0.04 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 0.64 -1.49 0.99 7.99 -1.26 -2.46 117.00 121.41 1rgr n LEU 75 Ca 0.00 0.61 -0.03 0.00 -0.01 0.00 0.00 56.01 56.57 1rgr n LEU 75 Cb 0.00 -0.46 0.02 0.00 -0.11 0.00 0.00 43.42 42.87 1rgr n LEU 75 CO 0.00 -0.34 0.02 0.61 -1.51 0.00 0.00 177.39 176.17 1rgr n GLY 76 N 0.66 0.30 3.39 -0.72 0.00 -1.26 -0.25 105.19 107.31 1rgr n GLY 76 Ca 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.07 -0.45 -0.11 1.61 -0.12 -1.26 -0.87 117.98 113.70 1rgr s PHE 77 Ca 0.00 0.78 -0.11 0.00 -0.05 0.00 0.00 56.93 57.56 1rgr s PHE 77 Cb -0.00 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 1rgr s PHE 77 CO 0.14 -0.49 0.25 -1.12 -0.05 0.00 0.00 175.22 173.95 1rgr s SER 78 N -1.14 6.48 -0.20 1.98 0.01 0.59 -4.84 113.70 116.59 1rgr s SER 78 Ca -0.11 0.57 -0.04 0.00 1.31 0.00 0.00 55.95 57.68 1rgr s SER 78 Cb -0.03 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 1rgr s SER 78 CO 0.07 0.28 -0.03 0.27 0.41 0.00 0.00 173.24 174.24 1rgr s ILE 79 N -0.46 3.68 1.01 1.44 -4.36 -1.26 -0.11 121.20 121.14 1rgr s ILE 79 Ca 0.17 -0.40 -0.16 0.00 -0.26 0.00 0.00 60.65 59.99 1rgr s ILE 79 Cb -0.13 -2.66 0.21 0.00 1.25 0.00 0.00 42.46 41.13 1rgr s ILE 79 CO 0.06 0.44 1.27 0.00 0.24 0.00 0.00 174.94 176.94 1rgr s ALA 80 N 1.08 1.89 0.39 2.27 0.00 0.38 -4.81 121.76 122.97 1rgr s ALA 80 Ca 0.02 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1rgr s ALA 80 Cb -0.15 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 1rgr s ALA 80 CO 0.01 -2.65 0.56 0.20 0.00 0.00 0.00 175.76 173.88 1rgr s GLY 81 N -4.65 1.57 0.00 0.00 0.00 -1.26 -3.65 107.32 99.34 1rgr s GLY 81 Ca 0.73 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1rgr s GLY 81 CO 0.53 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 173.11 1rgr n GLY 82 N -1.84 2.40 0.32 0.20 0.00 -1.22 -4.42 105.19 100.64 1rgr n GLY 82 Ca 0.00 -2.11 0.19 0.00 0.00 0.00 0.00 46.02 44.10 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 0.10 0.27 -0.00 2.61 1.35 -1.31 -0.84 112.91 115.09 1rgr h THR 83 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1rgr h THR 83 Cb 0.00 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 1rgr h THR 83 CO 0.00 0.04 -0.31 0.47 -0.25 0.00 0.00 175.52 175.47 1rgr n ASP 84 N -5.17 0.61 -2.88 5.36 8.00 -1.26 -4.56 116.55 116.65 1rgr n ASP 84 Ca 0.27 -0.43 -0.12 0.00 0.71 0.00 0.00 54.79 55.22 1rgr n ASP 84 Cb 0.85 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 42.08 1rgr n ASP 84 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1rgr n ASN 85 N -1.15 -1.00 -4.80 -2.24 5.15 -0.57 -5.10 115.26 105.56 1rgr n ASN 85 Ca 0.09 -3.31 -0.37 0.00 -0.60 0.00 0.00 54.58 50.40 1rgr n ASN 85 Cb 0.33 0.84 -0.07 0.00 -0.53 0.00 0.00 39.78 40.35 1rgr n ASN 85 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1rgr s PRO 86 N -0.86 3.92 -0.05 1.20 0.04 -0.43 -3.38 135.00 135.45 1rgr s PRO 86 Ca 0.28 0.02 0.19 0.00 0.04 0.00 0.00 61.00 61.54 1rgr s PRO 86 Cb 0.33 -3.31 -0.29 0.00 0.04 0.00 0.00 34.50 31.26 1rgr s PRO 86 CO -0.06 0.50 0.37 1.58 0.04 0.00 0.00 177.00 179.44 1rgr n HIS 87 N 2.74 0.00 -4.17 0.56 -0.00 -1.26 -4.97 115.22 108.11 1rgr n HIS 87 Ca -0.16 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.92 1rgr n HIS 87 Cb 0.53 -0.53 -0.10 0.00 -0.12 0.00 0.00 29.99 29.77 1rgr n HIS 87 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1rgr s ILE 88 N -3.22 0.22 0.00 3.57 -5.25 -1.26 -5.08 121.20 110.18 1rgr s ILE 88 Ca -0.08 -1.92 0.00 0.00 -0.99 0.00 0.00 60.65 57.66 1rgr s ILE 88 Cb 0.11 -2.06 0.00 0.00 2.95 0.00 0.00 42.46 43.46 1rgr s ILE 88 CO 0.81 -0.47 0.00 0.61 -1.79 0.00 0.00 174.94 174.11 1rgr n GLY 89 N -0.13 0.81 0.02 6.27 0.00 -1.26 -4.53 105.19 106.38 1rgr n GLY 89 Ca -0.06 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.43 0.17 0.11 1.61 8.00 -1.26 -4.82 116.55 119.94 1rgr n ASP 90 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1rgr n ASP 90 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 -1.67 -1.92 0.00 -2.24 2.03 -1.26 -5.16 116.55 106.34 1rgr n ASP 91 Ca 0.06 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.99 1rgr n ASP 91 Cb 0.31 2.02 0.00 0.00 -0.72 0.00 0.00 41.12 42.73 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 -3.11 0.00 -0.40 -0.67 -0.04 -1.26 -4.82 135.00 124.70 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 -3.26 -4.66 3.54 7.64 -1.12 -4.14 113.62 111.62 1rgr n SER 93 Ca 0.00 0.30 -0.38 0.00 1.01 0.00 0.00 58.87 59.80 1rgr n SER 93 Cb 0.00 -0.36 -0.08 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.75 5.24 -0.08 0.44 -1.09 -1.24 -4.42 121.20 118.30 1rgr s ILE 94 Ca 0.00 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1rgr s ILE 94 Cb 0.00 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1rgr s ILE 94 CO 0.00 0.26 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.52 1rgr s PHE 95 N 1.35 1.39 0.13 3.97 0.08 -1.24 -1.98 117.98 121.69 1rgr s PHE 95 Ca 0.15 -0.58 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 1rgr s PHE 95 Cb -0.15 -1.09 -0.09 0.00 -0.57 0.00 0.00 43.02 41.13 1rgr s PHE 95 CO 0.07 -0.36 1.50 0.42 -0.10 0.00 0.00 175.22 176.75 1rgr s ILE 96 N 1.08 2.95 -0.10 0.64 1.01 -1.07 -0.47 121.20 125.24 1rgr s ILE 96 Ca -0.07 0.66 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 1rgr s ILE 96 Cb -0.14 -3.42 -0.28 0.00 0.01 0.00 0.00 42.46 38.63 1rgr s ILE 96 CO -0.01 0.05 0.50 0.74 0.00 0.00 0.00 174.94 176.22 1rgr h THR 97 N 4.18 0.83 -4.25 2.92 2.02 -0.72 -2.35 112.91 115.54 1rgr h THR 97 Ca -0.42 -2.40 -0.13 0.00 0.77 0.00 0.00 66.41 64.23 1rgr h THR 97 Cb 1.21 2.62 -0.15 0.00 -1.74 0.00 0.00 68.15 70.09 1rgr h THR 97 CO 0.89 0.81 -0.66 -0.54 0.37 0.00 0.00 175.52 176.40 1rgr s LYS 98 N -2.54 0.68 -0.30 6.66 1.02 -1.11 -4.83 119.74 119.32 1rgr s LYS 98 Ca -0.20 -1.24 -0.02 0.00 0.02 0.00 0.00 55.97 54.52 1rgr s LYS 98 Cb 0.06 0.22 0.05 0.00 -0.52 0.00 0.00 37.83 37.64 1rgr s LYS 98 CO 0.79 -0.15 0.01 0.96 -0.92 0.00 0.00 175.35 176.04 1rgr s ILE 99 N -3.94 3.04 -0.03 2.17 -4.36 -1.26 -0.30 121.20 116.52 1rgr s ILE 99 Ca 0.10 -1.37 -0.30 0.00 -0.26 0.00 0.00 60.65 58.82 1rgr s ILE 99 Cb 0.08 -2.75 -0.06 0.00 1.25 0.00 0.00 42.46 40.98 1rgr s ILE 99 CO -0.08 -0.11 1.64 -0.63 0.24 0.00 0.00 174.94 176.00 1rgr s ILE 100 N 1.26 3.49 0.32 8.37 1.09 -0.05 -4.88 121.20 130.79 1rgr s ILE 100 Ca -0.05 0.68 -0.29 0.00 -1.10 0.00 0.00 60.65 59.89 1rgr s ILE 100 Cb -0.20 -3.44 -0.11 0.00 -1.06 0.00 0.00 42.46 37.66 1rgr s ILE 100 CO -0.01 -0.05 1.45 -2.84 -0.10 0.00 0.00 174.94 173.39 1rgr s PRO 101 N 3.68 4.21 0.00 2.79 0.02 -1.26 -2.27 135.00 142.16 1rgr s PRO 101 Ca 0.73 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1rgr s PRO 101 Cb -0.34 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.14 1rgr s PRO 101 CO 0.30 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1rgr n GLY 102 N 1.23 2.30 3.98 0.52 0.00 -1.26 -5.05 105.19 106.91 1rgr n GLY 102 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1rgr n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rgr s GLY 103 N -2.00 1.76 0.23 -0.02 0.00 -0.96 -4.93 107.32 101.41 1rgr s GLY 103 Ca 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 1rgr s GLY 103 CO 0.00 -1.02 1.66 0.00 0.00 0.00 0.00 173.10 173.74 1rgr h ALA 104 N -0.64 0.94 -0.27 3.20 0.00 -1.65 -1.12 119.26 119.72 1rgr h ALA 104 Ca -0.38 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.06 1rgr h ALA 104 Cb 1.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1rgr h ALA 104 CO 0.42 0.61 -0.29 0.00 0.00 0.00 0.00 179.25 179.99 1rgr h ALA 105 N 1.14 0.99 -0.07 0.00 0.00 -0.77 0.41 119.26 120.97 1rgr h ALA 105 Ca 0.09 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1rgr h ALA 105 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1rgr h ALA 105 CO 0.05 0.60 -0.47 0.00 0.00 0.00 0.00 179.25 179.43 1rgr h ALA 106 N 1.21 1.08 0.50 0.00 0.00 -1.69 0.42 119.26 120.78 1rgr h ALA 106 Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1rgr h ALA 106 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rgr h ALA 106 CO 0.06 0.62 -0.24 0.37 0.00 0.00 0.00 179.25 180.06 1rgr h GLN 107 N 0.13 -0.65 0.00 0.00 -0.00 -1.16 -3.39 115.11 110.04 1rgr h GLN 107 Ca 0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 1rgr h GLN 107 Cb 0.89 0.15 -0.00 0.00 0.00 0.00 0.00 27.48 28.51 1rgr h GLN 107 CO 0.07 -0.43 -0.07 0.22 0.00 0.00 0.00 178.83 178.62 1rgr h ASP 108 N -1.02 0.00 0.00 -0.69 1.82 -1.04 -3.45 116.42 112.04 1rgr h ASP 108 Ca -0.07 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1rgr h ASP 108 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1rgr h ASP 108 CO 0.11 0.68 0.00 0.61 -1.61 0.00 0.00 179.24 179.04 1rgr n GLY 109 N 1.71 -0.45 3.56 -0.78 0.00 -0.35 -5.01 105.19 103.87 1rgr n GLY 109 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.95 -5.70 -0.22 1.61 1.74 0.13 -5.00 116.66 107.28 1rgr n ARG 110 Ca 0.00 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 1rgr n ARG 110 Cb 0.00 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 25.91 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1rgr n LEU 111 N -4.18 0.00 -4.74 0.55 -0.00 -1.26 -5.06 117.00 102.30 1rgr n LEU 111 Ca -0.29 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.32 1rgr n LEU 111 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.04 1rgr n LEU 111 CO 0.64 -0.10 0.47 0.00 -0.00 0.00 0.00 177.39 178.40 1rgr s ARG 112 N 1.89 4.50 0.02 1.47 1.70 -1.26 -4.99 118.95 122.28 1rgr s ARG 112 Ca 0.00 1.07 -0.25 0.00 -0.47 0.00 0.00 55.73 56.08 1rgr s ARG 112 Cb 0.00 -3.37 -0.18 0.00 -0.57 0.00 0.00 34.95 30.84 1rgr s ARG 112 CO 0.00 0.27 1.41 -0.39 -1.08 0.00 0.00 175.30 175.51 1rgr h VAL 113 N 4.15 1.04 0.00 4.99 -1.51 -1.89 -3.33 116.25 119.70 1rgr h VAL 113 Ca -0.44 -0.62 -0.16 0.00 -1.23 0.00 0.00 66.70 64.25 1rgr h VAL 113 Cb 1.21 1.43 0.02 0.00 -2.13 0.00 0.00 31.29 31.82 1rgr h VAL 113 CO 0.71 0.15 1.37 0.59 -1.23 0.00 0.00 177.57 179.16 1rgr n ASN 114 N -5.03 1.06 -4.22 4.19 3.02 -0.89 -2.60 115.26 110.80 1rgr n ASN 114 Ca -0.09 -2.14 -0.35 0.00 -0.03 0.00 0.00 54.58 51.97 1rgr n ASN 114 Cb 0.20 -0.62 -0.14 0.00 -0.61 0.00 0.00 39.78 38.61 1rgr n ASN 114 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rgr s ASP 115 N 4.97 4.76 -1.14 6.41 2.15 -1.25 -4.96 116.67 127.61 1rgr s ASP 115 Ca 0.17 -1.03 -0.22 0.00 0.43 0.00 0.00 52.55 51.91 1rgr s ASP 115 Cb 0.04 -1.74 -0.08 0.00 -0.30 0.00 0.00 42.92 40.85 1rgr s ASP 115 CO 0.04 -0.21 1.91 -1.20 -0.17 0.00 0.00 175.17 175.54 1rgr n SER 116 N 4.70 3.26 -4.60 -0.34 7.64 -1.26 -3.76 113.62 119.25 1rgr n SER 116 Ca -0.14 -2.73 -0.43 0.00 1.01 0.00 0.00 58.87 56.58 1rgr n SER 116 Cb 0.45 -1.64 -0.02 0.00 -1.01 0.00 0.00 64.21 61.99 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 8.94 3.83 -0.14 0.44 1.10 -0.84 -3.69 121.20 130.85 1rgr s ILE 117 Ca 0.64 0.84 -0.05 0.00 -0.51 0.00 0.00 60.65 61.57 1rgr s ILE 117 Cb 0.03 -4.12 -0.07 0.00 0.15 0.00 0.00 42.46 38.46 1rgr s ILE 117 CO 0.12 -0.71 -0.16 0.00 -2.11 0.00 0.00 174.94 172.08 1rgr n LEU 118 N 9.07 1.46 -4.36 8.50 -0.00 -0.55 -4.04 117.00 127.08 1rgr n LEU 118 Ca 0.18 0.11 -0.32 0.00 -0.00 0.00 0.00 56.01 55.98 1rgr n LEU 118 Cb 0.48 -0.42 -0.15 0.00 -0.00 0.00 0.00 43.42 43.33 1rgr n LEU 118 CO 0.70 0.39 -0.51 -0.36 -0.00 0.00 0.00 177.39 177.62 1rgr s PHE 119 N -2.26 2.59 -0.12 1.47 0.40 -1.19 -2.25 117.98 116.62 1rgr s PHE 119 Ca -0.19 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1rgr s PHE 119 Cb 0.07 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1rgr s PHE 119 CO 0.26 -0.05 -0.15 0.54 0.70 0.00 0.00 175.22 176.51 1rgr s VAL 120 N -0.32 1.54 0.00 -0.44 0.11 -1.01 -1.00 120.40 119.28 1rgr s VAL 120 Ca 0.02 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1rgr s VAL 120 Cb -0.13 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.31 1rgr s VAL 120 CO 0.02 0.45 0.00 0.59 -3.33 0.00 0.00 175.10 172.83 1rgr n ASN 121 N 4.37 0.00 0.00 3.54 3.02 0.12 -1.79 115.26 124.52 1rgr n ASN 121 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1rgr n ASN 121 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 1.99 -2.17 3.52 -0.58 -1.26 -4.90 120.64 117.24 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 -0.21 -0.03 0.00 -0.57 0.00 0.00 31.44 30.63 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 -0.21 2.98 -0.67 2.62 1.01 -0.74 -4.99 120.40 120.39 1rgr s VAL 123 Ca 0.00 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 1rgr s VAL 123 Cb 0.00 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.90 1rgr s VAL 123 CO 0.00 0.16 0.93 -0.62 0.00 0.00 0.00 175.10 175.58 1rgr s ASP 124 N -0.02 6.22 0.00 3.32 2.15 -1.26 -2.42 116.67 124.67 1rgr s ASP 124 Ca 0.54 -1.18 0.00 0.00 0.43 0.00 0.00 52.55 52.33 1rgr s ASP 124 Cb -0.38 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1rgr s ASP 124 CO 0.44 -1.34 0.00 1.33 -0.17 0.00 0.00 175.17 175.43 1rgr n VAL 125 N 5.81 0.00 0.00 1.11 0.24 -1.03 -4.94 118.33 119.52 1rgr n VAL 125 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1rgr n VAL 125 Cb 0.45 -0.06 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 -1.35 7.34 1.85 -0.95 -3.15 116.66 120.40 1rgr n ARG 126 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1rgr n ARG 126 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 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 2.93 -4.19 2.89 2.13 -1.26 -2.80 120.64 120.33 1rgr n GLU 127 Ca 0.00 -2.19 -0.12 0.00 0.66 0.00 0.00 57.16 55.52 1rgr n GLU 127 Cb 0.00 -2.93 -0.10 0.00 0.27 0.00 0.00 31.44 28.68 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 3.02 0.15 0.27 6.31 0.11 -1.19 -4.93 120.40 124.15 1rgr s VAL 128 Ca 0.56 -1.96 -0.30 0.00 -2.93 0.00 0.00 61.98 57.35 1rgr s VAL 128 Cb 0.15 -2.29 -0.12 0.00 -1.53 0.00 0.00 36.38 32.59 1rgr s VAL 128 CO -0.05 -0.23 1.58 0.41 -3.33 0.00 0.00 175.10 173.48 1rgr n THR 129 N -0.21 0.89 -0.42 5.04 -1.04 -1.26 -0.94 114.28 116.34 1rgr n THR 129 Ca -0.02 -0.22 0.36 0.00 -2.04 0.00 0.00 64.05 62.13 1rgr n THR 129 Cb 0.65 -1.88 0.69 0.00 -1.82 0.00 0.00 70.33 67.97 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 4.92 0.26 -0.67 -1.42 2.07 -1.89 -2.34 115.15 116.07 1rgr h HIS 130 Ca -0.46 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1rgr h HIS 130 Cb 1.23 -0.07 -0.03 0.00 2.57 0.00 0.00 27.41 31.11 1rgr h HIS 130 CO 0.59 -0.04 0.42 0.77 -3.07 0.00 0.00 177.93 176.60 1rgr h SER 131 N 0.10 0.79 -0.16 3.10 0.02 -1.98 0.19 113.55 115.61 1rgr h SER 131 Ca 0.70 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 61.46 1rgr h SER 131 Cb 2.46 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.80 1rgr h SER 131 CO -0.16 0.60 -0.40 0.00 -1.14 0.00 0.00 176.83 175.73 1rgr h ALA 132 N 1.22 0.74 0.93 3.77 0.00 -1.82 -2.38 119.26 121.73 1rgr h ALA 132 Ca 0.24 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1rgr h ALA 132 Cb -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rgr h ALA 132 CO -0.05 0.66 -0.45 0.00 0.00 0.00 0.00 179.25 179.41 1rgr h ALA 133 N 0.97 -1.25 -0.87 0.00 0.00 -1.39 -0.75 119.26 115.97 1rgr h ALA 133 Ca 0.05 -0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.85 1rgr h ALA 133 Cb 0.94 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1rgr h ALA 133 CO 0.09 -1.20 0.43 -0.24 0.00 0.00 0.00 179.25 178.33 1rgr h VAL 134 N -1.27 0.65 -0.13 0.00 3.04 -0.75 0.42 116.25 118.21 1rgr h VAL 134 Ca -0.13 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1rgr h VAL 134 Cb 0.96 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 1rgr h VAL 134 CO 0.21 0.10 0.03 -0.08 -1.01 0.00 0.00 177.57 176.82 1rgr h GLU 135 N 0.56 0.21 0.00 4.17 4.57 -1.45 -2.66 114.58 119.98 1rgr h GLU 135 Ca 0.50 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.54 1rgr h GLU 135 Cb 0.80 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1rgr h GLU 135 CO -0.42 0.37 -0.40 0.00 -1.18 0.00 0.00 179.01 177.38 1rgr h ALA 136 N 0.83 1.18 0.02 2.92 0.00 -0.70 0.27 119.26 123.77 1rgr h ALA 136 Ca 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1rgr h ALA 136 Cb 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1rgr h ALA 136 CO 0.00 0.51 -0.22 -0.07 0.00 0.00 0.00 179.25 179.46 1rgr h LEU 137 N 0.00 -0.65 -0.23 0.00 4.07 -0.95 -1.55 115.31 115.99 1rgr h LEU 137 Ca -0.00 0.09 -0.21 0.00 0.08 0.00 0.00 57.88 57.83 1rgr h LEU 137 Cb 0.79 0.26 0.01 0.00 1.08 0.00 0.00 40.66 42.80 1rgr h LEU 137 CO 0.05 -0.29 -0.76 0.07 -1.08 0.00 0.00 178.44 176.43 1rgr h LYS 138 N -0.36 0.69 0.00 1.13 2.10 -1.41 -3.20 116.57 115.53 1rgr h LYS 138 Ca 0.06 -0.56 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1rgr h LYS 138 Cb 0.43 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1rgr h LYS 138 CO -0.19 1.18 0.00 -1.91 -2.00 0.00 0.00 179.45 176.53 1rgr n GLU 139 N -3.91 0.30 0.00 0.07 2.13 0.93 -3.27 120.64 116.88 1rgr n GLU 139 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1rgr n GLU 139 Cb 0.74 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.95 1rgr n GLU 139 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rgr n ALA 140 N -0.99 0.84 0.00 4.31 0.00 -0.59 -4.95 120.51 119.13 1rgr n ALA 140 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1rgr n ALA 140 Cb 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1rgr n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgr n GLY 141 N -1.42 0.99 0.07 0.00 0.00 -1.20 -3.22 105.19 100.40 1rgr n GLY 141 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.62 -3.47 1.61 7.64 -1.26 -4.77 113.62 113.99 1rgr n SER 142 Ca 0.00 -0.81 -0.13 0.00 1.01 0.00 0.00 58.87 58.94 1rgr n SER 142 Cb 0.00 0.78 -0.11 0.00 -1.01 0.00 0.00 64.21 63.88 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 -1.44 -0.47 -0.32 0.44 -0.00 -1.20 -1.46 121.20 116.76 1rgr s ILE 143 Ca 0.04 -0.03 -0.15 0.00 -0.00 0.00 0.00 60.65 60.52 1rgr s ILE 143 Cb 0.06 -0.70 -0.02 0.00 -0.00 0.00 0.00 42.46 41.80 1rgr s ILE 143 CO 0.25 -0.11 0.35 -0.69 -0.00 0.00 0.00 174.94 174.74 1rgr s VAL 144 N 2.44 5.18 -0.80 8.37 1.01 0.13 -4.83 120.40 131.89 1rgr s VAL 144 Ca 0.08 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1rgr s VAL 144 Cb -0.15 -3.77 0.21 0.00 0.00 0.00 0.00 36.38 32.67 1rgr s VAL 144 CO -0.13 -0.01 0.75 -0.13 0.00 0.00 0.00 175.10 175.58 1rgr s ARG 145 N 2.02 3.54 0.08 2.72 0.52 -1.26 -1.09 118.95 125.49 1rgr s ARG 145 Ca 0.12 -2.38 -0.27 0.00 -0.52 0.00 0.00 55.73 52.69 1rgr s ARG 145 Cb -0.16 -4.42 -0.06 0.00 0.52 0.00 0.00 34.95 30.83 1rgr s ARG 145 CO 0.11 -1.30 0.83 -0.51 0.02 0.00 0.00 175.30 174.45 1rgr s LEU 146 N 0.35 4.48 -0.09 2.53 1.43 0.02 -0.70 118.68 126.70 1rgr s LEU 146 Ca 0.17 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 1rgr s LEU 146 Cb -0.12 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.76 1rgr s LEU 146 CO -0.08 0.01 -0.11 -0.31 0.23 0.00 0.00 176.35 176.09 1rgr s TYR 147 N -0.16 1.53 -0.13 0.29 2.02 -0.17 -0.74 117.35 120.00 1rgr s TYR 147 Ca 0.41 -0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1rgr s TYR 147 Cb -0.22 -1.17 0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1rgr s TYR 147 CO 0.25 -0.38 -0.02 0.54 -1.57 0.00 0.00 175.55 174.37 1rgr s VAL 148 N 1.05 0.72 -0.07 0.71 0.11 -0.87 -1.48 120.40 120.57 1rgr s VAL 148 Ca -0.07 -0.29 -0.15 0.00 -2.93 0.00 0.00 61.98 58.53 1rgr s VAL 148 Cb -0.15 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1rgr s VAL 148 CO -0.01 0.15 0.40 -0.32 -3.33 0.00 0.00 175.10 171.99 1rgr s MET 149 N 1.81 4.11 0.50 1.54 1.75 -1.24 -0.63 119.30 127.13 1rgr s MET 149 Ca 0.03 0.34 -0.13 0.00 -1.25 0.00 0.00 55.69 54.68 1rgr s MET 149 Cb -0.14 -3.33 -0.06 0.00 2.84 0.00 0.00 34.83 34.13 1rgr s MET 149 CO -0.07 0.43 0.91 -0.98 -0.65 0.00 0.00 175.02 174.66 1rgr s ARG 150 N -0.22 3.81 0.53 4.11 1.70 -0.92 -4.70 118.95 123.26 1rgr s ARG 150 Ca 0.23 0.72 -0.19 0.00 -0.47 0.00 0.00 55.73 56.01 1rgr s ARG 150 Cb -0.15 -2.22 -0.06 0.00 -0.57 0.00 0.00 34.95 31.94 1rgr s ARG 150 CO 0.10 -0.24 1.07 1.03 -1.08 0.00 0.00 175.30 176.18 1rgr s ARG 151 N -4.24 3.52 -0.33 3.89 0.52 -1.26 -4.36 118.95 116.70 1rgr s ARG 151 Ca 0.55 1.41 -0.04 0.00 -0.52 0.00 0.00 55.73 57.13 1rgr s ARG 151 Cb -0.10 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1rgr s ARG 151 CO 0.36 -0.67 0.36 1.63 0.02 0.00 0.00 175.30 176.99 1rgr n LYS 152 N -1.35 -0.98 -0.18 3.54 4.76 -1.26 -4.98 118.16 117.71 1rgr n LYS 152 Ca 0.10 1.20 -0.00 0.00 -2.87 0.00 0.00 58.31 56.73 1rgr n LYS 152 Cb 0.52 -3.80 0.08 0.00 -1.84 0.00 0.00 35.03 30.00 1rgr n LYS 152 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1rgr h PRO 153 N 0.63 0.13 0.00 1.97 0.11 -1.98 -3.47 132.00 129.38 1rgr h PRO 153 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1rgr h PRO 153 Cb 0.79 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1rgr h PRO 153 CO 0.14 0.09 0.00 -2.30 -0.21 0.00 0.00 178.00 175.72