#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 1.17 -0.04 4.31 1.13 -1.26 -1.29 117.35 121.37 1rgr s TYR 63 Ca 0.00 -0.24 0.04 0.00 -1.41 0.00 0.00 57.07 55.46 1rgr s TYR 63 Cb 0.00 -0.74 -0.00 0.00 -1.10 0.00 0.00 41.96 40.11 1rgr s TYR 63 CO 0.00 -0.01 -0.16 -1.21 -2.51 0.00 0.00 175.55 171.66 1rgr s GLU 64 N -0.46 1.68 -0.22 -3.49 2.02 0.46 -4.94 118.70 113.75 1rgr s GLU 64 Ca 0.04 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 1rgr s GLU 64 Cb -0.06 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 1rgr s GLU 64 CO -0.00 0.23 -0.03 -1.83 0.02 0.00 0.00 175.26 173.65 1rgr s GLU 65 N 0.04 3.42 -0.06 1.61 -1.05 -1.26 -0.85 118.70 120.55 1rgr s GLU 65 Ca -0.03 -0.61 -0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1rgr s GLU 65 Cb -0.11 -3.03 0.02 0.00 -0.44 0.00 0.00 34.13 30.57 1rgr s GLU 65 CO 0.02 -0.17 -0.02 0.42 0.95 0.00 0.00 175.26 176.46 1rgr s ILE 66 N 1.42 0.44 -0.25 1.83 1.09 -0.19 -5.01 121.20 120.53 1rgr s ILE 66 Ca 0.05 -0.00 -0.12 0.00 -1.10 0.00 0.00 60.65 59.48 1rgr s ILE 66 Cb -0.14 -0.53 -0.05 0.00 -1.06 0.00 0.00 42.46 40.68 1rgr s ILE 66 CO -0.02 0.23 0.23 -0.89 -0.10 0.00 0.00 174.94 174.39 1rgr s THR 67 N 1.39 5.30 -0.13 2.92 2.01 -1.26 -0.86 115.64 125.01 1rgr s THR 67 Ca -0.04 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1rgr s THR 67 Cb -0.13 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1rgr s THR 67 CO -0.03 0.27 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.22 1rgr s LEU 68 N 1.48 2.28 -0.20 4.42 1.02 0.83 -4.97 118.68 123.53 1rgr s LEU 68 Ca 0.10 -0.52 -0.10 0.00 0.02 0.00 0.00 54.13 53.63 1rgr s LEU 68 Cb -0.15 -1.49 -0.05 0.00 0.02 0.00 0.00 46.19 44.53 1rgr s LEU 68 CO 0.08 0.12 0.12 -0.70 0.02 0.00 0.00 176.35 175.99 1rgr s GLU 69 N 0.62 4.13 0.00 1.70 2.12 -1.26 0.14 118.70 126.15 1rgr s GLU 69 Ca -0.11 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 54.97 1rgr s GLU 69 Cb -0.16 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1rgr s GLU 69 CO 0.03 0.25 0.00 -2.13 -0.54 0.00 0.00 175.26 172.87 1rgr n ARG 70 N 3.66 0.00 0.00 4.30 3.00 0.17 -4.45 116.66 123.34 1rgr n ARG 70 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1rgr n ARG 70 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 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 -1.14 5.73 5.14 0.00 -0.63 -4.52 105.19 109.77 1rgr n GLY 71 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.55 0.00 0.12 1.61 4.13 -1.26 -2.75 115.26 116.56 1rgr n ASN 72 Ca 0.00 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.38 1rgr n ASN 72 Cb 0.00 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.36 1rgr n ASN 72 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1rgr h SER 73 N 0.00 0.00 0.00 6.41 4.64 -2.01 -3.50 113.55 119.08 1rgr h SER 73 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 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 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1rgr n GLY 74 N 1.21 -0.58 0.00 -0.77 0.00 -1.11 -5.02 105.19 98.93 1rgr n GLY 74 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.88 0.00 0.99 7.99 -1.26 -1.60 117.00 124.00 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 0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.64 1rgr n GLY 76 N 2.41 0.95 3.57 -0.72 0.00 -1.26 -1.21 105.19 108.92 1rgr n GLY 76 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.86 -1.05 0.06 1.61 -0.71 -1.26 -1.69 117.98 113.07 1rgr s PHE 77 Ca 0.00 2.03 -0.22 0.00 -1.04 0.00 0.00 56.93 57.70 1rgr s PHE 77 Cb 0.00 0.60 -0.06 0.00 -1.21 0.00 0.00 43.02 42.35 1rgr s PHE 77 CO 0.00 -0.53 0.64 -1.12 -1.34 0.00 0.00 175.22 172.87 1rgr s SER 78 N 1.94 7.11 -0.11 1.98 0.01 0.54 -4.79 113.70 120.38 1rgr s SER 78 Ca -0.09 1.32 0.03 0.00 1.31 0.00 0.00 55.95 58.52 1rgr s SER 78 Cb -0.07 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 1rgr s SER 78 CO -0.18 0.17 -0.20 0.27 0.41 0.00 0.00 173.24 173.70 1rgr s ILE 79 N -0.64 2.39 0.00 1.44 -5.25 -1.26 -2.06 121.20 115.81 1rgr s ILE 79 Ca 0.32 -0.90 0.00 0.00 -0.99 0.00 0.00 60.65 59.08 1rgr s ILE 79 Cb -0.20 -1.95 0.00 0.00 2.95 0.00 0.00 42.46 43.27 1rgr s ILE 79 CO 0.20 0.55 0.00 0.00 -1.79 0.00 0.00 174.94 173.90 1rgr n ALA 80 N 3.49 0.00 -2.57 2.27 0.00 0.46 -4.84 120.51 119.33 1rgr n ALA 80 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 1rgr n ALA 80 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.34 1.43 0.00 0.00 0.00 -1.26 -3.82 107.32 101.33 1rgr s GLY 81 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1rgr s GLY 81 CO 0.00 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.01 1rgr n GLY 82 N -1.79 3.74 0.34 0.20 0.00 -0.33 -4.06 105.19 103.28 1rgr n GLY 82 Ca -0.03 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 43.99 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 0.08 0.86 0.00 2.61 1.35 -1.38 -1.76 112.91 114.68 1rgr h THR 83 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1rgr h THR 83 Cb 0.00 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.35 1rgr h THR 83 CO 0.00 0.16 0.00 -0.78 -0.25 0.00 0.00 175.52 174.65 1rgr h ASP 84 N 0.85 0.00 -1.54 5.36 3.58 -1.95 -3.40 116.42 119.32 1rgr h ASP 84 Ca 0.47 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.65 1rgr h ASP 84 Cb 0.52 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.32 1rgr h ASP 84 CO -0.29 0.00 -0.62 0.21 -2.88 0.00 0.00 179.24 175.66 1rgr s ASN 85 N -4.68 -0.12 -0.24 2.28 2.47 -0.84 -5.09 114.94 108.74 1rgr s ASN 85 Ca 0.07 -1.66 -0.11 0.00 0.42 0.00 0.00 52.86 51.59 1rgr s ASN 85 Cb 0.10 1.09 -0.05 0.00 -1.45 0.00 0.00 41.25 40.95 1rgr s ASN 85 CO 0.52 -0.17 0.19 -2.16 -3.72 0.00 0.00 177.10 171.76 1rgr s PRO 86 N 1.18 4.08 -0.18 0.43 0.04 -0.72 -1.19 135.00 138.64 1rgr s PRO 86 Ca 0.22 -0.22 0.10 0.00 0.04 0.00 0.00 61.00 61.14 1rgr s PRO 86 Cb -0.06 -3.54 -0.18 0.00 0.04 0.00 0.00 34.50 30.76 1rgr s PRO 86 CO -0.07 0.05 -0.03 1.58 0.04 0.00 0.00 177.00 178.57 1rgr n HIS 87 N 4.31 0.00 -3.54 0.56 -0.00 -1.26 -4.97 115.22 110.32 1rgr n HIS 87 Ca -0.14 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.91 1rgr n HIS 87 Cb 0.52 -0.81 -0.04 0.00 -0.12 0.00 0.00 29.99 29.54 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 -2.41 0.03 0.00 3.57 -5.25 -1.26 -5.02 121.20 110.86 1rgr s ILE 88 Ca -0.15 -0.27 0.00 0.00 -0.99 0.00 0.00 60.65 59.24 1rgr s ILE 88 Cb 0.06 -1.04 0.00 0.00 2.95 0.00 0.00 42.46 44.43 1rgr s ILE 88 CO 0.60 -0.15 0.00 0.61 -1.79 0.00 0.00 174.94 174.22 1rgr n GLY 89 N -0.02 0.43 0.27 6.27 0.00 -1.26 -4.12 105.19 106.77 1rgr n GLY 89 Ca -0.17 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 1.37 0.00 1.61 2.03 -1.26 -5.01 116.55 115.30 1rgr n ASP 90 Ca 0.00 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1rgr n ASP 90 Cb 0.00 0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.65 0.00 -0.13 1.67 2.03 -1.26 -5.14 116.55 113.08 1rgr n ASP 91 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1rgr n ASP 91 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 0.00 3.37 -0.79 -0.67 -0.04 -1.26 -4.22 135.00 131.40 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 -4.56 -4.68 3.54 7.64 -1.25 -4.55 113.62 109.77 1rgr n SER 93 Ca 0.00 0.74 -0.39 0.00 1.01 0.00 0.00 58.87 60.24 1rgr n SER 93 Cb 0.00 -1.95 -0.06 0.00 -1.01 0.00 0.00 64.21 61.19 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 -3.52 5.13 0.01 0.44 -1.09 -1.18 -4.23 121.20 116.76 1rgr s ILE 94 Ca 0.00 0.95 0.07 0.00 -2.23 0.00 0.00 60.65 59.43 1rgr s ILE 94 Cb 0.00 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1rgr s ILE 94 CO 0.00 0.23 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.37 1rgr s PHE 95 N 1.31 1.78 -0.25 3.97 0.40 -1.25 -1.66 117.98 122.28 1rgr s PHE 95 Ca 0.25 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 55.98 1rgr s PHE 95 Cb -0.15 -1.11 -0.00 0.00 0.51 0.00 0.00 43.02 42.26 1rgr s PHE 95 CO 0.10 0.02 0.82 0.42 0.70 0.00 0.00 175.22 177.28 1rgr s ILE 96 N -0.61 4.83 -0.00 0.64 1.01 -1.25 -0.40 121.20 125.42 1rgr s ILE 96 Ca 0.07 1.50 0.04 0.00 0.00 0.00 0.00 60.65 62.26 1rgr s ILE 96 Cb -0.08 -4.12 -0.25 0.00 0.01 0.00 0.00 42.46 38.02 1rgr s ILE 96 CO 0.00 -0.10 0.83 0.74 0.00 0.00 0.00 174.94 176.41 1rgr h THR 97 N 5.46 1.11 -4.30 2.92 2.02 -1.70 -0.20 112.91 118.23 1rgr h THR 97 Ca -0.23 -2.84 -0.15 0.00 0.77 0.00 0.00 66.41 63.95 1rgr h THR 97 Cb 1.09 2.64 -0.15 0.00 -1.74 0.00 0.00 68.15 70.00 1rgr h THR 97 CO 0.87 0.75 -0.61 -1.59 0.37 0.00 0.00 175.52 175.31 1rgr s LYS 98 N -2.62 0.86 -0.26 6.66 -2.85 -1.16 -4.76 119.74 115.60 1rgr s LYS 98 Ca -0.07 -1.33 -0.09 0.00 -1.00 0.00 0.00 55.97 53.48 1rgr s LYS 98 Cb 0.08 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1rgr s LYS 98 CO 0.83 -0.23 0.11 0.96 0.10 0.00 0.00 175.35 177.12 1rgr s ILE 99 N -4.00 4.63 0.11 3.79 -4.36 -1.26 -0.34 121.20 119.77 1rgr s ILE 99 Ca 0.18 -0.07 -0.31 0.00 -0.26 0.00 0.00 60.65 60.19 1rgr s ILE 99 Cb 0.07 -3.19 -0.09 0.00 1.25 0.00 0.00 42.46 40.51 1rgr s ILE 99 CO -0.02 0.30 1.56 -0.63 0.24 0.00 0.00 174.94 176.39 1rgr s ILE 100 N 1.66 2.96 0.15 8.37 -1.09 -0.68 -4.86 121.20 127.72 1rgr s ILE 100 Ca 0.07 0.58 -0.33 0.00 -2.23 0.00 0.00 60.65 58.74 1rgr s ILE 100 Cb -0.15 -3.37 -0.13 0.00 -1.58 0.00 0.00 42.46 37.22 1rgr s ILE 100 CO 0.06 0.02 1.65 -2.65 -1.23 0.00 0.00 174.94 172.79 1rgr n PRO 101 N 4.69 2.35 -1.03 2.79 -0.02 -1.26 -1.66 135.00 140.86 1rgr n PRO 101 Ca 0.14 0.85 -0.01 0.00 -2.02 0.00 0.00 63.50 62.46 1rgr n PRO 101 Cb 0.40 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1rgr n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgr n GLY 102 N 3.67 0.42 2.37 -1.23 0.00 -1.26 -5.05 105.19 104.10 1rgr n GLY 102 Ca 0.17 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.76 0.68 0.13 -0.02 0.00 -0.66 -4.96 105.19 98.60 1rgr n GLY 103 Ca -0.01 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.55 -0.22 -0.59 4.61 0.00 -1.31 -2.98 119.26 118.21 1rgr h ALA 104 Ca -0.20 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1rgr h ALA 104 Cb 0.75 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1rgr h ALA 104 CO 0.22 -0.54 0.40 0.00 0.00 0.00 0.00 179.25 179.33 1rgr h ALA 105 N 0.41 2.08 -0.29 0.00 0.00 -1.76 0.01 119.26 119.71 1rgr h ALA 105 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1rgr h ALA 105 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rgr h ALA 105 CO 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.01 1rgr h ALA 106 N 1.70 0.40 0.06 0.00 0.00 -1.73 -3.05 119.26 116.65 1rgr h ALA 106 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rgr h ALA 106 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rgr h ALA 106 CO -0.07 0.20 -0.03 1.96 0.00 0.00 0.00 179.25 181.31 1rgr h GLN 107 N 0.32 -0.08 -0.80 0.00 4.20 -1.32 -3.38 115.11 114.05 1rgr h GLN 107 Ca 0.08 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1rgr h GLN 107 Cb 0.52 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1rgr h GLN 107 CO 0.03 0.42 0.52 -0.44 -0.67 0.00 0.00 178.83 178.69 1rgr h ASP 108 N -0.95 0.89 0.00 1.46 5.19 -1.19 -3.48 116.42 118.35 1rgr h ASP 108 Ca -0.01 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1rgr h ASP 108 Cb 0.54 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1rgr h ASP 108 CO 0.01 0.63 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 1rgr n GLY 109 N -1.32 3.20 2.37 2.75 0.00 -1.15 -5.07 105.19 105.97 1rgr n GLY 109 Ca 0.08 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 0.97 0.26 1.61 1.74 -1.26 -4.30 116.66 115.68 1rgr n ARG 110 Ca 0.00 -2.88 0.09 0.00 -0.77 0.00 0.00 57.85 54.28 1rgr n ARG 110 Cb 0.00 -1.47 0.65 0.00 -1.02 0.00 0.00 32.46 30.62 1rgr n ARG 110 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 1rgr h LEU 111 N 3.07 0.00 -0.90 0.55 -0.00 -1.98 -3.49 115.31 112.56 1rgr h LEU 111 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1rgr h LEU 111 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1rgr h LEU 111 CO 0.38 0.04 -0.62 0.54 -0.00 0.00 0.00 178.44 178.78 1rgr n ARG 112 N -4.37 -3.43 -0.01 0.17 1.74 -1.26 -4.91 116.66 104.59 1rgr n ARG 112 Ca -0.03 2.50 -0.06 0.00 -0.77 0.00 0.00 57.85 59.49 1rgr n ARG 112 Cb 0.13 -2.70 -0.04 0.00 -1.02 0.00 0.00 32.46 28.82 1rgr n ARG 112 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1rgr h VAL 113 N 2.14 0.00 -0.24 1.55 -1.51 -1.90 -3.32 116.25 112.96 1rgr h VAL 113 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.35 1rgr h VAL 113 Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 1rgr h VAL 113 CO 0.00 0.00 0.38 0.21 -1.23 0.00 0.00 177.57 176.93 1rgr s ASN 114 N -3.53 3.96 0.00 4.19 3.84 -0.09 -4.05 114.94 119.27 1rgr s ASN 114 Ca -0.06 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.87 1rgr s ASN 114 Cb 0.03 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1rgr s ASN 114 CO 0.25 -4.19 0.00 -0.90 -2.79 0.00 0.00 177.10 169.48 1rgr n ASP 115 N 17.96 0.47 -3.69 -4.21 5.68 -1.25 -4.96 116.55 126.55 1rgr n ASP 115 Ca 0.43 -1.01 -0.28 0.00 -0.50 0.00 0.00 54.79 53.43 1rgr n ASP 115 Cb 0.47 -0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.33 1rgr n ASP 115 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1rgr n SER 116 N -2.54 1.69 -4.63 -1.12 7.64 -1.06 -3.95 113.62 109.65 1rgr n SER 116 Ca 0.00 -2.90 -0.46 0.00 1.01 0.00 0.00 58.87 56.52 1rgr n SER 116 Cb 0.00 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.48 1rgr n SER 116 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgr n ILE 117 N 2.24 0.52 -0.07 0.44 0.13 -0.66 -0.72 119.36 121.24 1rgr n ILE 117 Ca 0.24 -0.21 -0.13 0.00 -1.10 0.00 0.00 62.75 61.55 1rgr n ILE 117 Cb 0.40 -2.08 -0.05 0.00 -0.84 0.00 0.00 39.64 37.08 1rgr n ILE 117 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1rgr n LEU 118 N 8.34 1.40 -4.15 9.51 -0.00 -0.12 -3.50 117.00 128.49 1rgr n LEU 118 Ca 0.26 0.12 -0.25 0.00 -0.00 0.00 0.00 56.01 56.14 1rgr n LEU 118 Cb 0.34 -0.41 -0.16 0.00 -0.00 0.00 0.00 43.42 43.19 1rgr n LEU 118 CO 0.71 0.38 -0.50 -0.36 -0.00 0.00 0.00 177.39 177.62 1rgr s PHE 119 N -2.25 1.59 -0.22 1.47 0.08 -0.85 -2.33 117.98 115.46 1rgr s PHE 119 Ca -0.19 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.50 1rgr s PHE 119 Cb 0.07 -1.04 0.06 0.00 -0.57 0.00 0.00 43.02 41.53 1rgr s PHE 119 CO 0.25 -0.08 -0.02 0.08 -0.10 0.00 0.00 175.22 175.35 1rgr s VAL 120 N -0.22 1.22 0.00 -0.44 1.01 -1.09 -0.58 120.40 120.29 1rgr s VAL 120 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1rgr s VAL 120 Cb -0.09 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1rgr s VAL 120 CO 0.00 -0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.55 1rgr n ASN 121 N 4.79 0.00 0.00 3.32 3.02 0.02 -2.14 115.26 124.26 1rgr n ASN 121 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1rgr n ASN 121 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.69 -2.11 3.52 1.02 -1.26 -5.00 120.64 118.50 1rgr n GLU 122 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1rgr n GLU 122 Cb 0.00 -0.14 -0.03 0.00 -0.02 0.00 0.00 31.44 31.25 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rgr s VAL 123 N 0.00 3.00 -0.75 2.62 1.01 -0.91 -4.98 120.40 120.38 1rgr s VAL 123 Ca 0.00 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.52 1rgr s VAL 123 Cb 0.00 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.94 1rgr s VAL 123 CO 0.00 0.10 1.15 -0.62 0.00 0.00 0.00 175.10 175.73 1rgr s ASP 124 N 0.62 6.24 0.00 3.32 2.15 -1.26 -2.69 116.67 125.05 1rgr s ASP 124 Ca 0.61 -0.92 0.00 0.00 0.43 0.00 0.00 52.55 52.67 1rgr s ASP 124 Cb -0.39 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 1rgr s ASP 124 CO 0.37 -1.57 0.00 1.33 -0.17 0.00 0.00 175.17 175.13 1rgr n VAL 125 N 6.17 0.00 0.00 1.11 0.24 -0.98 -4.93 118.33 119.93 1rgr n VAL 125 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1rgr n VAL 125 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.63 7.34 1.85 -1.16 -3.46 116.66 119.60 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 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 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 2.85 -4.11 2.89 2.13 -1.26 -3.08 120.64 120.06 1rgr n GLU 127 Ca 0.00 -2.49 -0.11 0.00 0.66 0.00 0.00 57.16 55.23 1rgr n GLU 127 Cb 0.00 -3.20 -0.08 0.00 0.27 0.00 0.00 31.44 28.43 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 3.20 0.02 0.21 6.31 0.11 -1.22 -4.96 120.40 124.06 1rgr s VAL 128 Ca 0.50 -1.74 -0.32 0.00 -2.93 0.00 0.00 61.98 57.49 1rgr s VAL 128 Cb 0.14 -2.28 -0.11 0.00 -1.53 0.00 0.00 36.38 32.60 1rgr s VAL 128 CO -0.07 -0.09 1.65 -0.89 -3.33 0.00 0.00 175.10 172.37 1rgr s THR 129 N -4.08 2.25 0.55 5.04 2.01 -1.26 -1.03 115.64 119.11 1rgr s THR 129 Ca 0.30 0.18 0.36 0.00 0.31 0.00 0.00 61.69 62.84 1rgr s THR 129 Cb 0.04 -3.12 0.54 0.00 0.01 0.00 0.00 72.50 69.98 1rgr s THR 129 CO 0.09 0.02 1.78 1.12 -0.69 0.00 0.00 174.62 176.93 1rgr h HIS 130 N 6.48 0.00 -0.64 4.92 2.07 -1.89 -1.82 115.15 124.26 1rgr h HIS 130 Ca -0.43 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.04 1rgr h HIS 130 Cb 1.20 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.16 1rgr h HIS 130 CO 0.63 0.00 0.23 0.77 -3.07 0.00 0.00 177.93 176.50 1rgr h SER 131 N 0.00 0.88 -0.02 3.10 0.02 -1.96 0.94 113.55 116.50 1rgr h SER 131 Ca 0.55 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 61.22 1rgr h SER 131 Cb 2.29 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.59 1rgr h SER 131 CO -0.01 0.80 -0.47 0.00 -1.14 0.00 0.00 176.83 176.02 1rgr h ALA 132 N 1.32 0.78 0.54 3.77 0.00 -1.73 -2.25 119.26 121.69 1rgr h ALA 132 Ca 0.22 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1rgr h ALA 132 Cb 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1rgr h ALA 132 CO -0.02 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.64 1rgr h ALA 133 N 1.03 -0.72 -0.97 0.00 0.00 -1.37 -0.78 119.26 116.45 1rgr h ALA 133 Ca 0.03 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.91 1rgr h ALA 133 Cb 0.99 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1rgr h ALA 133 CO 0.09 -0.88 0.59 -0.24 0.00 0.00 0.00 179.25 178.81 1rgr h VAL 134 N -0.78 0.82 0.11 0.00 3.04 -0.94 0.33 116.25 118.82 1rgr h VAL 134 Ca -0.07 -0.29 0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1rgr h VAL 134 Cb 0.58 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1rgr h VAL 134 CO 0.12 0.15 -0.13 -0.08 -1.01 0.00 0.00 177.57 176.63 1rgr h GLU 135 N 0.85 -0.26 -0.58 4.17 4.81 -1.38 -1.63 114.58 120.55 1rgr h GLU 135 Ca 0.52 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.78 1rgr h GLU 135 Cb 0.65 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1rgr h GLU 135 CO -0.32 -0.18 0.39 0.00 -0.73 0.00 0.00 179.01 178.17 1rgr h ALA 136 N 0.59 1.62 0.01 2.92 0.00 -0.44 0.39 119.26 124.35 1rgr h ALA 136 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rgr h ALA 136 Cb 0.27 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1rgr h ALA 136 CO -0.05 0.34 -0.24 -0.07 0.00 0.00 0.00 179.25 179.23 1rgr h LEU 137 N 0.76 -0.72 -0.92 0.00 4.07 -0.91 -1.74 115.31 115.84 1rgr h LEU 137 Ca 0.22 0.10 -0.11 0.00 0.08 0.00 0.00 57.88 58.17 1rgr h LEU 137 Cb -0.04 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1rgr h LEU 137 CO -0.05 -0.32 -0.36 0.11 -1.08 0.00 0.00 178.44 176.75 1rgr h LYS 138 N -0.39 0.35 -0.16 1.13 1.57 -0.97 -3.19 116.57 114.91 1rgr h LYS 138 Ca 0.06 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1rgr h LYS 138 Cb 0.46 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1rgr h LYS 138 CO -0.21 0.67 -0.11 1.49 -0.57 0.00 0.00 179.45 180.72 1rgr h GLU 139 N 0.30 0.26 -0.90 3.15 4.81 -0.23 -2.49 114.58 119.47 1rgr h GLU 139 Ca 0.03 -0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.38 1rgr h GLU 139 Cb 0.77 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.04 1rgr h GLU 139 CO 0.06 0.38 0.59 0.00 -0.73 0.00 0.00 179.01 179.30 1rgr h ALA 140 N 1.65 1.96 0.00 2.92 0.00 -1.30 -3.48 119.26 121.01 1rgr h ALA 140 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rgr h ALA 140 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rgr h ALA 140 CO 0.02 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.44 1rgr n GLY 141 N -1.45 0.45 0.00 0.00 0.00 -0.94 -3.33 105.19 99.92 1rgr n GLY 141 Ca 0.19 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.32 1rgr n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rgr n SER 142 N 4.70 0.00 -3.39 1.61 2.88 -1.26 -2.79 113.62 115.37 1rgr n SER 142 Ca 0.00 0.33 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1rgr n SER 142 Cb 0.00 -0.40 -0.09 0.00 -0.75 0.00 0.00 64.21 62.97 1rgr n SER 142 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1rgr s ILE 143 N -2.80 -0.51 -0.36 2.46 -0.00 -1.21 -0.65 121.20 118.13 1rgr s ILE 143 Ca 0.07 -0.15 -0.09 0.00 -0.00 0.00 0.00 60.65 60.47 1rgr s ILE 143 Cb 0.06 -0.82 0.03 0.00 -0.00 0.00 0.00 42.46 41.73 1rgr s ILE 143 CO 0.16 -0.20 0.17 -0.69 -0.00 0.00 0.00 174.94 174.37 1rgr s VAL 144 N 2.47 4.29 -0.76 8.37 1.01 0.12 -4.74 120.40 131.16 1rgr s VAL 144 Ca 0.11 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1rgr s VAL 144 Cb -0.15 -3.39 0.20 0.00 0.00 0.00 0.00 36.38 33.04 1rgr s VAL 144 CO -0.18 -0.20 0.69 0.00 0.00 0.00 0.00 175.10 175.41 1rgr s ARG 145 N 1.50 3.38 0.15 2.72 1.70 -1.26 -0.12 118.95 127.02 1rgr s ARG 145 Ca 0.01 -2.37 -0.16 0.00 -0.47 0.00 0.00 55.73 52.74 1rgr s ARG 145 Cb -0.19 -4.31 -0.07 0.00 -0.57 0.00 0.00 34.95 29.80 1rgr s ARG 145 CO 0.05 -1.28 0.58 -0.51 -1.08 0.00 0.00 175.30 173.06 1rgr s LEU 146 N 0.32 4.35 -0.13 -1.89 1.43 -0.04 -0.80 118.68 121.92 1rgr s LEU 146 Ca 0.16 1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1rgr s LEU 146 Cb -0.14 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 42.83 1rgr s LEU 146 CO -0.07 0.10 -0.01 -0.31 0.23 0.00 0.00 176.35 176.30 1rgr s TYR 147 N -1.45 1.09 0.21 0.29 1.51 0.25 -1.02 117.35 118.23 1rgr s TYR 147 Ca 0.38 -0.64 0.11 0.00 -1.01 0.00 0.00 57.07 55.91 1rgr s TYR 147 Cb -0.16 -1.03 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1rgr s TYR 147 CO 0.19 -0.50 -0.22 0.14 -1.11 0.00 0.00 175.55 174.06 1rgr s VAL 148 N 1.83 2.44 -0.17 0.71 -7.23 -0.03 -0.94 120.40 117.02 1rgr s VAL 148 Ca 0.02 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 1rgr s VAL 148 Cb -0.14 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1rgr s VAL 148 CO -0.07 -0.17 0.09 -0.32 -0.31 0.00 0.00 175.10 174.32 1rgr s MET 149 N -2.85 3.87 -0.34 4.82 1.75 0.10 -0.40 119.30 126.25 1rgr s MET 149 Ca 0.23 -0.27 -0.12 0.00 -1.25 0.00 0.00 55.69 54.28 1rgr s MET 149 Cb -0.07 -3.24 -0.01 0.00 2.84 0.00 0.00 34.83 34.35 1rgr s MET 149 CO 0.11 0.41 0.22 1.03 -0.65 0.00 0.00 175.02 176.14 1rgr s ARG 150 N 0.01 3.33 0.02 4.11 1.81 -0.41 -2.57 118.95 125.25 1rgr s ARG 150 Ca 0.08 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 53.04 1rgr s ARG 150 Cb -0.12 -3.75 -0.04 0.00 -0.45 0.00 0.00 34.95 30.60 1rgr s ARG 150 CO 0.00 -0.50 0.97 1.03 -0.68 0.00 0.00 175.30 176.13 1rgr s ARG 151 N 1.67 4.59 0.06 3.54 0.52 -1.26 -1.15 118.95 126.92 1rgr s ARG 151 Ca 0.05 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 1rgr s ARG 151 Cb -0.18 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.85 1rgr s ARG 151 CO 0.09 0.00 0.00 1.63 0.02 0.00 0.00 175.30 177.04 1rgr n LYS 152 N 3.68 -1.15 -2.01 3.54 5.02 -1.26 -4.95 118.16 121.02 1rgr n LYS 152 Ca 0.05 1.02 -0.39 0.00 -2.02 0.00 0.00 58.31 56.97 1rgr n LYS 152 Cb 0.51 -0.89 0.01 0.00 -0.02 0.00 0.00 35.03 34.64 1rgr n LYS 152 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rgr s PRO 153 N -3.05 3.66 0.00 1.97 0.04 -1.26 -4.86 135.00 131.49 1rgr s PRO 153 Ca 0.00 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.21 1rgr s PRO 153 Cb 0.00 -2.51 0.46 0.00 0.04 0.00 0.00 34.50 32.49 1rgr s PRO 153 CO 0.00 -0.73 0.92 -0.35 0.04 0.00 0.00 177.00 176.88