#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 1.97 -0.08 -0.32 1.13 -1.26 -2.67 117.35 116.12 1rgr s TYR 63 Ca 0.00 -0.49 0.02 0.00 -1.41 0.00 0.00 57.07 55.20 1rgr s TYR 63 Cb 0.00 -1.29 -0.02 0.00 -1.10 0.00 0.00 41.96 39.55 1rgr s TYR 63 CO 0.00 -0.12 -0.14 -1.21 -2.51 0.00 0.00 175.55 171.58 1rgr s GLU 64 N -0.25 2.84 -0.27 -3.49 2.02 0.29 -4.91 118.70 114.93 1rgr s GLU 64 Ca 0.02 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.21 1rgr s GLU 64 Cb -0.11 -2.48 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 1rgr s GLU 64 CO 0.01 0.47 0.20 -1.21 0.02 0.00 0.00 175.26 174.75 1rgr s GLU 65 N -0.32 3.99 -0.16 1.61 8.01 -1.26 -1.44 118.70 129.13 1rgr s GLU 65 Ca 0.03 -0.27 -0.01 0.00 0.01 0.00 0.00 54.97 54.72 1rgr s GLU 65 Cb -0.13 -3.63 0.04 0.00 -4.31 0.00 0.00 34.13 26.11 1rgr s GLU 65 CO 0.02 -0.12 -0.03 0.42 0.01 0.00 0.00 175.26 175.57 1rgr s ILE 66 N 1.59 0.90 -0.22 -1.63 1.01 0.50 -5.02 121.20 118.32 1rgr s ILE 66 Ca 0.08 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 1rgr s ILE 66 Cb -0.15 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1rgr s ILE 66 CO 0.09 0.08 0.30 -0.89 0.00 0.00 0.00 174.94 174.53 1rgr s THR 67 N 1.72 5.26 0.28 2.92 2.01 -1.26 -0.71 115.64 125.86 1rgr s THR 67 Ca 0.01 0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.55 1rgr s THR 67 Cb -0.15 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 1rgr s THR 67 CO -0.07 0.28 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.92 1rgr s LEU 68 N 1.25 2.31 0.33 4.42 2.96 -0.72 -4.94 118.68 124.29 1rgr s LEU 68 Ca 0.14 -1.26 -0.26 0.00 -0.22 0.00 0.00 54.13 52.53 1rgr s LEU 68 Cb -0.14 -0.46 -0.10 0.00 0.50 0.00 0.00 46.19 45.99 1rgr s LEU 68 CO 0.07 -0.48 0.95 -1.61 -1.32 0.00 0.00 176.35 173.96 1rgr s GLU 69 N -3.82 4.57 -1.25 1.98 2.02 -1.26 -1.00 118.70 119.94 1rgr s GLU 69 Ca 0.32 1.33 -0.20 0.00 0.02 0.00 0.00 54.97 56.44 1rgr s GLU 69 Cb 0.06 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1rgr s GLU 69 CO 0.12 0.27 1.84 -2.13 0.02 0.00 0.00 175.26 175.38 1rgr n ARG 70 N 0.53 2.54 0.00 1.61 0.63 -0.57 -4.60 116.66 116.80 1rgr n ARG 70 Ca 0.02 -2.91 0.00 0.00 -0.92 0.00 0.00 57.85 54.04 1rgr n ARG 70 Cb 0.50 -3.56 0.00 0.00 0.45 0.00 0.00 32.46 29.85 1rgr n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rgr n GLY 71 N 5.47 3.04 1.89 5.14 0.00 -1.11 -4.43 105.19 115.19 1rgr n GLY 71 Ca 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1rgr n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rgr n ASN 72 N 2.72 -0.04 0.02 1.61 2.85 -1.26 -4.79 115.26 116.37 1rgr n ASN 72 Ca 0.00 0.42 0.11 0.00 -0.11 0.00 0.00 54.58 55.01 1rgr n ASN 72 Cb 0.00 0.31 -0.11 0.00 1.24 0.00 0.00 39.78 41.22 1rgr n ASN 72 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1rgr n SER 73 N -3.41 0.30 0.00 1.20 7.64 -1.26 -5.01 113.62 113.08 1rgr n SER 73 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1rgr n SER 73 Cb 0.01 1.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.69 1rgr n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rgr n GLY 74 N 1.26 3.01 1.89 0.23 0.00 -1.26 -5.13 105.19 105.19 1rgr n GLY 74 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1rgr n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rgr n LEU 75 N 0.00 -0.04 0.00 0.99 0.00 -1.26 -2.96 117.00 113.73 1rgr n LEU 75 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 56.01 56.44 1rgr n LEU 75 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 43.42 43.73 1rgr n LEU 75 CO 0.00 -0.77 0.00 0.61 0.00 0.00 0.00 177.39 177.23 1rgr n GLY 76 N 1.73 0.95 3.38 -3.96 0.00 -1.26 -1.19 105.19 104.83 1rgr n GLY 76 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.44 -0.40 -0.08 1.61 -0.12 -1.26 -1.41 117.98 114.87 1rgr s PHE 77 Ca 0.00 0.27 -0.11 0.00 -0.05 0.00 0.00 56.93 57.04 1rgr s PHE 77 Cb 0.00 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 1rgr s PHE 77 CO 0.00 -0.72 0.27 -1.12 -0.05 0.00 0.00 175.22 173.60 1rgr s SER 78 N -2.42 6.56 -0.20 1.98 0.01 0.43 -4.79 113.70 115.26 1rgr s SER 78 Ca -0.01 0.66 -0.06 0.00 1.31 0.00 0.00 55.95 57.85 1rgr s SER 78 Cb -0.00 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 1rgr s SER 78 CO -0.08 0.31 0.02 0.27 0.41 0.00 0.00 173.24 174.17 1rgr s ILE 79 N -0.71 4.18 0.79 1.44 -4.36 -1.26 -0.27 121.20 121.00 1rgr s ILE 79 Ca 0.18 -0.24 -0.11 0.00 -0.26 0.00 0.00 60.65 60.23 1rgr s ILE 79 Cb -0.14 -2.89 0.18 0.00 1.25 0.00 0.00 42.46 40.86 1rgr s ILE 79 CO 0.07 0.43 1.08 0.00 0.24 0.00 0.00 174.94 176.76 1rgr n ALA 80 N 4.09 -0.94 -2.50 2.27 0.00 0.37 -4.77 120.51 119.04 1rgr n ALA 80 Ca -0.17 -1.55 -0.26 0.00 0.00 0.00 0.00 53.44 51.46 1rgr n ALA 80 Cb 0.52 0.02 -0.01 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 -5.32 1.48 0.06 0.00 0.00 -1.26 -3.70 107.32 98.58 1rgr s GLY 81 Ca 0.63 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1rgr s GLY 81 CO 0.44 -0.60 0.04 0.61 0.00 0.00 0.00 173.10 173.59 1rgr n GLY 82 N -1.81 2.95 0.32 0.20 0.00 -1.05 -4.18 105.19 101.63 1rgr n GLY 82 Ca -0.02 -2.18 0.18 0.00 0.00 0.00 0.00 46.02 44.00 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 0.48 0.21 0.00 2.61 1.35 -1.36 -0.24 112.91 115.96 1rgr h THR 83 Ca -0.03 -0.05 -0.16 0.00 -0.55 0.00 0.00 66.41 65.61 1rgr h THR 83 Cb 0.13 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.56 1rgr h THR 83 CO 0.05 0.03 -0.78 -0.78 -0.25 0.00 0.00 175.52 173.79 1rgr h ASP 84 N 0.16 0.00 -1.71 5.36 3.58 -1.96 -3.41 116.42 118.44 1rgr h ASP 84 Ca 0.64 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.59 1rgr h ASP 84 Cb 1.42 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 42.13 1rgr h ASP 84 CO -0.72 0.78 -0.97 -3.20 -2.88 0.00 0.00 179.24 172.25 1rgr n ASN 85 N -3.42 -0.54 -4.81 2.28 5.15 -0.38 -5.09 115.26 108.45 1rgr n ASN 85 Ca 0.00 -2.74 -0.33 0.00 -0.60 0.00 0.00 54.58 50.91 1rgr n ASN 85 Cb 0.81 -0.16 -0.06 0.00 -0.53 0.00 0.00 39.78 39.84 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 -0.62 3.14 0.52 1.20 0.04 -0.24 -2.53 135.00 136.50 1rgr s PRO 86 Ca 0.34 -0.46 0.24 0.00 0.04 0.00 0.00 61.00 61.16 1rgr s PRO 86 Cb 0.15 -2.91 1.40 0.00 0.04 0.00 0.00 34.50 33.19 1rgr s PRO 86 CO -0.14 0.65 2.10 1.25 0.04 0.00 0.00 177.00 180.89 1rgr h HIS 87 N 3.99 0.00 -3.19 0.56 2.76 -1.87 -3.44 115.15 113.96 1rgr h HIS 87 Ca -0.49 0.00 -0.65 0.00 -2.20 0.00 0.00 60.37 57.03 1rgr h HIS 87 Cb 1.18 0.00 -0.34 0.00 1.55 0.00 0.00 27.41 29.80 1rgr h HIS 87 CO 0.65 0.10 -0.86 0.42 -1.30 0.00 0.00 177.93 176.94 1rgr s ILE 88 N -4.48 1.88 -0.87 6.26 1.09 -1.26 -5.01 121.20 118.81 1rgr s ILE 88 Ca -0.04 -0.86 0.20 0.00 -1.10 0.00 0.00 60.65 58.85 1rgr s ILE 88 Cb 0.15 -1.69 0.18 0.00 -1.06 0.00 0.00 42.46 40.04 1rgr s ILE 88 CO 0.61 0.51 1.62 0.61 -0.10 0.00 0.00 174.94 178.19 1rgr n GLY 89 N 4.23 -1.19 0.00 6.18 0.00 -1.26 -3.80 105.19 109.35 1rgr n GLY 89 Ca -0.20 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.71 0.88 -3.38 1.61 2.03 -1.26 -4.86 116.55 109.87 1rgr n ASP 90 Ca 0.04 -0.89 -0.25 0.00 0.52 0.00 0.00 54.79 54.21 1rgr n ASP 90 Cb 0.23 1.07 -0.10 0.00 -0.72 0.00 0.00 41.12 41.60 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1rgr s ASP 91 N -2.95 1.88 -0.64 1.67 2.15 -1.25 -5.08 116.67 112.45 1rgr s ASP 91 Ca 0.06 -2.36 -0.26 0.00 0.43 0.00 0.00 52.55 50.42 1rgr s ASP 91 Cb 0.15 -0.12 -0.05 0.00 -0.30 0.00 0.00 42.92 42.59 1rgr s ASP 91 CO 0.80 -0.24 2.10 -2.16 -0.17 0.00 0.00 175.17 175.50 1rgr s PRO 92 N 0.78 2.34 -0.28 4.34 0.04 -1.26 -4.67 135.00 136.29 1rgr s PRO 92 Ca 0.24 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1rgr s PRO 92 Cb -0.11 -4.59 0.10 0.00 0.04 0.00 0.00 34.50 29.93 1rgr s PRO 92 CO -0.07 -3.19 0.72 0.45 0.04 0.00 0.00 177.00 174.96 1rgr s SER 93 N 9.63 -0.92 -0.16 6.66 0.15 -1.24 -3.45 113.70 124.37 1rgr s SER 93 Ca 0.79 1.44 -0.29 0.00 0.70 0.00 0.00 55.95 58.59 1rgr s SER 93 Cb -0.13 1.51 -0.01 0.00 -1.71 0.00 0.00 66.02 65.68 1rgr s SER 93 CO 0.18 -0.22 1.20 -0.63 1.20 0.00 0.00 173.24 174.97 1rgr s ILE 94 N 1.81 4.37 -0.04 6.45 -1.09 -0.84 -4.61 121.20 127.24 1rgr s ILE 94 Ca -0.09 1.66 0.02 0.00 -2.23 0.00 0.00 60.65 60.00 1rgr s ILE 94 Cb -0.06 -4.07 0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1rgr s ILE 94 CO -0.19 -0.12 -0.07 0.72 -1.23 0.00 0.00 174.94 174.05 1rgr s PHE 95 N 3.17 0.90 0.11 3.97 -0.71 -1.24 -1.63 117.98 122.55 1rgr s PHE 95 Ca 0.53 -0.26 -0.31 0.00 -1.04 0.00 0.00 56.93 55.85 1rgr s PHE 95 Cb -0.21 -0.72 -0.09 0.00 -1.21 0.00 0.00 43.02 40.80 1rgr s PHE 95 CO 0.14 -0.17 1.56 0.42 -1.34 0.00 0.00 175.22 175.83 1rgr s ILE 96 N 0.65 2.94 -0.12 -4.49 1.01 -1.25 -0.48 121.20 119.47 1rgr s ILE 96 Ca -0.10 0.57 -0.26 0.00 0.00 0.00 0.00 60.65 60.86 1rgr s ILE 96 Cb -0.13 -3.37 -0.27 0.00 0.01 0.00 0.00 42.46 38.71 1rgr s ILE 96 CO 0.01 0.02 0.73 0.74 0.00 0.00 0.00 174.94 176.44 1rgr h THR 97 N 4.41 1.60 -4.13 2.92 2.02 -0.92 -1.03 112.91 117.77 1rgr h THR 97 Ca -0.42 -2.38 -0.13 0.00 0.77 0.00 0.00 66.41 64.25 1rgr h THR 97 Cb 1.20 3.20 -0.14 0.00 -1.74 0.00 0.00 68.15 70.67 1rgr h THR 97 CO 0.91 0.61 -0.51 -1.59 0.37 0.00 0.00 175.52 175.31 1rgr s LYS 98 N -2.30 0.94 -0.28 6.66 -2.85 -1.07 -4.79 119.74 116.06 1rgr s LYS 98 Ca -0.19 -1.25 -0.07 0.00 -1.00 0.00 0.00 55.97 53.47 1rgr s LYS 98 Cb -0.01 0.29 -0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1rgr s LYS 98 CO 0.72 -0.29 0.06 0.96 0.10 0.00 0.00 175.35 176.90 1rgr s ILE 99 N -3.97 3.98 0.11 3.79 -4.36 -1.26 -0.43 121.20 119.05 1rgr s ILE 99 Ca 0.16 -0.55 -0.31 0.00 -0.26 0.00 0.00 60.65 59.69 1rgr s ILE 99 Cb 0.06 -2.98 -0.08 0.00 1.25 0.00 0.00 42.46 40.70 1rgr s ILE 99 CO -0.03 0.18 1.44 -0.63 0.24 0.00 0.00 174.94 176.14 1rgr s ILE 100 N 1.52 3.19 0.22 8.37 1.09 -0.50 -4.92 121.20 130.17 1rgr s ILE 100 Ca 0.04 0.82 -0.31 0.00 -1.10 0.00 0.00 60.65 60.10 1rgr s ILE 100 Cb -0.16 -3.53 -0.11 0.00 -1.06 0.00 0.00 42.46 37.59 1rgr s ILE 100 CO 0.02 0.05 1.66 -2.84 -0.10 0.00 0.00 174.94 173.73 1rgr s PRO 101 N 1.35 4.14 0.00 2.79 0.02 -1.26 -1.42 135.00 140.62 1rgr s PRO 101 Ca 0.66 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1rgr s PRO 101 Cb -0.38 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1rgr s PRO 101 CO 0.30 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1rgr n GLY 102 N 3.54 0.93 3.84 0.52 0.00 -1.26 -5.07 105.19 107.70 1rgr n GLY 102 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.98 1.85 0.51 -0.02 0.00 -0.51 -4.95 107.32 102.23 1rgr s GLY 103 Ca 0.00 0.09 0.26 0.00 0.00 0.00 0.00 44.72 45.07 1rgr s GLY 103 CO 0.00 0.38 2.06 0.00 0.00 0.00 0.00 173.10 175.53 1rgr h ALA 104 N 0.10 1.32 -0.39 3.20 0.00 -1.37 -2.72 119.26 119.41 1rgr h ALA 104 Ca -0.45 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1rgr h ALA 104 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1rgr h ALA 104 CO 0.60 0.16 0.08 0.00 0.00 0.00 0.00 179.25 180.10 1rgr h ALA 105 N 1.87 0.51 -0.28 0.00 0.00 -1.78 0.64 119.26 120.21 1rgr h ALA 105 Ca -0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1rgr h ALA 105 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rgr h ALA 105 CO 0.02 0.21 -0.50 0.00 0.00 0.00 0.00 179.25 178.98 1rgr h ALA 106 N 0.93 0.58 0.45 0.00 0.00 -1.71 -2.79 119.26 116.73 1rgr h ALA 106 Ca 0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1rgr h ALA 106 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rgr h ALA 106 CO 0.00 0.68 -0.22 0.37 0.00 0.00 0.00 179.25 180.09 1rgr h GLN 107 N 0.62 -0.59 0.06 0.00 4.15 -1.53 -3.41 115.11 114.41 1rgr h GLN 107 Ca 0.03 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1rgr h GLN 107 Cb 1.08 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1rgr h GLN 107 CO 0.11 -0.39 -0.03 0.22 -1.93 0.00 0.00 178.83 176.81 1rgr h ASP 108 N -0.89 -0.07 -1.39 -0.69 1.82 -1.02 -3.47 116.42 110.70 1rgr h ASP 108 Ca -0.06 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1rgr h ASP 108 Cb 0.47 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1rgr h ASP 108 CO 0.10 0.41 0.00 0.61 -1.61 0.00 0.00 179.24 178.76 1rgr n GLY 109 N 0.22 6.84 2.65 -0.78 0.00 -1.05 -5.08 105.19 107.99 1rgr n GLY 109 Ca -0.08 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.01 0.73 -0.56 1.61 1.74 -1.24 -4.17 116.66 114.76 1rgr n ARG 110 Ca 0.00 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 1rgr n ARG 110 Cb 0.00 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.76 0.00 -4.92 0.55 -0.00 -1.26 -5.13 117.00 108.00 1rgr n LEU 111 Ca 0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.94 1rgr n LEU 111 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.00 1rgr n LEU 111 CO 0.06 -0.46 0.01 0.00 -0.00 0.00 0.00 177.39 177.01 1rgr s ARG 112 N -2.00 2.81 0.00 1.47 3.03 -1.26 -5.04 118.95 117.95 1rgr s ARG 112 Ca 0.00 -1.26 -0.00 0.00 2.03 0.00 0.00 55.73 56.50 1rgr s ARG 112 Cb 0.00 -2.60 -0.00 0.00 -1.03 0.00 0.00 34.95 31.32 1rgr s ARG 112 CO 0.00 -0.04 0.80 -0.39 -1.13 0.00 0.00 175.30 174.54 1rgr h VAL 113 N 1.00 0.00 -0.02 4.99 -1.51 -1.90 -3.38 116.25 115.43 1rgr h VAL 113 Ca -0.43 -0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 64.89 1rgr h VAL 113 Cb 1.26 0.00 0.04 0.00 -2.13 0.00 0.00 31.29 30.46 1rgr h VAL 113 CO 0.54 0.00 0.71 0.59 -1.23 0.00 0.00 177.57 178.18 1rgr n ASN 114 N -2.01 -0.15 -3.75 4.19 4.13 -0.39 -3.78 115.26 113.49 1rgr n ASN 114 Ca -0.00 -1.74 -0.28 0.00 1.68 0.00 0.00 54.58 54.24 1rgr n ASN 114 Cb 0.00 -0.73 -0.16 0.00 -1.54 0.00 0.00 39.78 37.35 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 4.69 2.89 -0.92 6.41 1.01 -1.26 -4.95 116.67 124.53 1rgr s ASP 115 Ca 0.38 -0.80 -0.24 0.00 0.71 0.00 0.00 52.55 52.60 1rgr s ASP 115 Cb 0.02 -0.62 0.03 0.00 1.01 0.00 0.00 42.92 43.37 1rgr s ASP 115 CO 0.14 -0.29 1.46 -0.44 0.21 0.00 0.00 175.17 176.24 1rgr s SER 116 N 1.84 6.26 -0.08 0.27 0.01 -1.20 -3.87 113.70 116.92 1rgr s SER 116 Ca -0.01 -1.06 -0.31 0.00 1.31 0.00 0.00 55.95 55.88 1rgr s SER 116 Cb -0.17 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 1rgr s SER 116 CO -0.08 -1.73 2.04 0.00 0.41 0.00 0.00 173.24 173.88 1rgr n ILE 117 N 6.84 0.58 -0.14 1.44 0.13 -0.65 -1.76 119.36 125.81 1rgr n ILE 117 Ca 0.25 -0.22 -0.29 0.00 -1.10 0.00 0.00 62.75 61.39 1rgr n ILE 117 Cb 0.50 -2.24 -0.10 0.00 -0.84 0.00 0.00 39.64 36.96 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 8.59 1.94 -4.10 9.51 -0.00 -0.27 -2.03 117.00 130.64 1rgr n LEU 118 Ca 0.25 0.34 -0.26 0.00 -0.00 0.00 0.00 56.01 56.33 1rgr n LEU 118 Cb 0.38 -0.81 -0.16 0.00 -0.00 0.00 0.00 43.42 42.83 1rgr n LEU 118 CO 0.69 0.54 -0.50 -0.36 -0.00 0.00 0.00 177.39 177.77 1rgr s PHE 119 N -2.52 1.70 -0.18 1.47 0.08 -1.13 -1.43 117.98 115.97 1rgr s PHE 119 Ca -0.38 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.12 1rgr s PHE 119 Cb 0.14 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 1rgr s PHE 119 CO 0.48 -0.23 -0.13 0.54 -0.10 0.00 0.00 175.22 175.79 1rgr s VAL 120 N 0.27 1.67 0.00 -0.44 0.11 -0.82 -1.15 120.40 120.04 1rgr s VAL 120 Ca -0.09 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1rgr s VAL 120 Cb -0.13 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1rgr s VAL 120 CO 0.03 0.33 0.00 0.59 -3.33 0.00 0.00 175.10 172.72 1rgr n ASN 121 N 4.71 0.00 0.00 3.54 3.02 -0.05 -2.31 115.26 124.17 1rgr n ASN 121 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 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 0.00 -2.06 3.52 0.00 -1.26 -4.97 120.64 115.87 1rgr n GLU 122 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1rgr n GLU 122 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1rgr n GLU 122 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1rgr s VAL 123 N -0.20 2.83 -0.73 6.31 1.01 -0.98 -4.98 120.40 123.65 1rgr s VAL 123 Ca 0.00 0.67 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 1rgr s VAL 123 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1rgr s VAL 123 CO 0.00 0.10 1.15 1.51 0.00 0.00 0.00 175.10 177.86 1rgr s ASP 124 N 0.50 6.21 0.00 3.32 -4.77 -1.26 -1.95 116.67 118.72 1rgr s ASP 124 Ca 0.60 -0.81 0.00 0.00 -3.30 0.00 0.00 52.55 49.04 1rgr s ASP 124 Cb -0.40 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 38.93 1rgr s ASP 124 CO 0.40 -1.62 0.00 1.33 0.70 0.00 0.00 175.17 175.98 1rgr n VAL 125 N 6.18 0.00 0.00 2.11 0.24 -0.51 -4.89 118.33 121.46 1rgr n VAL 125 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1rgr n VAL 125 Cb 0.48 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.58 7.34 1.85 -0.86 -3.10 116.66 119.31 1rgr n ARG 126 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 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 -2.00 -0.01 0.00 0.00 177.63 175.62 1rgr s GLU 127 N 0.00 3.94 0.20 2.89 -6.30 -1.22 -1.99 118.70 116.21 1rgr s GLU 127 Ca 0.00 -1.90 -0.10 0.00 -2.50 0.00 0.00 54.97 50.48 1rgr s GLU 127 Cb 0.00 -5.52 -0.01 0.00 0.00 0.00 0.00 34.13 28.61 1rgr s GLU 127 CO 0.00 -2.25 0.35 0.54 0.02 0.00 0.00 175.26 173.92 1rgr s VAL 128 N 4.31 0.03 0.25 3.70 0.11 -1.18 -4.97 120.40 122.65 1rgr s VAL 128 Ca 0.53 -1.43 -0.31 0.00 -2.93 0.00 0.00 61.98 57.84 1rgr s VAL 128 Cb 0.03 -2.03 -0.12 0.00 -1.53 0.00 0.00 36.38 32.74 1rgr s VAL 128 CO 0.06 -0.15 1.65 -0.89 -3.33 0.00 0.00 175.10 172.44 1rgr s THR 129 N -4.00 2.08 0.47 5.04 2.01 -1.26 -0.98 115.64 119.00 1rgr s THR 129 Ca 0.21 0.06 0.30 0.00 0.31 0.00 0.00 61.69 62.57 1rgr s THR 129 Cb 0.02 -3.04 0.50 0.00 0.01 0.00 0.00 72.50 69.99 1rgr s THR 129 CO 0.04 0.01 1.74 1.12 -0.69 0.00 0.00 174.62 176.84 1rgr h HIS 130 N 5.86 0.34 -0.68 4.92 2.07 -1.90 -2.23 115.15 123.52 1rgr h HIS 130 Ca -0.45 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.04 1rgr h HIS 130 Cb 1.21 -0.09 -0.03 0.00 2.57 0.00 0.00 27.41 31.07 1rgr h HIS 130 CO 0.61 -0.02 0.26 0.77 -3.07 0.00 0.00 177.93 176.48 1rgr h SER 131 N 0.15 0.92 -0.10 3.10 0.02 -1.98 0.12 113.55 115.78 1rgr h SER 131 Ca 0.66 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.40 1rgr h SER 131 Cb 2.19 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.48 1rgr h SER 131 CO -0.19 0.83 -0.16 0.00 -1.14 0.00 0.00 176.83 176.16 1rgr h ALA 132 N 1.31 1.22 0.09 3.77 0.00 -1.80 -2.45 119.26 121.40 1rgr h ALA 132 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rgr h ALA 132 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rgr h ALA 132 CO -0.02 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 1rgr h ALA 133 N 1.40 -0.13 -0.82 0.00 0.00 -1.43 0.15 119.26 118.43 1rgr h ALA 133 Ca 0.08 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.92 1rgr h ALA 133 Cb 0.54 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 1rgr h ALA 133 CO 0.03 -0.31 0.34 -0.24 0.00 0.00 0.00 179.25 179.07 1rgr h VAL 134 N -0.65 0.59 -0.13 0.00 3.04 -1.11 -0.66 116.25 117.33 1rgr h VAL 134 Ca -0.01 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.51 1rgr h VAL 134 Cb 0.52 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 1rgr h VAL 134 CO 0.02 0.08 0.03 -0.08 -1.01 0.00 0.00 177.57 176.61 1rgr h GLU 135 N 0.44 0.21 -0.09 4.17 4.57 -1.45 -2.43 114.58 119.99 1rgr h GLU 135 Ca 0.47 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.50 1rgr h GLU 135 Cb 0.79 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1rgr h GLU 135 CO -0.46 0.38 -0.40 0.00 -1.18 0.00 0.00 179.01 177.35 1rgr h ALA 136 N 0.82 1.16 0.21 2.92 0.00 -0.73 0.17 119.26 123.80 1rgr h ALA 136 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1rgr h ALA 136 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rgr h ALA 136 CO 0.00 0.57 -0.10 -0.07 0.00 0.00 0.00 179.25 179.65 1rgr h LEU 137 N 0.16 -0.24 -1.00 0.00 4.07 -1.17 -1.62 115.31 115.51 1rgr h LEU 137 Ca 0.02 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 1rgr h LEU 137 Cb 0.79 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 1rgr h LEU 137 CO 0.06 -0.16 -0.25 0.07 -1.08 0.00 0.00 178.44 177.08 1rgr h LYS 138 N -0.30 0.42 0.00 1.13 2.10 -1.44 -3.23 116.57 115.24 1rgr h LYS 138 Ca -0.03 -0.15 -0.02 0.00 -2.00 0.00 0.00 60.65 58.45 1rgr h LYS 138 Cb 0.23 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1rgr h LYS 138 CO 0.05 0.64 -0.11 1.49 -2.00 0.00 0.00 179.45 179.52 1rgr h GLU 139 N 0.37 0.00 -0.52 0.07 4.57 -0.65 -2.70 114.58 115.72 1rgr h GLU 139 Ca 0.06 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.39 1rgr h GLU 139 Cb 0.65 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1rgr h GLU 139 CO 0.05 0.11 0.57 0.00 -1.18 0.00 0.00 179.01 178.55 1rgr h ALA 140 N 1.89 2.26 -4.45 2.92 0.00 -1.31 -3.48 119.26 117.09 1rgr h ALA 140 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rgr h ALA 140 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rgr h ALA 140 CO 0.01 -0.83 -0.45 0.41 0.00 0.00 0.00 179.25 178.39 1rgr n GLY 141 N -1.53 -2.16 4.25 0.00 0.00 -1.02 -3.69 105.19 101.04 1rgr n GLY 141 Ca 0.10 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.04 0.00 -3.51 1.61 7.64 -1.26 -4.87 113.62 113.19 1rgr n SER 142 Ca 0.05 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.72 1rgr n SER 142 Cb 0.18 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.00 -0.27 -0.21 0.44 -0.00 -1.24 -1.51 121.20 118.41 1rgr s ILE 143 Ca 0.00 -0.18 -0.20 0.00 -0.00 0.00 0.00 60.65 60.26 1rgr s ILE 143 Cb 0.00 -0.69 -0.02 0.00 -0.00 0.00 0.00 42.46 41.74 1rgr s ILE 143 CO 0.00 -0.27 0.62 0.68 -0.00 0.00 0.00 174.94 175.97 1rgr s VAL 144 N 2.28 5.02 -0.78 8.37 -7.23 -0.17 -4.76 120.40 123.13 1rgr s VAL 144 Ca 0.06 1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 61.22 1rgr s VAL 144 Cb -0.16 -3.93 0.16 0.00 0.56 0.00 0.00 36.38 33.02 1rgr s VAL 144 CO -0.14 0.11 0.82 -0.13 -0.31 0.00 0.00 175.10 175.44 1rgr s ARG 145 N 1.97 3.43 -0.15 4.82 0.52 -1.26 -1.75 118.95 126.52 1rgr s ARG 145 Ca 0.28 -1.98 -0.11 0.00 -0.52 0.00 0.00 55.73 53.40 1rgr s ARG 145 Cb -0.16 -4.50 -0.05 0.00 0.52 0.00 0.00 34.95 30.76 1rgr s ARG 145 CO 0.10 -1.47 0.20 -0.51 0.02 0.00 0.00 175.30 173.64 1rgr s LEU 146 N 1.46 4.29 -0.15 2.53 1.43 0.11 -0.87 118.68 127.48 1rgr s LEU 146 Ca 0.19 0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1rgr s LEU 146 Cb -0.14 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 43.93 1rgr s LEU 146 CO -0.05 0.23 -0.02 -0.31 0.23 0.00 0.00 176.35 176.43 1rgr s TYR 147 N -0.10 1.34 -0.08 0.29 2.02 -0.30 -0.37 117.35 120.15 1rgr s TYR 147 Ca 0.13 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 56.03 1rgr s TYR 147 Cb -0.12 -1.15 0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1rgr s TYR 147 CO 0.02 -0.55 -0.15 0.14 -1.57 0.00 0.00 175.55 173.44 1rgr s VAL 148 N 1.75 1.39 -0.01 0.71 -7.23 -0.52 -1.12 120.40 115.38 1rgr s VAL 148 Ca 0.01 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 1rgr s VAL 148 Cb -0.15 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 1rgr s VAL 148 CO -0.07 0.41 0.35 0.00 -0.31 0.00 0.00 175.10 175.48 1rgr s MET 149 N 0.66 3.78 -0.24 4.82 0.23 -0.72 -0.55 119.30 127.28 1rgr s MET 149 Ca -0.14 0.25 -0.09 0.00 -1.03 0.00 0.00 55.69 54.68 1rgr s MET 149 Cb -0.16 -3.17 -0.04 0.00 -1.53 0.00 0.00 34.83 29.92 1rgr s MET 149 CO 0.04 0.69 0.13 0.50 -2.03 0.00 0.00 175.02 174.34 1rgr s ARG 150 N -1.23 3.94 -0.62 3.16 3.52 -1.09 -3.26 118.95 123.36 1rgr s ARG 150 Ca 0.24 -0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.38 1rgr s ARG 150 Cb -0.15 -3.45 0.16 0.00 -1.56 0.00 0.00 34.95 29.95 1rgr s ARG 150 CO 0.12 0.01 0.53 0.50 -0.81 0.00 0.00 175.30 175.65 1rgr s ARG 151 N 1.15 2.96 -0.18 5.12 6.06 -1.26 -4.85 118.95 127.96 1rgr s ARG 151 Ca 0.06 -2.09 -0.14 0.00 -2.50 0.00 0.00 55.73 51.06 1rgr s ARG 151 Cb -0.14 -4.14 -0.07 0.00 0.06 0.00 0.00 34.95 30.66 1rgr s ARG 151 CO 0.05 -1.25 -0.20 1.17 -2.50 0.00 0.00 175.30 172.56 1rgr n LYS 152 N 4.47 0.51 -2.22 5.12 4.81 -1.26 -4.96 118.16 124.63 1rgr n LYS 152 Ca -0.00 0.40 -0.43 0.00 -0.87 0.00 0.00 58.31 57.42 1rgr n LYS 152 Cb 0.42 -1.60 -0.02 0.00 0.02 0.00 0.00 35.03 33.85 1rgr n LYS 152 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1rgr s PRO 153 N -2.50 3.95 0.00 1.64 0.02 -1.26 -5.34 135.00 131.51 1rgr s PRO 153 Ca -0.24 1.64 0.12 0.00 0.02 0.00 0.00 61.00 62.54 1rgr s PRO 153 Cb 0.05 -3.95 0.69 0.00 0.02 0.00 0.00 34.50 31.31 1rgr s PRO 153 CO 0.37 -1.10 1.13 -2.30 -0.33 0.00 0.00 177.00 174.77