#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 0.87 -0.03 -0.32 1.13 -1.26 -1.99 117.35 115.75 1rgr s TYR 63 Ca 0.00 -0.23 0.04 0.00 -1.41 0.00 0.00 57.07 55.47 1rgr s TYR 63 Cb 0.00 -0.66 -0.03 0.00 -1.10 0.00 0.00 41.96 40.17 1rgr s TYR 63 CO 0.00 -0.13 -0.13 -1.21 -2.51 0.00 0.00 175.55 171.56 1rgr s GLU 64 N 0.45 2.46 -0.28 -3.49 0.41 -0.19 -4.91 118.70 113.15 1rgr s GLU 64 Ca -0.07 -0.74 -0.09 0.00 -0.41 0.00 0.00 54.97 53.67 1rgr s GLU 64 Cb -0.11 -2.38 -0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1rgr s GLU 64 CO 0.01 0.61 0.12 -1.21 -0.49 0.00 0.00 175.26 174.29 1rgr s GLU 65 N -0.97 3.50 -0.08 1.61 2.02 -1.26 -1.66 118.70 121.86 1rgr s GLU 65 Ca 0.13 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.56 1rgr s GLU 65 Cb -0.11 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1rgr s GLU 65 CO 0.02 -0.31 -0.19 0.42 0.02 0.00 0.00 175.26 175.23 1rgr s ILE 66 N 1.62 1.66 -0.22 -1.63 1.09 0.29 -5.02 121.20 118.99 1rgr s ILE 66 Ca 0.05 -0.80 -0.10 0.00 -1.10 0.00 0.00 60.65 58.71 1rgr s ILE 66 Cb -0.16 -1.45 -0.05 0.00 -1.06 0.00 0.00 42.46 39.74 1rgr s ILE 66 CO 0.05 0.47 0.13 -0.89 -0.10 0.00 0.00 174.94 174.60 1rgr s THR 67 N 0.37 5.19 -0.04 2.92 2.01 -1.26 -0.29 115.64 124.54 1rgr s THR 67 Ca -0.14 0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1rgr s THR 67 Cb -0.16 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1rgr s THR 67 CO 0.06 0.40 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.11 1rgr s LEU 68 N 0.75 1.43 0.08 4.42 2.96 -0.31 -4.99 118.68 123.02 1rgr s LEU 68 Ca 0.07 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 1rgr s LEU 68 Cb -0.13 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.03 1rgr s LEU 68 CO 0.02 -0.03 1.06 -1.61 -1.32 0.00 0.00 176.35 174.47 1rgr s GLU 69 N 0.77 4.56 0.24 1.98 2.02 -1.26 0.23 118.70 127.25 1rgr s GLU 69 Ca -0.11 1.59 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 1rgr s GLU 69 Cb -0.14 -3.37 -0.09 0.00 0.10 0.00 0.00 34.13 30.63 1rgr s GLU 69 CO 0.01 -0.02 1.16 0.50 0.02 0.00 0.00 175.26 176.92 1rgr s ARG 70 N 0.50 4.55 0.00 1.61 3.52 -0.40 -4.72 118.95 124.01 1rgr s ARG 70 Ca 0.52 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 1rgr s ARG 70 Cb -0.26 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1rgr s ARG 70 CO 0.30 0.05 0.39 0.41 -0.81 0.00 0.00 175.30 175.64 1rgr n GLY 71 N 1.58 -2.88 0.00 8.12 0.00 -1.17 -4.86 105.19 105.97 1rgr n GLY 71 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.65 0.00 0.05 1.61 2.85 -1.26 -4.98 115.26 112.88 1rgr n ASN 72 Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 1rgr n ASN 72 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 1rgr n ASN 72 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1rgr h SER 73 N 0.00 0.00 -4.05 1.20 0.02 -2.01 -3.47 113.55 105.24 1rgr h SER 73 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1rgr h SER 73 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1rgr h SER 73 CO 0.00 0.54 -0.17 0.61 -1.14 0.00 0.00 176.83 176.67 1rgr n GLY 74 N 1.36 3.61 0.31 -3.77 0.00 -1.26 -5.09 105.19 100.36 1rgr n GLY 74 Ca -0.08 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 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 2.02 0.00 0.99 0.00 -1.26 -3.07 117.00 115.69 1rgr n LEU 75 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 56.01 55.98 1rgr n LEU 75 Cb 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 43.42 43.31 1rgr n LEU 75 CO 0.15 0.49 0.00 0.61 0.00 0.00 0.00 177.39 178.64 1rgr n GLY 76 N 2.63 0.82 3.78 -3.96 0.00 -1.26 -0.42 105.19 106.78 1rgr n GLY 76 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.48 -0.24 -0.10 1.61 -0.12 -1.26 -1.52 117.98 114.86 1rgr s PHE 77 Ca 0.00 -0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 56.70 1rgr s PHE 77 Cb 0.00 0.68 0.03 0.00 -0.63 0.00 0.00 43.02 43.10 1rgr s PHE 77 CO 0.00 -1.16 -0.04 -1.12 -0.05 0.00 0.00 175.22 172.84 1rgr s SER 78 N -2.89 1.99 -0.16 1.98 0.01 0.33 -4.79 113.70 110.17 1rgr s SER 78 Ca 0.09 -0.24 -0.15 0.00 1.31 0.00 0.00 55.95 56.97 1rgr s SER 78 Cb -0.05 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1rgr s SER 78 CO 0.04 -0.15 0.33 0.27 0.41 0.00 0.00 173.24 174.13 1rgr s ILE 79 N 1.81 5.28 0.33 1.44 -4.36 -1.26 -1.27 121.20 123.16 1rgr s ILE 79 Ca 0.05 0.61 -0.02 0.00 -0.26 0.00 0.00 60.65 61.02 1rgr s ILE 79 Cb -0.13 -3.66 0.07 0.00 1.25 0.00 0.00 42.46 39.99 1rgr s ILE 79 CO -0.07 0.36 0.44 0.00 0.24 0.00 0.00 174.94 175.91 1rgr n ALA 80 N 3.74 -0.14 -2.71 2.27 0.00 0.64 -4.91 120.51 119.40 1rgr n ALA 80 Ca -0.11 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.34 1rgr n ALA 80 Cb 0.52 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.70 1.32 0.00 0.00 0.00 -1.26 -3.58 107.32 100.11 1rgr s GLY 81 Ca 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1rgr s GLY 81 CO 0.19 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.97 1rgr n GLY 82 N -1.72 2.95 0.36 0.20 0.00 0.19 -3.49 105.19 103.67 1rgr n GLY 82 Ca -0.05 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 43.98 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 0.04 0.91 -0.03 2.61 1.35 -1.20 -2.40 112.91 114.19 1rgr h THR 83 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1rgr h THR 83 Cb 0.00 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.27 1rgr h THR 83 CO 0.00 0.18 0.00 0.47 -0.25 0.00 0.00 175.52 175.92 1rgr n ASP 84 N -4.63 1.30 -3.04 5.36 9.92 -1.26 -4.65 116.55 119.54 1rgr n ASP 84 Ca 0.19 -1.45 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 1rgr n ASP 84 Cb 0.36 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.83 1rgr n ASP 84 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1rgr s ASN 85 N -1.95 -1.27 -0.02 -2.24 2.47 -0.95 -5.07 114.94 105.92 1rgr s ASN 85 Ca 0.39 -0.83 -0.08 0.00 0.42 0.00 0.00 52.86 52.76 1rgr s ASN 85 Cb 0.21 1.64 -0.05 0.00 -1.45 0.00 0.00 41.25 41.59 1rgr s ASN 85 CO 0.33 -0.12 0.26 -2.16 -3.72 0.00 0.00 177.10 171.69 1rgr s PRO 86 N 1.66 3.59 -0.02 0.43 0.04 -0.95 -0.63 135.00 139.12 1rgr s PRO 86 Ca 0.18 -0.03 0.16 0.00 0.04 0.00 0.00 61.00 61.35 1rgr s PRO 86 Cb -0.01 -3.12 -0.24 0.00 0.04 0.00 0.00 34.50 31.17 1rgr s PRO 86 CO -0.08 0.68 0.36 1.58 0.04 0.00 0.00 177.00 179.58 1rgr n HIS 87 N 1.36 0.00 -3.59 0.56 -0.00 -1.26 -4.90 115.22 107.39 1rgr n HIS 87 Ca -0.13 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.71 1rgr n HIS 87 Cb 0.53 -0.34 -0.05 0.00 -0.12 0.00 0.00 29.99 30.01 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 -3.05 5.11 -1.76 3.57 1.09 -1.26 -4.99 121.20 119.90 1rgr s ILE 88 Ca -0.05 0.34 0.07 0.00 -1.10 0.00 0.00 60.65 59.91 1rgr s ILE 88 Cb 0.10 -3.64 0.16 0.00 -1.06 0.00 0.00 42.46 38.03 1rgr s ILE 88 CO 0.65 0.20 0.95 0.61 -0.10 0.00 0.00 174.94 177.25 1rgr n GLY 89 N 0.62 -0.33 0.01 6.18 0.00 -1.26 -1.66 105.19 108.75 1rgr n GLY 89 Ca -0.06 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.12 0.60 0.00 1.61 2.03 -1.26 -5.07 116.55 113.33 1rgr n ASP 90 Ca 0.04 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1rgr n ASP 90 Cb 0.04 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 -1.62 0.00 -4.14 1.67 2.03 -0.66 -5.00 116.55 108.83 1rgr n ASP 91 Ca 0.05 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.00 1rgr n ASP 91 Cb 0.36 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.63 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1rgr s PRO 92 N 0.00 2.12 -0.27 -0.67 0.04 -1.26 -4.11 135.00 130.85 1rgr s PRO 92 Ca 0.00 -1.64 -0.02 0.00 0.04 0.00 0.00 61.00 59.38 1rgr s PRO 92 Cb 0.00 -3.45 0.16 0.00 0.04 0.00 0.00 34.50 31.25 1rgr s PRO 92 CO 0.00 -0.92 0.47 -1.12 0.04 0.00 0.00 177.00 175.47 1rgr s SER 93 N 1.59 -0.44 -0.18 6.66 0.01 -1.23 -4.08 113.70 116.04 1rgr s SER 93 Ca 0.04 0.47 -0.29 0.00 1.31 0.00 0.00 55.95 57.48 1rgr s SER 93 Cb -0.22 1.55 -0.02 0.00 0.21 0.00 0.00 66.02 67.55 1rgr s SER 93 CO -0.03 -0.29 1.33 -0.63 0.41 0.00 0.00 173.24 174.04 1rgr s ILE 94 N 2.68 4.14 -0.06 1.44 -1.09 -0.43 -4.36 121.20 123.52 1rgr s ILE 94 Ca 0.16 1.36 -0.04 0.00 -2.23 0.00 0.00 60.65 59.91 1rgr s ILE 94 Cb -0.15 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1rgr s ILE 94 CO -0.18 -0.19 0.14 0.72 -1.23 0.00 0.00 174.94 174.19 1rgr s PHE 95 N 3.81 -0.16 -0.20 3.97 -0.12 -1.23 -2.20 117.98 121.85 1rgr s PHE 95 Ca 0.58 0.44 -0.26 0.00 -0.05 0.00 0.00 56.93 57.64 1rgr s PHE 95 Cb -0.22 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.13 1rgr s PHE 95 CO 0.19 -0.13 0.89 0.42 -0.05 0.00 0.00 175.22 176.53 1rgr s ILE 96 N 0.73 4.81 -0.13 -4.49 1.01 -1.25 -0.26 121.20 121.63 1rgr s ILE 96 Ca -0.05 1.73 0.19 0.00 0.00 0.00 0.00 60.65 62.51 1rgr s ILE 96 Cb -0.07 -4.18 -0.24 0.00 0.01 0.00 0.00 42.46 37.98 1rgr s ILE 96 CO -0.04 -0.05 0.41 0.41 0.00 0.00 0.00 174.94 175.67 1rgr n THR 97 N 5.02 0.98 -4.22 2.92 -1.04 -0.40 -3.14 114.28 114.40 1rgr n THR 97 Ca 0.07 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.05 61.22 1rgr n THR 97 Cb 0.48 -0.44 -0.10 0.00 -1.82 0.00 0.00 70.33 68.45 1rgr n THR 97 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1rgr s LYS 98 N -2.89 0.97 -0.18 -2.82 1.02 -1.09 -4.89 119.74 109.85 1rgr s LYS 98 Ca -0.07 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.59 1rgr s LYS 98 Cb 0.09 -0.56 0.03 0.00 -0.52 0.00 0.00 37.83 36.87 1rgr s LYS 98 CO 0.85 0.07 -0.16 0.96 -0.92 0.00 0.00 175.35 176.15 1rgr s ILE 99 N -3.05 1.87 0.11 2.17 -4.36 -1.26 -0.51 121.20 116.17 1rgr s ILE 99 Ca 0.12 -0.95 -0.31 0.00 -0.26 0.00 0.00 60.65 59.26 1rgr s ILE 99 Cb 0.01 -1.78 -0.07 0.00 1.25 0.00 0.00 42.46 41.87 1rgr s ILE 99 CO -0.00 0.39 1.25 -0.63 0.24 0.00 0.00 174.94 176.19 1rgr s ILE 100 N 1.34 3.70 0.27 8.37 1.09 -0.58 -4.92 121.20 130.48 1rgr s ILE 100 Ca 0.02 1.27 -0.30 0.00 -1.10 0.00 0.00 60.65 60.55 1rgr s ILE 100 Cb -0.14 -3.81 -0.11 0.00 -1.06 0.00 0.00 42.46 37.33 1rgr s ILE 100 CO -0.11 0.13 1.55 -2.16 -0.10 0.00 0.00 174.94 174.25 1rgr s PRO 101 N 0.69 4.17 -0.08 2.79 0.04 -1.26 -1.38 135.00 139.97 1rgr s PRO 101 Ca 0.59 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1rgr s PRO 101 Cb -0.32 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1rgr s PRO 101 CO 0.32 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1rgr n GLY 102 N 2.30 0.48 3.96 0.56 0.00 -1.26 -5.07 105.19 106.16 1rgr n GLY 102 Ca 0.08 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.26 1.67 0.15 -0.02 0.00 -0.48 -4.93 107.32 101.45 1rgr s GLY 103 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.42 1rgr s GLY 103 CO 0.00 -0.99 1.48 0.00 0.00 0.00 0.00 173.10 173.59 1rgr h ALA 104 N 0.33 0.58 0.00 3.20 0.00 -0.91 0.19 119.26 122.65 1rgr h ALA 104 Ca -0.45 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 1rgr h ALA 104 Cb 1.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1rgr h ALA 104 CO 0.55 0.68 -0.28 0.00 0.00 0.00 0.00 179.25 180.20 1rgr h ALA 105 N 0.79 1.17 0.10 0.00 0.00 -1.79 0.11 119.26 119.64 1rgr h ALA 105 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1rgr h ALA 105 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1rgr h ALA 105 CO 0.10 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.65 1rgr h ALA 106 N 1.72 -0.13 0.80 0.00 0.00 -1.82 -2.69 119.26 117.13 1rgr h ALA 106 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1rgr h ALA 106 Cb 0.66 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1rgr h ALA 106 CO 0.04 -0.27 -0.45 0.37 0.00 0.00 0.00 179.25 178.93 1rgr h GLN 107 N -0.73 -1.12 -0.09 0.00 -0.00 -0.89 -3.28 115.11 109.00 1rgr h GLN 107 Ca -0.01 0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 1rgr h GLN 107 Cb 0.56 0.25 -0.00 0.00 0.00 0.00 0.00 27.48 28.29 1rgr h GLN 107 CO 0.02 -0.74 -0.03 0.22 0.00 0.00 0.00 178.83 178.29 1rgr h ASP 108 N -1.16 0.18 -4.31 -0.69 1.82 -1.01 -3.49 116.42 107.76 1rgr h ASP 108 Ca -0.11 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1rgr h ASP 108 Cb 0.91 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1rgr h ASP 108 CO 0.13 0.54 -0.29 0.61 -1.61 0.00 0.00 179.24 178.62 1rgr n GLY 109 N -0.03 -1.09 0.00 -0.78 0.00 -1.02 -5.03 105.19 97.25 1rgr n GLY 109 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.37 3.58 -0.70 1.61 5.12 -1.26 -5.08 116.66 119.56 1rgr n ARG 110 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1rgr n ARG 110 Cb 0.26 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1rgr n LEU 111 N -1.95 0.00 0.00 0.55 -0.00 -1.26 -5.13 117.00 109.21 1rgr n LEU 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1rgr n LEU 111 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1rgr n LEU 111 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 177.93 1rgr n ARG 112 N 0.00 3.03 0.00 1.47 1.74 -1.26 -4.95 116.66 116.69 1rgr n ARG 112 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1rgr n ARG 112 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1rgr n ARG 112 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1rgr n VAL 113 N 0.00 0.00 -0.37 1.55 0.24 -1.26 -4.85 118.33 113.64 1rgr n VAL 113 Ca 0.00 1.02 0.00 0.00 -2.04 0.00 0.00 64.34 63.32 1rgr n VAL 113 Cb 0.00 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 30.92 1rgr n VAL 113 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1rgr n ASN 114 N -1.61 0.00 0.00 -1.34 2.85 -1.19 -4.86 115.26 109.10 1rgr n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1rgr n ASN 114 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1rgr n ASN 114 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1rgr n ASP 115 N 0.00 0.00 -3.26 1.20 -0.08 -1.19 -4.46 116.55 108.77 1rgr n ASP 115 Ca 0.00 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.23 1rgr n ASP 115 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1rgr n ASP 115 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1rgr s SER 116 N -4.00 -0.44 0.09 1.67 0.01 -1.26 -3.82 113.70 105.95 1rgr s SER 116 Ca 0.00 -0.77 -0.31 0.00 1.31 0.00 0.00 55.95 56.18 1rgr s SER 116 Cb 0.00 1.43 -0.08 0.00 0.21 0.00 0.00 66.02 67.58 1rgr s SER 116 CO 0.00 -0.25 1.57 -0.51 0.41 0.00 0.00 173.24 174.46 1rgr s ILE 117 N 2.02 3.02 -0.24 1.44 1.10 -0.93 -2.76 121.20 124.84 1rgr s ILE 117 Ca 0.14 0.59 -0.16 0.00 -0.51 0.00 0.00 60.65 60.71 1rgr s ILE 117 Cb -0.10 -3.38 -0.13 0.00 0.15 0.00 0.00 42.46 39.00 1rgr s ILE 117 CO -0.14 0.02 -0.17 0.00 -2.11 0.00 0.00 174.94 172.54 1rgr n LEU 118 N 4.92 1.92 -3.95 8.50 -0.00 0.27 -4.13 117.00 124.53 1rgr n LEU 118 Ca 0.14 0.38 -0.16 0.00 -0.00 0.00 0.00 56.01 56.37 1rgr n LEU 118 Cb 0.40 -0.86 -0.15 0.00 -0.00 0.00 0.00 43.42 42.82 1rgr n LEU 118 CO 0.61 0.36 -0.40 -0.36 -0.00 0.00 0.00 177.39 177.60 1rgr s PHE 119 N -2.48 0.48 -0.13 1.47 0.40 -1.20 -2.39 117.98 114.13 1rgr s PHE 119 Ca -0.34 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1rgr s PHE 119 Cb 0.11 -0.34 0.02 0.00 0.51 0.00 0.00 43.02 43.32 1rgr s PHE 119 CO 0.50 -0.03 -0.13 0.54 0.70 0.00 0.00 175.22 176.80 1rgr s VAL 120 N 0.03 1.46 0.00 -0.44 0.11 -1.19 -1.37 120.40 118.99 1rgr s VAL 120 Ca 0.00 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1rgr s VAL 120 Cb -0.04 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1rgr s VAL 120 CO -0.00 0.44 0.00 0.59 -3.33 0.00 0.00 175.10 172.80 1rgr n ASN 121 N 4.70 0.00 0.00 3.54 3.02 0.07 -2.17 115.26 124.41 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 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.03 3.52 2.13 -1.26 -4.92 120.64 118.08 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 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 2.64 -1.26 6.31 1.01 -0.92 -4.95 120.40 123.23 1rgr s VAL 123 Ca 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 1rgr s VAL 123 Cb 0.00 -3.36 0.12 0.00 0.00 0.00 0.00 36.38 33.14 1rgr s VAL 123 CO 0.00 0.11 1.60 -0.90 0.00 0.00 0.00 175.10 175.90 1rgr n ASP 124 N 1.81 5.07 0.00 3.32 5.75 -1.26 -3.18 116.55 128.06 1rgr n ASP 124 Ca 0.05 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.87 1rgr n ASP 124 Cb 0.41 -1.65 0.00 0.00 -1.03 0.00 0.00 41.12 38.85 1rgr n ASP 124 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1rgr n VAL 125 N 5.37 0.00 0.00 2.12 0.24 -1.22 -4.84 118.33 120.01 1rgr n VAL 125 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.73 1rgr n VAL 125 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.33 7.34 1.85 -1.00 -3.03 116.66 119.48 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 -1.91 -0.01 0.00 0.00 177.63 175.71 1rgr n GLU 127 N 0.00 3.37 -4.20 2.89 2.13 -1.26 -1.32 120.64 122.25 1rgr n GLU 127 Ca 0.00 -3.36 -0.12 0.00 0.66 0.00 0.00 57.16 54.34 1rgr n GLU 127 Cb 0.00 -3.08 -0.10 0.00 0.27 0.00 0.00 31.44 28.53 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 1.56 0.01 0.31 6.31 0.11 -1.17 -4.91 120.40 122.63 1rgr s VAL 128 Ca 0.43 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 57.19 1rgr s VAL 128 Cb 0.08 -2.50 -0.12 0.00 -1.53 0.00 0.00 36.38 32.31 1rgr s VAL 128 CO -0.01 0.00 1.50 0.41 -3.33 0.00 0.00 175.10 173.67 1rgr n THR 129 N -0.28 1.33 -0.35 5.04 -1.04 -1.26 -0.68 114.28 117.04 1rgr n THR 129 Ca 0.02 -0.33 0.25 0.00 -2.04 0.00 0.00 64.05 61.94 1rgr n THR 129 Cb 0.66 -1.83 0.51 0.00 -1.82 0.00 0.00 70.33 67.84 1rgr n THR 129 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1rgr h HIS 130 N 4.03 0.75 0.01 -1.42 2.07 -1.89 -2.53 115.15 116.17 1rgr h HIS 130 Ca -0.47 0.03 0.02 0.00 -2.85 0.00 0.00 60.37 57.10 1rgr h HIS 130 Cb 1.24 -0.21 -0.03 0.00 2.57 0.00 0.00 27.41 30.99 1rgr h HIS 130 CO 0.56 -0.03 -0.15 0.66 -3.07 0.00 0.00 177.93 175.89 1rgr h SER 131 N 0.36 -0.45 -0.62 3.10 4.64 -1.99 0.60 113.55 119.19 1rgr h SER 131 Ca 0.67 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 62.06 1rgr h SER 131 Cb 1.69 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.93 1rgr h SER 131 CO -0.41 -0.22 0.38 0.00 -0.87 0.00 0.00 176.83 175.72 1rgr h ALA 132 N 0.66 1.49 0.11 5.18 0.00 -1.85 -1.42 119.26 123.44 1rgr h ALA 132 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rgr h ALA 132 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rgr h ALA 132 CO -0.14 0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.50 1rgr h ALA 133 N 1.56 -0.15 -0.72 0.00 0.00 -1.47 -1.01 119.26 117.46 1rgr h ALA 133 Ca 0.23 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1rgr h ALA 133 Cb -0.04 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1rgr h ALA 133 CO -0.04 -0.31 0.33 -0.24 0.00 0.00 0.00 179.25 178.99 1rgr h VAL 134 N -0.71 0.77 -0.09 0.00 3.04 -0.91 0.12 116.25 118.47 1rgr h VAL 134 Ca -0.02 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 1rgr h VAL 134 Cb 0.53 0.19 -0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1rgr h VAL 134 CO 0.03 0.10 0.03 -0.33 -1.01 0.00 0.00 177.57 176.38 1rgr h GLU 135 N 0.54 0.15 0.00 4.17 4.39 -1.36 -2.16 114.58 120.30 1rgr h GLU 135 Ca 0.37 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 1rgr h GLU 135 Cb 0.47 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1rgr h GLU 135 CO -0.32 0.29 -0.12 0.00 -1.16 0.00 0.00 179.01 177.70 1rgr h ALA 136 N 0.84 1.67 0.40 3.43 0.00 -0.85 0.30 119.26 125.05 1rgr h ALA 136 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rgr h ALA 136 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rgr h ALA 136 CO -0.00 0.15 -0.19 -0.07 0.00 0.00 0.00 179.25 179.14 1rgr h LEU 137 N 0.00 -0.45 -0.57 0.00 -0.00 -0.69 -1.40 115.31 112.20 1rgr h LEU 137 Ca -0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 1rgr h LEU 137 Cb 0.23 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1rgr h LEU 137 CO 0.02 -0.31 -0.20 0.07 -0.00 0.00 0.00 178.44 178.01 1rgr h LYS 138 N -0.55 0.94 0.00 1.13 2.10 -1.26 -3.18 116.57 115.75 1rgr h LYS 138 Ca -0.05 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1rgr h LYS 138 Cb 0.42 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1rgr h LYS 138 CO 0.09 1.05 0.00 0.39 -2.00 0.00 0.00 179.45 178.98 1rgr n GLU 139 N -4.11 0.70 0.00 0.07 -0.58 0.10 -3.23 120.64 113.59 1rgr n GLU 139 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1rgr n GLU 139 Cb 0.44 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1rgr n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rgr n ALA 140 N -0.98 1.03 0.00 0.62 0.00 -0.53 -4.99 120.51 115.66 1rgr n ALA 140 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1rgr n ALA 140 Cb 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1rgr n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgr n GLY 141 N -1.28 0.50 0.00 0.00 0.00 -1.20 -3.28 105.19 99.92 1rgr n GLY 141 Ca 0.00 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 3.54 0.00 -3.49 1.61 7.64 -1.26 -4.57 113.62 117.09 1rgr n SER 142 Ca 0.00 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1rgr n SER 142 Cb 0.00 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.66 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 -2.86 -0.45 -0.35 0.44 -0.00 -1.21 -1.27 121.20 115.51 1rgr s ILE 143 Ca 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.71 1rgr s ILE 143 Cb 0.19 -0.67 -0.00 0.00 -0.00 0.00 0.00 42.46 41.98 1rgr s ILE 143 CO 0.49 -0.09 0.22 -0.69 -0.00 0.00 0.00 174.94 174.87 1rgr s VAL 144 N 2.43 5.04 -0.82 8.37 1.01 0.14 -4.83 120.40 131.73 1rgr s VAL 144 Ca 0.07 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1rgr s VAL 144 Cb -0.15 -3.64 0.17 0.00 0.00 0.00 0.00 36.38 32.77 1rgr s VAL 144 CO -0.12 -0.06 0.86 -0.13 0.00 0.00 0.00 175.10 175.65 1rgr s ARG 145 N 1.67 3.50 -0.00 2.72 0.52 -1.26 -1.16 118.95 124.94 1rgr s ARG 145 Ca 0.05 -2.06 -0.18 0.00 -0.52 0.00 0.00 55.73 53.02 1rgr s ARG 145 Cb -0.18 -4.55 -0.06 0.00 0.52 0.00 0.00 34.95 30.68 1rgr s ARG 145 CO 0.09 -1.47 0.51 -0.51 0.02 0.00 0.00 175.30 173.93 1rgr s LEU 146 N 1.33 4.44 -0.11 2.53 1.43 0.60 -0.75 118.68 128.14 1rgr s LEU 146 Ca 0.21 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1rgr s LEU 146 Cb -0.11 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.36 1rgr s LEU 146 CO -0.07 0.20 -0.09 -0.31 0.23 0.00 0.00 176.35 176.31 1rgr s TYR 147 N -0.56 1.60 -0.10 0.29 2.02 -0.47 -0.55 117.35 119.59 1rgr s TYR 147 Ca 0.27 -0.80 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1rgr s TYR 147 Cb -0.18 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1rgr s TYR 147 CO 0.15 -0.51 -0.08 0.54 -1.57 0.00 0.00 175.55 174.08 1rgr s VAL 148 N 1.51 1.03 -0.06 0.71 0.11 -0.66 -0.57 120.40 122.48 1rgr s VAL 148 Ca 0.02 -0.32 -0.05 0.00 -2.93 0.00 0.00 61.98 58.70 1rgr s VAL 148 Cb -0.13 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1rgr s VAL 148 CO -0.07 0.36 0.17 -0.32 -3.33 0.00 0.00 175.10 171.92 1rgr s MET 149 N 1.46 3.46 0.18 1.54 1.75 -1.11 -1.02 119.30 125.56 1rgr s MET 149 Ca 0.00 -0.20 -0.26 0.00 -1.25 0.00 0.00 55.69 53.98 1rgr s MET 149 Cb -0.13 -3.14 -0.08 0.00 2.84 0.00 0.00 34.83 34.32 1rgr s MET 149 CO -0.05 0.72 0.81 -0.98 -0.65 0.00 0.00 175.02 174.86 1rgr s ARG 150 N -1.50 4.62 0.60 4.11 1.70 -0.84 -4.34 118.95 123.30 1rgr s ARG 150 Ca 0.22 1.22 -0.19 0.00 -0.47 0.00 0.00 55.73 56.50 1rgr s ARG 150 Cb -0.12 -3.27 -0.03 0.00 -0.57 0.00 0.00 34.95 30.96 1rgr s ARG 150 CO 0.12 0.56 1.26 -2.13 -1.08 0.00 0.00 175.30 174.03 1rgr n ARG 151 N 1.59 1.29 0.14 3.89 0.63 -1.26 -4.67 116.66 118.26 1rgr n ARG 151 Ca -0.05 0.49 -0.15 0.00 -0.92 0.00 0.00 57.85 57.22 1rgr n ARG 151 Cb 0.48 -2.49 -0.09 0.00 0.45 0.00 0.00 32.46 30.82 1rgr n ARG 151 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1rgr h LYS 152 N 0.85 -0.71 -6.85 -0.14 6.56 -2.01 -3.41 116.57 110.86 1rgr h LYS 152 Ca -0.50 0.05 -0.52 0.00 -1.06 0.00 0.00 60.65 58.61 1rgr h LYS 152 Cb 1.33 0.16 0.06 0.00 -0.57 0.00 0.00 32.23 33.21 1rgr h LYS 152 CO 0.54 -0.47 0.64 -1.25 -2.06 0.00 0.00 179.45 176.85 1rgr s PRO 153 N -5.51 4.36 0.00 3.15 0.04 -1.26 -5.18 135.00 130.61 1rgr s PRO 153 Ca -0.15 2.19 0.17 0.00 0.04 0.00 0.00 61.00 63.25 1rgr s PRO 153 Cb 0.05 -3.09 1.03 0.00 0.04 0.00 0.00 34.50 32.53 1rgr s PRO 153 CO 0.55 -0.19 1.44 -2.30 0.04 0.00 0.00 177.00 176.53