#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 3.05 -0.14 -0.32 1.13 -1.26 -3.38 117.35 116.43 1rgr s TYR 63 Ca 0.00 -0.15 -0.02 0.00 -1.41 0.00 0.00 57.07 55.48 1rgr s TYR 63 Cb 0.00 -1.91 -0.03 0.00 -1.10 0.00 0.00 41.96 38.92 1rgr s TYR 63 CO 0.00 0.10 -0.06 -1.21 -2.51 0.00 0.00 175.55 171.88 1rgr s GLU 64 N 0.02 3.46 -0.18 -3.49 0.41 0.19 -4.89 118.70 114.22 1rgr s GLU 64 Ca 0.01 -0.55 -0.17 0.00 -0.41 0.00 0.00 54.97 53.85 1rgr s GLU 64 Cb -0.13 -2.81 -0.04 0.00 -1.78 0.00 0.00 34.13 29.37 1rgr s GLU 64 CO 0.02 0.32 0.45 -1.83 -0.49 0.00 0.00 175.26 173.74 1rgr s GLU 65 N 0.13 4.22 -0.08 1.61 -1.05 -1.26 -1.11 118.70 121.16 1rgr s GLU 65 Ca -0.02 0.33 0.01 0.00 -0.15 0.00 0.00 54.97 55.14 1rgr s GLU 65 Cb -0.14 -3.52 0.02 0.00 -0.44 0.00 0.00 34.13 30.05 1rgr s GLU 65 CO 0.03 -0.02 -0.10 0.42 0.95 0.00 0.00 175.26 176.54 1rgr s ILE 66 N 1.23 1.07 -0.17 1.83 1.01 0.14 -5.02 121.20 121.29 1rgr s ILE 66 Ca 0.22 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 1rgr s ILE 66 Cb -0.15 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1rgr s ILE 66 CO 0.09 0.35 -0.04 -0.89 0.00 0.00 0.00 174.94 174.45 1rgr s THR 67 N 1.06 3.76 0.22 2.92 2.01 -1.26 -0.13 115.64 124.23 1rgr s THR 67 Ca -0.07 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.60 1rgr s THR 67 Cb -0.15 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1rgr s THR 67 CO -0.01 0.47 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.08 1rgr s LEU 68 N 0.63 2.49 0.21 4.42 2.96 -0.55 -4.98 118.68 123.85 1rgr s LEU 68 Ca -0.02 -1.09 -0.17 0.00 -0.22 0.00 0.00 54.13 52.62 1rgr s LEU 68 Cb -0.14 -0.58 -0.08 0.00 0.50 0.00 0.00 46.19 45.89 1rgr s LEU 68 CO 0.02 -0.28 0.66 -1.61 -1.32 0.00 0.00 176.35 173.82 1rgr s GLU 69 N -3.71 4.11 -0.23 1.98 2.02 -1.26 -0.92 118.70 120.69 1rgr s GLU 69 Ca 0.25 0.69 -0.09 0.00 0.02 0.00 0.00 54.97 55.83 1rgr s GLU 69 Cb 0.02 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 1rgr s GLU 69 CO 0.08 0.39 0.12 0.50 0.02 0.00 0.00 175.26 176.37 1rgr s ARG 70 N -2.13 3.96 0.61 1.61 3.52 -0.42 -4.68 118.95 121.42 1rgr s ARG 70 Ca 0.43 -0.33 -0.19 0.00 -0.13 0.00 0.00 55.73 55.51 1rgr s ARG 70 Cb -0.15 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1rgr s ARG 70 CO 0.20 0.05 1.22 0.41 -0.81 0.00 0.00 175.30 176.36 1rgr n GLY 71 N 4.29 0.36 0.21 8.12 0.00 -1.16 -4.53 105.19 112.47 1rgr n GLY 71 Ca -0.15 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1rgr n GLY 71 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rgr h ASN 72 N 0.71 -0.51 1.30 1.61 -1.24 -1.97 -2.86 115.58 112.62 1rgr h ASN 72 Ca -0.50 0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1rgr h ASN 72 Cb 1.34 0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.64 1rgr h ASN 72 CO 0.53 -0.21 -0.25 0.28 -1.29 0.00 0.00 177.43 176.49 1rgr h SER 73 N -0.19 0.00 0.00 1.15 0.02 -2.04 -3.49 113.55 109.00 1rgr h SER 73 Ca 0.10 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1rgr h SER 73 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1rgr h SER 73 CO -0.27 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.07 1rgr n GLY 74 N 1.29 1.61 0.00 -3.77 0.00 -1.08 -5.11 105.19 98.14 1rgr n GLY 74 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 1.31 0.00 0.99 4.32 -1.26 -3.00 117.00 119.36 1rgr n LEU 75 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 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 2.64 0.48 3.29 -0.72 0.00 -1.26 -0.74 105.19 108.88 1rgr n GLY 76 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.14 0.21 1.61 -0.12 -1.26 -1.51 117.98 116.77 1rgr s PHE 77 Ca 0.00 -0.12 -0.02 0.00 -0.05 0.00 0.00 56.93 56.74 1rgr s PHE 77 Cb 0.00 0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1rgr s PHE 77 CO 0.00 -0.62 0.41 -1.12 -0.05 0.00 0.00 175.22 173.84 1rgr s SER 78 N -2.57 6.41 -0.10 1.98 0.01 0.20 -4.80 113.70 114.83 1rgr s SER 78 Ca 0.01 0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.76 1rgr s SER 78 Cb 0.02 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1rgr s SER 78 CO -0.09 -0.05 -0.18 0.27 0.41 0.00 0.00 173.24 173.60 1rgr s ILE 79 N -1.87 2.67 0.11 1.44 -5.25 -1.26 -2.11 121.20 114.92 1rgr s ILE 79 Ca 0.39 -0.82 -0.01 0.00 -0.99 0.00 0.00 60.65 59.23 1rgr s ILE 79 Cb -0.11 -2.06 0.02 0.00 2.95 0.00 0.00 42.46 43.26 1rgr s ILE 79 CO 0.29 0.55 0.15 0.00 -1.79 0.00 0.00 174.94 174.14 1rgr n ALA 80 N 3.19 -0.05 -2.52 2.27 0.00 -0.19 -4.82 120.51 118.39 1rgr n ALA 80 Ca -0.18 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.74 1rgr n ALA 80 Cb 0.53 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.95 1.70 0.00 0.00 0.00 -1.26 -3.77 107.32 101.05 1rgr s GLY 81 Ca 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1rgr s GLY 81 CO 0.06 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.25 1rgr n GLY 82 N -1.27 3.34 0.33 0.20 0.00 -0.35 -3.85 105.19 103.59 1rgr n GLY 82 Ca -0.02 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 0.91 0.00 2.61 1.35 -1.00 -1.71 112.91 115.07 1rgr h THR 83 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1rgr h THR 83 Cb 0.00 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.39 1rgr h THR 83 CO 0.00 0.16 0.00 -0.67 -0.25 0.00 0.00 175.52 174.76 1rgr n ASP 84 N -4.70 0.58 -3.12 5.36 2.03 -1.26 -4.49 116.55 110.94 1rgr n ASP 84 Ca 0.16 0.58 -0.15 0.00 0.52 0.00 0.00 54.79 55.90 1rgr n ASP 84 Cb 0.31 -0.73 -0.05 0.00 -0.72 0.00 0.00 41.12 39.93 1rgr n ASP 84 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rgr s ASN 85 N -4.09 0.07 -0.25 1.67 2.47 -0.81 -5.09 114.94 108.91 1rgr s ASN 85 Ca 0.09 -2.20 -0.08 0.00 0.42 0.00 0.00 52.86 51.09 1rgr s ASN 85 Cb 0.12 0.78 -0.03 0.00 -1.45 0.00 0.00 41.25 40.67 1rgr s ASN 85 CO 0.51 -0.13 0.09 -2.16 -3.72 0.00 0.00 177.10 171.68 1rgr s PRO 86 N 0.68 3.72 -0.14 0.43 0.04 -0.71 -1.21 135.00 137.81 1rgr s PRO 86 Ca 0.29 -0.45 0.05 0.00 0.04 0.00 0.00 61.00 60.93 1rgr s PRO 86 Cb -0.01 -3.38 -0.12 0.00 0.04 0.00 0.00 34.50 31.03 1rgr s PRO 86 CO -0.10 -0.17 -0.07 1.58 0.04 0.00 0.00 177.00 178.28 1rgr n HIS 87 N 4.90 0.00 -4.47 0.56 -0.00 -1.24 -4.90 115.22 110.07 1rgr n HIS 87 Ca -0.16 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.81 1rgr n HIS 87 Cb 0.52 -0.61 -0.14 0.00 -0.12 0.00 0.00 29.99 29.64 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 -2.31 1.18 0.00 3.57 1.09 -1.25 -4.84 121.20 118.64 1rgr s ILE 88 Ca -0.15 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.49 1rgr s ILE 88 Cb 0.05 -1.04 0.00 0.00 -1.06 0.00 0.00 42.46 40.41 1rgr s ILE 88 CO 0.42 0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.99 1rgr n GLY 89 N 2.13 2.12 0.00 6.18 0.00 -1.26 -1.52 105.19 112.84 1rgr n GLY 89 Ca -0.17 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1rgr n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rgr n ASP 90 N 10.13 0.00 0.00 1.61 2.03 -1.26 -4.87 116.55 124.19 1rgr n ASP 90 Ca 0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1rgr n ASP 90 Cb 0.00 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 1rgr n ASP 90 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1rgr n ASP 91 N -1.39 0.00 -4.49 1.67 8.00 -0.58 -4.94 116.55 114.82 1rgr n ASP 91 Ca 0.08 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 1rgr n ASP 91 Cb 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1rgr s PRO 92 N 0.00 3.74 -0.23 -0.24 0.04 -1.26 -3.59 135.00 133.46 1rgr s PRO 92 Ca 0.00 -1.79 -0.12 0.00 0.04 0.00 0.00 61.00 59.13 1rgr s PRO 92 Cb 0.00 -5.13 0.08 0.00 0.04 0.00 0.00 34.50 29.49 1rgr s PRO 92 CO 0.00 -1.93 0.54 -1.12 0.04 0.00 0.00 177.00 174.53 1rgr s SER 93 N 3.87 -0.71 -0.13 6.66 0.01 -1.24 -4.15 113.70 118.01 1rgr s SER 93 Ca 0.40 1.21 -0.29 0.00 1.31 0.00 0.00 55.95 58.58 1rgr s SER 93 Cb -0.02 1.24 -0.02 0.00 0.21 0.00 0.00 66.02 67.43 1rgr s SER 93 CO -0.06 -0.22 1.19 -0.63 0.41 0.00 0.00 173.24 173.94 1rgr s ILE 94 N 1.81 4.36 0.11 1.44 -1.09 -0.67 -4.43 121.20 122.73 1rgr s ILE 94 Ca -0.08 1.66 0.06 0.00 -2.23 0.00 0.00 60.65 60.05 1rgr s ILE 94 Cb -0.08 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1rgr s ILE 94 CO -0.16 -0.08 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.09 1rgr s PHE 95 N 2.89 2.91 -0.58 3.97 0.40 -1.25 -2.11 117.98 124.21 1rgr s PHE 95 Ca 0.53 -0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.59 1rgr s PHE 95 Cb -0.22 -1.48 0.09 0.00 0.51 0.00 0.00 43.02 41.93 1rgr s PHE 95 CO 0.16 0.48 0.71 0.42 0.70 0.00 0.00 175.22 177.69 1rgr s ILE 96 N -1.39 4.80 -0.10 0.64 -1.09 -1.09 -1.03 121.20 121.95 1rgr s ILE 96 Ca 0.25 -0.87 -0.25 0.00 -2.23 0.00 0.00 60.65 57.55 1rgr s ILE 96 Cb -0.11 -4.47 -0.28 0.00 -1.58 0.00 0.00 42.46 36.02 1rgr s ILE 96 CO 0.18 -1.10 0.78 0.00 -1.23 0.00 0.00 174.94 173.57 1rgr h THR 97 N 5.92 1.59 -3.71 2.92 1.03 -1.74 -0.48 112.91 118.45 1rgr h THR 97 Ca -0.29 -2.42 -0.14 0.00 -0.01 0.00 0.00 66.41 63.55 1rgr h THR 97 Cb 1.09 3.22 -0.19 0.00 -1.07 0.00 0.00 68.15 71.20 1rgr h THR 97 CO 1.08 0.65 -0.53 -1.59 -0.01 0.00 0.00 175.52 175.12 1rgr s LYS 98 N -2.33 0.52 -0.24 0.00 -2.85 -1.22 -4.59 119.74 109.03 1rgr s LYS 98 Ca -0.17 -0.60 -0.09 0.00 -1.00 0.00 0.00 55.97 54.11 1rgr s LYS 98 Cb -0.01 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1rgr s LYS 98 CO 0.75 -0.13 0.11 0.96 0.10 0.00 0.00 175.35 177.14 1rgr s ILE 99 N -2.02 4.83 -0.01 3.79 -4.36 -1.26 0.58 121.20 122.75 1rgr s ILE 99 Ca -0.10 -0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 59.99 1rgr s ILE 99 Cb -0.05 -3.25 -0.05 0.00 1.25 0.00 0.00 42.46 40.37 1rgr s ILE 99 CO -0.02 0.35 1.30 -0.63 0.24 0.00 0.00 174.94 176.18 1rgr s ILE 100 N 1.26 3.95 0.19 8.37 1.09 -0.57 -4.91 121.20 130.59 1rgr s ILE 100 Ca 0.06 1.33 -0.32 0.00 -1.10 0.00 0.00 60.65 60.62 1rgr s ILE 100 Cb -0.14 -3.85 -0.11 0.00 -1.06 0.00 0.00 42.46 37.29 1rgr s ILE 100 CO 0.05 0.01 1.71 -2.84 -0.10 0.00 0.00 174.94 173.77 1rgr s PRO 101 N 2.13 4.14 0.00 2.79 0.02 -1.26 -1.78 135.00 141.04 1rgr s PRO 101 Ca 0.60 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.18 1rgr s PRO 101 Cb -0.29 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1rgr s PRO 101 CO 0.25 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 1rgr n GLY 102 N 3.97 0.50 2.20 0.52 0.00 -1.26 -5.05 105.19 106.07 1rgr n GLY 102 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.88 -1.47 0.32 -0.02 0.00 -0.73 -4.75 105.19 96.66 1rgr n GLY 103 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.93 0.91 -0.34 4.61 0.00 -1.08 0.92 119.26 122.35 1rgr h ALA 104 Ca -0.25 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1rgr h ALA 104 Cb 0.69 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rgr h ALA 104 CO 0.17 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.82 1rgr h ALA 105 N 1.07 0.90 -0.22 0.00 0.00 -1.84 -1.36 119.26 117.81 1rgr h ALA 105 Ca 0.21 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1rgr h ALA 105 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rgr h ALA 105 CO 0.01 0.62 -0.40 0.00 0.00 0.00 0.00 179.25 179.48 1rgr h ALA 106 N 1.11 0.90 0.35 0.00 0.00 -1.70 -2.67 119.26 117.26 1rgr h ALA 106 Ca 0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1rgr h ALA 106 Cb 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rgr h ALA 106 CO 0.06 0.63 -0.17 0.37 0.00 0.00 0.00 179.25 180.15 1rgr h GLN 107 N 0.42 -0.45 0.15 0.00 -0.00 -0.77 -3.41 115.11 111.04 1rgr h GLN 107 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 1rgr h GLN 107 Cb 0.88 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.46 1rgr h GLN 107 CO 0.07 -0.16 -0.07 0.22 0.00 0.00 0.00 178.83 178.90 1rgr h ASP 108 N -1.00 -0.17 -0.23 -0.69 3.58 -1.41 -3.48 116.42 113.02 1rgr h ASP 108 Ca -0.05 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1rgr h ASP 108 Cb 0.50 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1rgr h ASP 108 CO 0.08 0.42 0.00 0.61 -2.88 0.00 0.00 179.24 177.47 1rgr n GLY 109 N 0.90 4.40 2.68 -0.78 0.00 -1.01 -5.07 105.19 106.31 1rgr n GLY 109 Ca -0.07 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 0.21 -0.81 1.61 1.74 -1.19 -4.17 116.66 114.04 1rgr n ARG 110 Ca 0.00 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 1rgr n ARG 110 Cb 0.00 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 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 1.95 0.00 -4.70 0.55 -0.00 -1.26 -5.09 117.00 108.44 1rgr n LEU 111 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.72 1rgr n LEU 111 Cb 0.67 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.01 1rgr n LEU 111 CO -0.10 -0.26 -0.18 0.00 -0.00 0.00 0.00 177.39 176.84 1rgr s ARG 112 N -0.49 4.14 0.07 1.47 1.70 -1.26 -5.04 118.95 119.54 1rgr s ARG 112 Ca 0.00 -0.24 -0.14 0.00 -0.47 0.00 0.00 55.73 54.88 1rgr s ARG 112 Cb 0.00 -3.44 -0.03 0.00 -0.57 0.00 0.00 34.95 30.91 1rgr s ARG 112 CO 0.00 0.23 1.11 1.33 -1.08 0.00 0.00 175.30 176.89 1rgr n VAL 113 N 3.73 -0.31 -0.87 4.99 0.24 -1.26 -4.66 118.33 120.20 1rgr n VAL 113 Ca -0.16 1.72 -0.09 0.00 -2.04 0.00 0.00 64.34 63.77 1rgr n VAL 113 Cb 0.52 -2.18 -0.09 0.00 -1.47 0.00 0.00 33.84 30.62 1rgr n VAL 113 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1rgr n ASN 114 N -4.03 -1.15 -3.68 -1.34 4.13 -0.19 -4.54 115.26 104.47 1rgr n ASN 114 Ca 0.01 -0.62 -0.10 0.00 1.68 0.00 0.00 54.58 55.55 1rgr n ASN 114 Cb 0.12 -0.38 -0.09 0.00 -1.54 0.00 0.00 39.78 37.89 1rgr n ASN 114 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1rgr s ASP 115 N 0.00 -0.66 -0.91 6.41 1.01 -1.26 -4.99 116.67 116.27 1rgr s ASP 115 Ca 0.51 1.13 -0.19 0.00 0.71 0.00 0.00 52.55 54.71 1rgr s ASP 115 Cb -0.33 1.03 0.13 0.00 1.01 0.00 0.00 42.92 44.76 1rgr s ASP 115 CO 0.22 -0.21 1.10 -0.44 0.21 0.00 0.00 175.17 176.05 1rgr s SER 116 N 1.26 6.61 0.05 0.27 0.01 -1.26 -2.65 113.70 117.98 1rgr s SER 116 Ca -0.08 -2.02 -0.30 0.00 1.31 0.00 0.00 55.95 54.86 1rgr s SER 116 Cb -0.06 -2.39 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1rgr s SER 116 CO -0.12 -1.06 1.85 -0.51 0.41 0.00 0.00 173.24 173.81 1rgr s ILE 117 N 2.63 2.98 -0.18 1.44 1.10 -0.90 -1.90 121.20 126.37 1rgr s ILE 117 Ca 0.31 0.18 -0.10 0.00 -0.51 0.00 0.00 60.65 60.54 1rgr s ILE 117 Cb -0.06 -3.12 -0.08 0.00 0.15 0.00 0.00 42.46 39.36 1rgr s ILE 117 CO -0.09 -0.01 -0.25 0.00 -2.11 0.00 0.00 174.94 172.49 1rgr n LEU 118 N 6.82 1.36 -4.17 8.50 -0.00 -0.35 -2.89 117.00 126.26 1rgr n LEU 118 Ca 0.19 0.23 -0.29 0.00 -0.00 0.00 0.00 56.01 56.14 1rgr n LEU 118 Cb 0.41 -0.56 -0.17 0.00 -0.00 0.00 0.00 43.42 43.10 1rgr n LEU 118 CO 0.66 0.34 -0.53 -0.36 -0.00 0.00 0.00 177.39 177.50 1rgr s PHE 119 N -2.37 2.08 -0.20 1.47 0.08 -1.13 -1.50 117.98 116.43 1rgr s PHE 119 Ca -0.26 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.08 1rgr s PHE 119 Cb 0.10 -1.41 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1rgr s PHE 119 CO 0.33 -0.27 -0.14 0.54 -0.10 0.00 0.00 175.22 175.58 1rgr s VAL 120 N 0.20 1.85 0.00 -0.44 0.11 -1.06 -0.88 120.40 120.17 1rgr s VAL 120 Ca -0.10 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 1rgr s VAL 120 Cb -0.15 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.88 1rgr s VAL 120 CO 0.05 0.30 0.00 0.59 -3.33 0.00 0.00 175.10 172.71 1rgr n ASN 121 N 4.63 0.00 0.00 3.54 3.02 0.39 -2.30 115.26 124.55 1rgr n ASN 121 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1rgr n ASN 121 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1rgr n ASN 121 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1rgr n GLU 122 N 0.00 0.00 -2.12 3.52 2.13 -1.26 -4.97 120.64 117.93 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1rgr n GLU 122 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1rgr s VAL 123 N 0.00 2.95 -0.69 6.31 1.01 -0.97 -4.98 120.40 124.03 1rgr s VAL 123 Ca 0.00 0.79 -0.23 0.00 0.00 0.00 0.00 61.98 62.54 1rgr s VAL 123 Cb 0.00 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.94 1rgr s VAL 123 CO 0.00 0.12 1.05 -0.62 0.00 0.00 0.00 175.10 175.65 1rgr s ASP 124 N 0.33 6.19 0.00 3.32 -1.08 -1.26 -2.57 116.67 121.60 1rgr s ASP 124 Ca 0.58 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 1rgr s ASP 124 Cb -0.39 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.62 1rgr s ASP 124 CO 0.41 -1.52 0.00 1.33 0.52 0.00 0.00 175.17 175.91 1rgr n VAL 125 N 6.02 0.00 0.00 1.11 0.24 -0.56 -4.90 118.33 120.24 1rgr n VAL 125 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1rgr n VAL 125 Cb 0.46 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.08 7.34 1.85 -1.14 -2.91 116.66 119.72 1rgr n ARG 126 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 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 3.93 -4.40 2.89 2.13 -1.26 -1.66 120.64 122.27 1rgr n GLU 127 Ca 0.00 -3.32 -0.20 0.00 0.66 0.00 0.00 57.16 54.30 1rgr n GLU 127 Cb 0.00 -2.83 -0.10 0.00 0.27 0.00 0.00 31.44 28.77 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 0.18 0.97 0.28 6.31 0.11 -1.14 -4.87 120.40 122.23 1rgr s VAL 128 Ca 0.48 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 57.23 1rgr s VAL 128 Cb 0.14 -2.73 -0.11 0.00 -1.53 0.00 0.00 36.38 32.15 1rgr s VAL 128 CO -0.04 -0.01 1.58 -0.89 -3.33 0.00 0.00 175.10 172.41 1rgr s THR 129 N -3.46 2.13 0.47 5.04 2.01 -1.26 -0.38 115.64 120.19 1rgr s THR 129 Ca 0.37 0.11 0.29 0.00 0.31 0.00 0.00 61.69 62.76 1rgr s THR 129 Cb 0.08 -3.07 0.49 0.00 0.01 0.00 0.00 72.50 70.01 1rgr s THR 129 CO 0.15 0.02 1.76 1.12 -0.69 0.00 0.00 174.62 176.97 1rgr h HIS 130 N 4.96 0.34 -0.78 4.92 2.07 -1.88 -2.13 115.15 122.65 1rgr h HIS 130 Ca -0.47 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.04 1rgr h HIS 130 Cb 1.22 -0.09 -0.04 0.00 2.57 0.00 0.00 27.41 31.07 1rgr h HIS 130 CO 0.59 -0.00 0.39 0.77 -3.07 0.00 0.00 177.93 176.60 1rgr h SER 131 N 0.17 1.00 0.01 3.10 0.02 -1.96 0.80 113.55 116.69 1rgr h SER 131 Ca 0.63 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.36 1rgr h SER 131 Cb 2.07 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 1rgr h SER 131 CO -0.18 0.84 -0.35 0.00 -1.14 0.00 0.00 176.83 176.00 1rgr h ALA 132 N 1.32 0.99 -0.00 3.77 0.00 -1.78 -2.54 119.26 121.02 1rgr h ALA 132 Ca 0.27 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rgr h ALA 132 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rgr h ALA 132 CO -0.04 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.80 1rgr h ALA 133 N 1.23 0.01 -0.79 0.00 0.00 -1.40 0.30 119.26 118.60 1rgr h ALA 133 Ca 0.04 -0.32 0.17 0.00 0.00 0.00 0.00 54.91 54.81 1rgr h ALA 133 Cb 0.80 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1rgr h ALA 133 CO 0.06 -0.17 0.29 -0.24 0.00 0.00 0.00 179.25 179.20 1rgr h VAL 134 N -0.60 0.57 -0.06 0.00 3.04 -0.99 -0.41 116.25 117.80 1rgr h VAL 134 Ca -0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1rgr h VAL 134 Cb 0.64 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1rgr h VAL 134 CO 0.00 0.07 0.02 -0.08 -1.01 0.00 0.00 177.57 176.57 1rgr h GLU 135 N 0.39 0.09 -0.23 4.17 4.57 -1.50 -2.75 114.58 119.32 1rgr h GLU 135 Ca 0.46 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.59 1rgr h GLU 135 Cb 0.77 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1rgr h GLU 135 CO -0.47 0.27 0.02 0.00 -1.18 0.00 0.00 179.01 177.65 1rgr h ALA 136 N 0.82 1.61 -0.41 2.92 0.00 -0.57 0.48 119.26 124.11 1rgr h ALA 136 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rgr h ALA 136 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1rgr h ALA 136 CO -0.00 0.30 0.22 -0.07 0.00 0.00 0.00 179.25 179.69 1rgr h LEU 137 N 0.33 0.33 -0.35 0.00 -0.00 -1.14 -1.18 115.31 113.31 1rgr h LEU 137 Ca 0.08 0.02 -0.19 0.00 -0.00 0.00 0.00 57.88 57.79 1rgr h LEU 137 Cb 0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1rgr h LEU 137 CO 0.00 0.24 -0.65 0.11 -0.00 0.00 0.00 178.44 178.14 1rgr h LYS 138 N 0.44 0.65 0.00 1.13 1.57 -1.13 -3.25 116.57 115.98 1rgr h LYS 138 Ca 0.17 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1rgr h LYS 138 Cb 0.06 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1rgr h LYS 138 CO -0.11 1.09 0.00 1.49 -0.57 0.00 0.00 179.45 181.35 1rgr h GLU 139 N 0.47 0.00 0.00 3.15 4.22 -0.07 -2.88 114.58 119.47 1rgr h GLU 139 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1rgr h GLU 139 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rgr h GLU 139 CO 0.13 0.00 0.21 0.00 -2.18 0.00 0.00 179.01 177.17 1rgr n ALA 140 N -2.08 0.61 -0.49 2.92 0.00 -0.45 -4.98 120.51 116.03 1rgr n ALA 140 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rgr n ALA 140 Cb 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.30 0.03 0.00 0.00 0.00 -1.09 -3.55 105.19 99.28 1rgr n GLY 141 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.19 0.00 -3.47 1.61 7.64 -1.26 -4.41 113.62 112.53 1rgr n SER 142 Ca 0.00 0.25 -0.20 0.00 1.01 0.00 0.00 58.87 59.94 1rgr n SER 142 Cb 0.00 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.82 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 -2.50 -0.31 -0.19 0.44 -0.00 -1.23 -1.30 121.20 116.11 1rgr s ILE 143 Ca 0.00 -0.31 -0.24 0.00 -0.00 0.00 0.00 60.65 60.10 1rgr s ILE 143 Cb 0.00 -0.81 -0.02 0.00 -0.00 0.00 0.00 42.46 41.64 1rgr s ILE 143 CO 0.00 -0.35 0.77 0.68 -0.00 0.00 0.00 174.94 176.04 1rgr s VAL 144 N 2.30 4.92 -0.70 8.37 -7.23 -0.09 -4.80 120.40 123.17 1rgr s VAL 144 Ca 0.08 1.49 -0.07 0.00 -1.81 0.00 0.00 61.98 61.67 1rgr s VAL 144 Cb -0.15 -4.08 0.18 0.00 0.56 0.00 0.00 36.38 32.89 1rgr s VAL 144 CO -0.21 0.04 0.56 -0.13 -0.31 0.00 0.00 175.10 175.04 1rgr s ARG 145 N 2.17 2.94 0.04 4.82 0.52 -1.26 -1.49 118.95 126.68 1rgr s ARG 145 Ca 0.35 -2.52 -0.18 0.00 -0.52 0.00 0.00 55.73 52.86 1rgr s ARG 145 Cb -0.16 -3.98 -0.06 0.00 0.52 0.00 0.00 34.95 31.27 1rgr s ARG 145 CO 0.11 -1.22 0.51 -0.51 0.02 0.00 0.00 175.30 174.22 1rgr s LEU 146 N -0.00 4.49 -0.10 2.53 1.43 0.82 -0.46 118.68 127.40 1rgr s LEU 146 Ca 0.17 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.40 1rgr s LEU 146 Cb -0.17 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.30 1rgr s LEU 146 CO -0.05 0.27 0.01 -0.31 0.23 0.00 0.00 176.35 176.50 1rgr s TYR 147 N -0.97 0.70 -0.13 0.29 2.02 -0.06 -0.68 117.35 118.51 1rgr s TYR 147 Ca 0.27 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 1rgr s TYR 147 Cb -0.18 -0.83 0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1rgr s TYR 147 CO 0.17 -0.38 -0.07 0.14 -1.57 0.00 0.00 175.55 173.84 1rgr s VAL 148 N 1.96 1.02 -0.08 0.71 -7.23 -0.26 -1.21 120.40 115.32 1rgr s VAL 148 Ca 0.04 -0.37 0.04 0.00 -1.81 0.00 0.00 61.98 59.88 1rgr s VAL 148 Cb -0.13 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 1rgr s VAL 148 CO -0.06 0.29 -0.21 -0.32 -0.31 0.00 0.00 175.10 174.49 1rgr s MET 149 N 1.70 2.77 -0.35 4.82 1.75 -0.80 -0.64 119.30 128.55 1rgr s MET 149 Ca 0.04 -0.84 -0.27 0.00 -1.25 0.00 0.00 55.69 53.37 1rgr s MET 149 Cb -0.13 -2.29 0.01 0.00 2.84 0.00 0.00 34.83 35.26 1rgr s MET 149 CO -0.08 0.35 0.98 1.03 -0.65 0.00 0.00 175.02 176.65 1rgr s ARG 150 N -0.07 3.93 -0.58 4.11 0.52 -1.22 -4.47 118.95 121.18 1rgr s ARG 150 Ca -0.05 0.76 -0.17 0.00 -0.52 0.00 0.00 55.73 55.74 1rgr s ARG 150 Cb -0.14 -3.78 0.12 0.00 0.52 0.00 0.00 34.95 31.67 1rgr s ARG 150 CO 0.04 -0.93 0.61 0.50 0.02 0.00 0.00 175.30 175.55 1rgr s ARG 151 N 3.54 3.04 0.43 3.54 3.52 -1.26 -4.49 118.95 127.27 1rgr s ARG 151 Ca 0.41 -1.55 -0.24 0.00 -0.13 0.00 0.00 55.73 54.21 1rgr s ARG 151 Cb -0.12 -4.30 -0.08 0.00 -1.56 0.00 0.00 34.95 28.90 1rgr s ARG 151 CO 0.18 -1.43 1.22 -1.59 -0.81 0.00 0.00 175.30 172.86 1rgr s LYS 152 N 2.08 3.85 -0.04 5.12 -2.85 -1.26 -4.51 119.74 122.13 1rgr s LYS 152 Ca 0.08 1.94 -0.31 0.00 -1.00 0.00 0.00 55.97 56.68 1rgr s LYS 152 Cb -0.26 -2.57 -0.09 0.00 -2.06 0.00 0.00 37.83 32.84 1rgr s LYS 152 CO 0.04 -0.52 1.99 -2.30 0.10 0.00 0.00 175.35 174.66 1rgr n PRO 153 N -0.19 2.53 0.00 1.78 -0.02 -1.26 -5.00 135.00 132.84 1rgr n PRO 153 Ca 0.06 0.90 0.09 0.00 -2.02 0.00 0.00 63.50 62.53 1rgr n PRO 153 Cb 0.46 -2.93 0.56 0.00 -0.02 0.00 0.00 33.50 31.57 1rgr n PRO 153 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18