#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 1.31 -0.03 -0.32 1.13 -1.26 -1.56 117.35 116.62 1rgr s TYR 63 Ca 0.00 -0.34 0.05 0.00 -1.41 0.00 0.00 57.07 55.37 1rgr s TYR 63 Cb 0.00 -0.90 -0.01 0.00 -1.10 0.00 0.00 41.96 39.95 1rgr s TYR 63 CO 0.00 -0.12 -0.19 -1.83 -2.51 0.00 0.00 175.55 170.90 1rgr s GLU 64 N 0.05 1.76 -0.17 -3.49 -1.05 -0.59 -4.95 118.70 110.26 1rgr s GLU 64 Ca -0.02 -0.68 -0.07 0.00 -0.15 0.00 0.00 54.97 54.05 1rgr s GLU 64 Cb -0.09 -1.60 -0.04 0.00 -0.44 0.00 0.00 34.13 31.96 1rgr s GLU 64 CO 0.01 0.35 0.07 -1.83 0.95 0.00 0.00 175.26 174.81 1rgr s GLU 65 N -0.23 3.82 -0.05 -4.83 -1.05 -1.26 -1.74 118.70 113.37 1rgr s GLU 65 Ca 0.02 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1rgr s GLU 65 Cb -0.10 -3.18 0.02 0.00 -0.44 0.00 0.00 34.13 30.43 1rgr s GLU 65 CO 0.01 0.39 -0.02 0.96 0.95 0.00 0.00 175.26 177.54 1rgr s ILE 66 N 0.05 0.40 -0.25 1.83 -4.36 0.01 -4.98 121.20 113.90 1rgr s ILE 66 Ca 0.06 -0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.29 1rgr s ILE 66 Cb -0.12 -0.48 -0.04 0.00 1.25 0.00 0.00 42.46 43.07 1rgr s ILE 66 CO 0.01 0.21 0.38 -0.89 0.24 0.00 0.00 174.94 174.89 1rgr s THR 67 N 1.22 5.18 -0.13 8.37 2.01 -1.26 -0.50 115.64 130.53 1rgr s THR 67 Ca -0.07 0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.58 1rgr s THR 67 Cb -0.14 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1rgr s THR 67 CO -0.02 0.18 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.11 1rgr s LEU 68 N 1.84 2.13 -0.21 4.42 1.02 -0.14 -4.96 118.68 122.79 1rgr s LEU 68 Ca 0.16 -0.58 -0.14 0.00 0.02 0.00 0.00 54.13 53.59 1rgr s LEU 68 Cb -0.15 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 1rgr s LEU 68 CO 0.09 0.11 0.34 -0.70 0.02 0.00 0.00 176.35 176.21 1rgr s GLU 69 N 0.64 4.15 0.00 1.70 2.12 -1.26 -1.06 118.70 124.98 1rgr s GLU 69 Ca -0.11 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1rgr s GLU 69 Cb -0.16 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1rgr s GLU 69 CO 0.02 -0.00 0.00 -2.13 -0.54 0.00 0.00 175.26 172.61 1rgr n ARG 70 N 4.38 0.00 0.00 4.30 3.00 0.27 -4.08 116.66 124.54 1rgr n ARG 70 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1rgr n ARG 70 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1rgr n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rgr n GLY 71 N 0.00 -1.81 5.78 5.14 0.00 -0.44 -4.66 105.19 109.21 1rgr n GLY 71 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 0.28 0.00 0.13 1.61 3.02 -1.26 -2.75 115.26 116.30 1rgr n ASN 72 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 1rgr n ASN 72 Cb 0.00 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.45 1rgr n ASN 72 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1rgr h SER 73 N 0.00 0.00 0.00 6.41 0.02 -1.99 -3.50 113.55 114.49 1rgr h SER 73 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1rgr h SER 73 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rgr h SER 73 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1rgr n GLY 74 N 1.24 -0.48 0.00 -3.77 0.00 -1.11 -4.99 105.19 96.09 1rgr n GLY 74 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.17 0.00 0.99 7.99 -1.26 -1.32 117.00 123.57 1rgr n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1rgr n LEU 75 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1rgr n LEU 75 CO 0.00 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.52 1rgr n GLY 76 N 2.14 1.23 3.33 -0.72 0.00 -1.26 -0.75 105.19 109.16 1rgr n GLY 76 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1rgr n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rgr s PHE 77 N -2.00 -0.42 -0.23 1.61 0.08 -1.26 -1.79 117.98 113.97 1rgr s PHE 77 Ca 0.00 0.93 -0.06 0.00 0.12 0.00 0.00 56.93 57.91 1rgr s PHE 77 Cb 0.00 0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.59 1rgr s PHE 77 CO 0.00 -0.32 0.04 -1.12 -0.10 0.00 0.00 175.22 173.73 1rgr s SER 78 N -0.34 5.05 -0.16 1.36 0.01 0.60 -4.76 113.70 115.46 1rgr s SER 78 Ca -0.05 -0.19 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 1rgr s SER 78 Cb -0.03 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 1rgr s SER 78 CO 0.03 0.01 -0.02 0.27 0.41 0.00 0.00 173.24 173.94 1rgr s ILE 79 N 1.32 4.04 0.12 1.44 -4.36 -1.26 -1.31 121.20 121.19 1rgr s ILE 79 Ca 0.05 -0.30 -0.01 0.00 -0.26 0.00 0.00 60.65 60.12 1rgr s ILE 79 Cb -0.15 -2.79 0.03 0.00 1.25 0.00 0.00 42.46 40.80 1rgr s ILE 79 CO 0.03 0.48 0.17 0.00 0.24 0.00 0.00 174.94 175.85 1rgr n ALA 80 N 3.58 -0.09 -2.83 2.27 0.00 0.91 -4.86 120.51 119.49 1rgr n ALA 80 Ca -0.17 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1rgr n ALA 80 Cb 0.52 0.02 -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 -3.08 1.30 0.00 0.00 0.00 -1.26 -3.73 107.32 100.56 1rgr s GLY 81 Ca 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1rgr s GLY 81 CO 0.07 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.73 1rgr n GLY 82 N -1.52 2.63 0.36 0.20 0.00 -0.35 -4.15 105.19 102.35 1rgr n GLY 82 Ca -0.07 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 43.95 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 0.03 0.95 0.00 2.61 1.35 -1.28 -2.38 112.91 114.19 1rgr h THR 83 Ca 0.00 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.49 1rgr h THR 83 Cb 0.00 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.28 1rgr h THR 83 CO 0.00 0.18 -0.15 -0.78 -0.25 0.00 0.00 175.52 174.52 1rgr h ASP 84 N 1.00 0.00 -2.25 5.36 3.58 -1.95 -3.42 116.42 118.73 1rgr h ASP 84 Ca 0.47 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.52 1rgr h ASP 84 Cb 0.42 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 41.12 1rgr h ASP 84 CO -0.25 0.15 -0.70 0.21 -2.88 0.00 0.00 179.24 175.77 1rgr s ASN 85 N -6.13 2.01 -0.04 2.28 2.47 -0.91 -5.10 114.94 109.52 1rgr s ASN 85 Ca 0.03 -1.27 -0.15 0.00 0.42 0.00 0.00 52.86 51.89 1rgr s ASN 85 Cb 0.08 0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 40.09 1rgr s ASN 85 CO 0.65 -0.35 0.41 -2.16 -3.72 0.00 0.00 177.10 171.92 1rgr s PRO 86 N 1.88 4.02 -0.10 0.43 0.04 -1.11 -1.22 135.00 138.95 1rgr s PRO 86 Ca 0.13 0.39 0.20 0.00 0.04 0.00 0.00 61.00 61.76 1rgr s PRO 86 Cb -0.16 -3.28 -0.29 0.00 0.04 0.00 0.00 34.50 30.81 1rgr s PRO 86 CO -0.21 0.56 0.31 1.58 0.04 0.00 0.00 177.00 179.28 1rgr n HIS 87 N 2.31 0.03 -3.38 0.56 -0.00 -1.26 -4.86 115.22 108.63 1rgr n HIS 87 Ca -0.13 0.01 -0.37 0.00 0.46 0.00 0.00 57.72 57.70 1rgr n HIS 87 Cb 0.52 -0.74 -0.06 0.00 -0.12 0.00 0.00 29.99 29.59 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 -3.04 4.87 -1.02 3.57 1.09 -1.26 -4.99 121.20 120.42 1rgr s ILE 88 Ca -0.09 0.92 0.03 0.00 -1.10 0.00 0.00 60.65 60.41 1rgr s ILE 88 Cb 0.10 -3.77 0.03 0.00 -1.06 0.00 0.00 42.46 37.75 1rgr s ILE 88 CO 0.87 0.41 1.08 0.61 -0.10 0.00 0.00 174.94 177.81 1rgr n GLY 89 N 1.29 -0.59 0.04 6.18 0.00 -1.26 -1.51 105.19 109.34 1rgr n GLY 89 Ca -0.09 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.49 0.35 0.00 1.61 2.03 -1.26 -5.06 116.55 112.73 1rgr n ASP 90 Ca 0.01 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1rgr n ASP 90 Cb 0.03 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1rgr n ASP 91 N -1.33 0.00 -0.78 1.67 -0.08 -0.57 -5.04 116.55 110.43 1rgr n ASP 91 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1rgr n ASP 91 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1rgr n ASP 91 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1rgr n PRO 92 N 0.00 3.60 -0.61 -0.67 -0.04 -1.26 -4.16 135.00 131.86 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 -3.97 -4.63 3.54 7.64 -1.22 -4.77 113.62 110.20 1rgr n SER 93 Ca 0.00 0.47 -0.39 0.00 1.01 0.00 0.00 58.87 59.96 1rgr n SER 93 Cb 0.00 -1.18 -0.08 0.00 -1.01 0.00 0.00 64.21 61.94 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 -2.37 5.16 -0.03 0.44 -1.09 -1.26 -4.33 121.20 117.72 1rgr s ILE 94 Ca 0.00 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.17 1rgr s ILE 94 Cb 0.00 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1rgr s ILE 94 CO 0.00 0.17 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.32 1rgr s PHE 95 N 1.88 1.83 -0.17 3.97 0.40 -1.24 -1.52 117.98 123.13 1rgr s PHE 95 Ca 0.18 -0.42 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 1rgr s PHE 95 Cb -0.15 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.17 1rgr s PHE 95 CO 0.09 -0.09 0.92 0.42 0.70 0.00 0.00 175.22 177.26 1rgr s ILE 96 N -0.29 4.81 -0.12 0.64 1.01 -1.25 -0.06 121.20 125.93 1rgr s ILE 96 Ca 0.03 1.82 0.07 0.00 0.00 0.00 0.00 60.65 62.58 1rgr s ILE 96 Cb -0.09 -4.22 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 1rgr s ILE 96 CO 0.01 -0.03 0.35 0.41 0.00 0.00 0.00 174.94 175.67 1rgr n THR 97 N 4.86 1.59 -4.17 2.92 -1.04 -0.43 -1.09 114.28 116.93 1rgr n THR 97 Ca 0.07 -0.75 -0.11 0.00 -2.04 0.00 0.00 64.05 61.23 1rgr n THR 97 Cb 0.48 -1.14 -0.10 0.00 -1.82 0.00 0.00 70.33 67.75 1rgr n THR 97 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1rgr s LYS 98 N -2.55 1.08 -0.16 -2.82 -2.85 -1.09 -4.80 119.74 106.54 1rgr s LYS 98 Ca -0.14 -1.53 -0.04 0.00 -1.00 0.00 0.00 55.97 53.26 1rgr s LYS 98 Cb 0.07 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1rgr s LYS 98 CO 0.78 -0.33 -0.04 0.96 0.10 0.00 0.00 175.35 176.82 1rgr s ILE 99 N -4.10 3.88 -0.20 3.79 -4.36 -1.26 -0.29 121.20 118.65 1rgr s ILE 99 Ca 0.31 -0.36 -0.26 0.00 -0.26 0.00 0.00 60.65 60.09 1rgr s ILE 99 Cb 0.07 -2.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 1rgr s ILE 99 CO 0.07 0.49 0.87 -0.63 0.24 0.00 0.00 174.94 175.98 1rgr s ILE 100 N 0.44 4.83 0.38 8.37 1.01 -0.74 -4.85 121.20 130.64 1rgr s ILE 100 Ca -0.04 1.69 -0.27 0.00 0.00 0.00 0.00 60.65 62.03 1rgr s ILE 100 Cb -0.14 -4.16 -0.11 0.00 0.01 0.00 0.00 42.46 38.05 1rgr s ILE 100 CO 0.03 -0.04 1.27 -0.81 0.00 0.00 0.00 174.94 175.38 1rgr n PRO 101 N 5.69 2.01 -1.09 2.79 -0.04 -1.26 -2.00 135.00 141.10 1rgr n PRO 101 Ca 0.06 0.71 -0.03 0.00 -0.04 0.00 0.00 63.50 64.20 1rgr n PRO 101 Cb 0.48 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.59 1rgr n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rgr n GLY 102 N 0.81 0.61 3.97 0.55 0.00 -1.26 -5.06 105.19 104.81 1rgr n GLY 102 Ca 0.06 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.47 1.76 0.06 -0.02 0.00 -0.85 -4.94 107.32 100.87 1rgr s GLY 103 Ca 0.00 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 42.95 1rgr s GLY 103 CO 0.00 -0.97 1.56 0.00 0.00 0.00 0.00 173.10 173.69 1rgr h ALA 104 N -0.71 0.14 -0.17 3.20 0.00 -1.09 -2.26 119.26 118.37 1rgr h ALA 104 Ca -0.39 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 1rgr h ALA 104 Cb 1.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1rgr h ALA 104 CO 0.42 -0.23 -0.41 0.00 0.00 0.00 0.00 179.25 179.03 1rgr h ALA 105 N 0.83 0.99 -0.33 0.00 0.00 -1.79 0.18 119.26 119.13 1rgr h ALA 105 Ca 0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1rgr h ALA 105 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rgr h ALA 105 CO -0.00 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 1rgr h ALA 106 N 1.25 0.45 0.15 0.00 0.00 -1.74 -2.86 119.26 116.51 1rgr h ALA 106 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1rgr h ALA 106 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rgr h ALA 106 CO 0.07 0.24 -0.07 0.37 0.00 0.00 0.00 179.25 179.85 1rgr h GLN 107 N 0.40 -0.20 -0.12 0.00 -0.00 -1.37 -3.40 115.11 110.42 1rgr h GLN 107 Ca 0.09 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.69 1rgr h GLN 107 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 1rgr h GLN 107 CO 0.02 -0.13 -0.22 0.22 0.00 0.00 0.00 178.83 178.72 1rgr h ASP 108 N -0.52 0.20 -1.66 -0.69 3.58 -0.84 -3.46 116.42 113.04 1rgr h ASP 108 Ca -0.02 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1rgr h ASP 108 Cb 0.16 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1rgr h ASP 108 CO 0.03 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.44 1rgr n GLY 109 N -0.69 4.41 2.26 -0.78 0.00 -1.08 -5.05 105.19 104.27 1rgr n GLY 109 Ca -0.01 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 0.99 -0.29 1.61 3.00 -1.25 -4.26 116.66 116.47 1rgr n ARG 110 Ca 0.00 -3.27 0.00 0.00 -0.01 0.00 0.00 57.85 54.57 1rgr n ARG 110 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 30.84 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 0.25 0.00 -4.44 0.55 -0.00 -1.26 -5.10 117.00 107.01 1rgr n LEU 111 Ca 0.22 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.92 1rgr n LEU 111 Cb 0.68 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.96 1rgr n LEU 111 CO 0.20 -0.22 -0.49 0.00 -0.00 0.00 0.00 177.39 176.89 1rgr s ARG 112 N 0.13 2.27 0.07 1.47 1.70 -1.26 -5.07 118.95 118.26 1rgr s ARG 112 Ca 0.00 -0.84 -0.15 0.00 -0.47 0.00 0.00 55.73 54.27 1rgr s ARG 112 Cb 0.00 -2.24 -0.04 0.00 -0.57 0.00 0.00 34.95 32.10 1rgr s ARG 112 CO 0.00 0.58 1.25 -0.39 -1.08 0.00 0.00 175.30 175.66 1rgr h VAL 113 N 4.23 0.00 -0.04 4.99 -1.51 -1.90 -3.36 116.25 118.65 1rgr h VAL 113 Ca -0.46 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.97 1rgr h VAL 113 Cb 1.15 0.00 0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1rgr h VAL 113 CO 0.49 0.00 0.45 0.59 -1.23 0.00 0.00 177.57 177.86 1rgr n ASN 114 N -3.98 0.09 -3.86 4.19 4.13 -0.25 -4.15 115.26 111.43 1rgr n ASN 114 Ca -0.00 -2.05 -0.28 0.00 1.68 0.00 0.00 54.58 53.93 1rgr n ASN 114 Cb 0.14 -1.20 -0.16 0.00 -1.54 0.00 0.00 39.78 37.01 1rgr n ASN 114 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1rgr s ASP 115 N 5.38 2.90 -1.16 6.41 1.47 -1.26 -4.96 116.67 125.45 1rgr s ASP 115 Ca 0.50 -0.72 -0.24 0.00 1.18 0.00 0.00 52.55 53.27 1rgr s ASP 115 Cb -0.02 -0.86 -0.13 0.00 -0.34 0.00 0.00 42.92 41.58 1rgr s ASP 115 CO 0.13 -0.21 1.98 -1.20 0.68 0.00 0.00 175.17 176.54 1rgr n SER 116 N 4.90 2.66 -4.55 2.11 7.64 -1.26 -3.78 113.62 121.34 1rgr n SER 116 Ca -0.11 -2.65 -0.39 0.00 1.01 0.00 0.00 58.87 56.73 1rgr n SER 116 Cb 0.47 -1.73 -0.03 0.00 -1.01 0.00 0.00 64.21 61.91 1rgr n SER 116 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1rgr s ILE 117 N 12.46 3.38 -0.20 0.44 -4.36 -0.57 -3.37 121.20 128.97 1rgr s ILE 117 Ca 0.71 0.23 0.01 0.00 -0.26 0.00 0.00 60.65 61.35 1rgr s ILE 117 Cb -0.01 -3.96 -0.21 0.00 1.25 0.00 0.00 42.46 39.52 1rgr s ILE 117 CO 0.15 -0.92 0.03 0.00 0.24 0.00 0.00 174.94 174.44 1rgr n LEU 118 N 12.47 2.53 -4.19 0.37 -0.00 -0.26 -4.23 117.00 123.69 1rgr n LEU 118 Ca 0.20 0.01 -0.26 0.00 -0.00 0.00 0.00 56.01 55.96 1rgr n LEU 118 Cb 0.52 -0.81 -0.15 0.00 -0.00 0.00 0.00 43.42 42.97 1rgr n LEU 118 CO 0.71 0.85 -0.51 -0.36 -0.00 0.00 0.00 177.39 178.08 1rgr s PHE 119 N -2.53 1.70 -0.16 1.47 0.08 -1.18 -2.37 117.98 114.98 1rgr s PHE 119 Ca -0.27 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1rgr s PHE 119 Cb 0.08 -1.08 0.05 0.00 -0.57 0.00 0.00 43.02 41.50 1rgr s PHE 119 CO 0.68 -0.02 0.02 0.08 -0.10 0.00 0.00 175.22 175.88 1rgr s VAL 120 N -0.48 0.57 0.00 -0.44 1.01 -1.13 -0.76 120.40 119.17 1rgr s VAL 120 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1rgr s VAL 120 Cb -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1rgr s VAL 120 CO -0.00 -0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.63 1rgr n ASN 121 N 5.05 0.00 0.00 3.32 3.02 0.07 -2.15 115.26 124.57 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 1.21 -2.62 0.00 0.00 177.26 175.85 1rgr n GLU 122 N 0.00 0.66 -1.86 3.52 4.07 -1.26 -4.95 120.64 120.83 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1rgr n GLU 122 Cb 0.00 -0.09 -0.01 0.00 -0.06 0.00 0.00 31.44 31.28 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1rgr s VAL 123 N -0.39 2.19 -0.94 6.31 1.01 -0.92 -4.97 120.40 122.69 1rgr s VAL 123 Ca 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1rgr s VAL 123 Cb 0.00 -3.11 0.19 0.00 0.00 0.00 0.00 36.38 33.45 1rgr s VAL 123 CO 0.00 0.04 1.01 1.51 0.00 0.00 0.00 175.10 177.66 1rgr s ASP 124 N -0.04 6.81 0.00 3.32 -4.77 -1.26 -2.84 116.67 117.89 1rgr s ASP 124 Ca 0.55 -2.58 0.00 0.00 -3.30 0.00 0.00 52.55 47.22 1rgr s ASP 124 Cb -0.45 -2.30 0.00 0.00 -1.09 0.00 0.00 42.92 39.07 1rgr s ASP 124 CO 0.58 -0.75 0.00 1.33 0.70 0.00 0.00 175.17 177.03 1rgr n VAL 125 N 4.48 0.00 0.00 2.11 0.24 -1.05 -4.91 118.33 119.21 1rgr n VAL 125 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 1rgr n VAL 125 Cb 0.47 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.90 7.34 1.85 -1.00 -3.62 116.66 119.33 1rgr n ARG 126 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 1rgr n ARG 126 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 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 2.25 -3.74 2.89 2.13 -1.26 -3.41 120.64 119.49 1rgr n GLU 127 Ca 0.00 -2.55 -0.10 0.00 0.66 0.00 0.00 57.16 55.17 1rgr n GLU 127 Cb 0.00 -3.38 -0.04 0.00 0.27 0.00 0.00 31.44 28.29 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 6.17 0.03 0.25 6.31 0.11 -1.24 -4.99 120.40 127.03 1rgr s VAL 128 Ca 0.58 -0.80 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 1rgr s VAL 128 Cb 0.07 -1.56 -0.12 0.00 -1.53 0.00 0.00 36.38 33.24 1rgr s VAL 128 CO 0.07 -0.14 1.68 -0.89 -3.33 0.00 0.00 175.10 172.49 1rgr s THR 129 N -3.87 2.01 0.51 5.04 2.01 -1.26 -0.90 115.64 119.18 1rgr s THR 129 Ca 0.09 0.01 0.35 0.00 0.31 0.00 0.00 61.69 62.45 1rgr s THR 129 Cb -0.00 -3.00 0.55 0.00 0.01 0.00 0.00 72.50 70.05 1rgr s THR 129 CO -0.03 0.00 1.76 1.12 -0.69 0.00 0.00 174.62 176.78 1rgr h HIS 130 N 5.99 0.14 -0.86 4.92 2.07 -1.90 -2.09 115.15 123.43 1rgr h HIS 130 Ca -0.45 0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.09 1rgr h HIS 130 Cb 1.21 -0.04 -0.04 0.00 2.57 0.00 0.00 27.41 31.11 1rgr h HIS 130 CO 0.62 -0.01 0.57 0.77 -3.07 0.00 0.00 177.93 176.81 1rgr h SER 131 N 0.07 1.00 0.04 3.10 0.02 -1.98 0.11 113.55 115.90 1rgr h SER 131 Ca 0.63 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.40 1rgr h SER 131 Cb 2.36 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.64 1rgr h SER 131 CO -0.08 0.73 -0.54 0.00 -1.14 0.00 0.00 176.83 175.80 1rgr h ALA 132 N 1.45 0.73 0.37 3.77 0.00 -1.77 -1.42 119.26 122.39 1rgr h ALA 132 Ca 0.32 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1rgr h ALA 132 Cb -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1rgr h ALA 132 CO -0.07 0.69 -0.18 0.00 0.00 0.00 0.00 179.25 179.69 1rgr h ALA 133 N 1.00 -0.50 -0.85 0.00 0.00 -1.43 -0.68 119.26 116.79 1rgr h ALA 133 Ca 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1rgr h ALA 133 Cb 1.07 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1rgr h ALA 133 CO 0.10 -0.78 0.51 -0.24 0.00 0.00 0.00 179.25 178.84 1rgr h VAL 134 N -0.50 0.97 -0.69 0.00 3.04 -0.90 -0.63 116.25 117.53 1rgr h VAL 134 Ca -0.05 -0.30 0.05 0.00 -1.01 0.00 0.00 66.70 65.38 1rgr h VAL 134 Cb 0.39 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.62 1rgr h VAL 134 CO 0.08 0.16 0.41 -0.08 -1.01 0.00 0.00 177.57 177.13 1rgr h GLU 135 N 0.89 0.75 -0.28 4.17 4.57 -1.18 0.00 114.58 123.51 1rgr h GLU 135 Ca 0.40 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.49 1rgr h GLU 135 Cb 0.29 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1rgr h GLU 135 CO -0.22 0.50 0.01 0.00 -1.18 0.00 0.00 179.01 178.12 1rgr h ALA 136 N 1.33 1.50 0.08 2.92 0.00 -0.79 0.17 119.26 124.47 1rgr h ALA 136 Ca 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rgr h ALA 136 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rgr h ALA 136 CO -0.15 0.36 -0.05 -0.07 0.00 0.00 0.00 179.25 179.34 1rgr h LEU 137 N 0.40 -0.13 -0.76 0.00 -0.00 -0.65 -1.16 115.31 113.02 1rgr h LEU 137 Ca 0.09 0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.89 1rgr h LEU 137 Cb 0.25 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 1rgr h LEU 137 CO 0.01 -0.08 -0.03 0.11 -0.00 0.00 0.00 178.44 178.44 1rgr h LYS 138 N -0.13 0.91 0.00 1.13 1.57 -0.93 -3.13 116.57 115.99 1rgr h LYS 138 Ca -0.01 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 1rgr h LYS 138 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1rgr h LYS 138 CO 0.00 0.93 -0.25 1.49 -0.57 0.00 0.00 179.45 181.05 1rgr h GLU 139 N 0.84 0.00 -0.84 3.15 4.57 -0.70 -2.45 114.58 119.16 1rgr h GLU 139 Ca 0.15 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.53 1rgr h GLU 139 Cb 0.54 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 1rgr h GLU 139 CO 0.03 0.25 0.57 0.00 -1.18 0.00 0.00 179.01 178.68 1rgr h ALA 140 N 1.75 2.37 0.00 2.92 0.00 -1.14 -3.48 119.26 121.67 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 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rgr h ALA 140 CO 0.03 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.08 1rgr n GLY 141 N -1.57 1.32 0.33 0.00 0.00 -0.92 -3.25 105.19 101.09 1rgr n GLY 141 Ca 0.17 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 2.86 1.02 -3.35 1.61 7.64 -1.26 -3.33 113.62 118.80 1rgr n SER 142 Ca 0.00 -1.35 -0.12 0.00 1.01 0.00 0.00 58.87 58.40 1rgr n SER 142 Cb 0.00 -0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.99 -0.53 -0.28 0.44 -0.00 -1.20 -0.57 121.20 117.07 1rgr s ILE 143 Ca 0.41 -0.32 -0.22 0.00 -0.00 0.00 0.00 60.65 60.51 1rgr s ILE 143 Cb 0.21 -0.95 -0.01 0.00 -0.00 0.00 0.00 42.46 41.71 1rgr s ILE 143 CO 0.34 -0.32 0.71 0.68 -0.00 0.00 0.00 174.94 176.35 1rgr s VAL 144 N 2.47 4.89 -0.91 8.37 -7.23 -0.23 -4.73 120.40 123.03 1rgr s VAL 144 Ca 0.10 1.17 -0.13 0.00 -1.81 0.00 0.00 61.98 61.31 1rgr s VAL 144 Cb -0.14 -4.04 0.22 0.00 0.56 0.00 0.00 36.38 32.98 1rgr s VAL 144 CO -0.28 -0.11 0.90 -0.13 -0.31 0.00 0.00 175.10 175.17 1rgr s ARG 145 N 2.72 3.75 -0.00 4.82 0.52 -1.26 -0.96 118.95 128.53 1rgr s ARG 145 Ca 0.29 -2.56 -0.19 0.00 -0.52 0.00 0.00 55.73 52.76 1rgr s ARG 145 Cb -0.15 -4.53 -0.06 0.00 0.52 0.00 0.00 34.95 30.74 1rgr s ARG 145 CO 0.10 -1.35 0.53 -0.51 0.02 0.00 0.00 175.30 174.09 1rgr s LEU 146 N 0.16 4.44 -0.16 2.53 1.43 0.34 -0.75 118.68 126.67 1rgr s LEU 146 Ca 0.23 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1rgr s LEU 146 Cb -0.09 -2.80 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1rgr s LEU 146 CO -0.09 0.18 -0.17 -0.31 0.23 0.00 0.00 176.35 176.20 1rgr s TYR 147 N -0.49 2.40 -0.15 0.29 1.51 0.06 -0.81 117.35 120.16 1rgr s TYR 147 Ca 0.28 -1.37 0.01 0.00 -1.01 0.00 0.00 57.07 54.98 1rgr s TYR 147 Cb -0.18 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1rgr s TYR 147 CO 0.16 -0.71 -0.16 0.54 -1.11 0.00 0.00 175.55 174.27 1rgr s VAL 148 N 1.37 1.69 -0.33 0.71 0.11 -0.71 -1.10 120.40 122.14 1rgr s VAL 148 Ca 0.04 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1rgr s VAL 148 Cb -0.13 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.14 1rgr s VAL 148 CO -0.11 0.48 0.37 -0.32 -3.33 0.00 0.00 175.10 172.19 1rgr s MET 149 N 1.38 3.67 0.34 1.54 1.75 -1.22 -1.54 119.30 125.22 1rgr s MET 149 Ca 0.04 -0.30 -0.10 0.00 -1.25 0.00 0.00 55.69 54.08 1rgr s MET 149 Cb -0.13 -3.77 -0.07 0.00 2.84 0.00 0.00 34.83 33.70 1rgr s MET 149 CO -0.10 -0.47 0.68 -0.98 -0.65 0.00 0.00 175.02 173.49 1rgr s ARG 150 N 2.05 3.78 0.18 4.11 1.70 -0.60 -4.57 118.95 125.60 1rgr s ARG 150 Ca 0.13 0.36 0.10 0.00 -0.47 0.00 0.00 55.73 55.85 1rgr s ARG 150 Cb -0.16 -2.50 -0.04 0.00 -0.57 0.00 0.00 34.95 31.67 1rgr s ARG 150 CO 0.11 0.11 -0.18 -0.98 -1.08 0.00 0.00 175.30 173.28 1rgr s ARG 151 N -3.47 1.73 -0.45 3.89 1.70 -1.26 -4.52 118.95 116.57 1rgr s ARG 151 Ca 0.49 -1.41 -0.00 0.00 -0.47 0.00 0.00 55.73 54.34 1rgr s ARG 151 Cb -0.11 -1.98 0.12 0.00 -0.57 0.00 0.00 34.95 32.42 1rgr s ARG 151 CO 0.27 0.42 0.21 0.21 -1.08 0.00 0.00 175.30 175.33 1rgr s LYS 152 N -2.68 1.96 0.26 3.89 2.20 -1.26 -5.11 119.74 119.00 1rgr s LYS 152 Ca 0.22 -2.08 -0.30 0.00 -0.36 0.00 0.00 55.97 53.46 1rgr s LYS 152 Cb -0.08 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1rgr s LYS 152 CO 0.12 -1.06 1.17 -2.14 -0.36 0.00 0.00 175.35 173.08 1rgr s PRO 153 N 0.66 4.54 0.00 4.03 0.02 -1.26 -5.30 135.00 137.69 1rgr s PRO 153 Ca 0.12 1.90 0.04 0.00 0.02 0.00 0.00 61.00 63.08 1rgr s PRO 153 Cb -0.22 -3.19 0.23 0.00 0.02 0.00 0.00 34.50 31.34 1rgr s PRO 153 CO -0.05 0.04 0.70 -0.35 -0.33 0.00 0.00 177.00 177.02