#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgr s TYR 63 N 0.00 3.14 -0.12 -0.32 1.13 -1.26 -3.30 117.35 116.62 1rgr s TYR 63 Ca 0.00 0.12 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 1rgr s TYR 63 Cb 0.00 -1.83 -0.01 0.00 -1.10 0.00 0.00 41.96 39.02 1rgr s TYR 63 CO 0.00 0.38 -0.16 -1.83 -2.51 0.00 0.00 175.55 171.44 1rgr s GLU 64 N -0.65 3.30 -0.13 -3.49 -1.05 -0.43 -4.92 118.70 111.33 1rgr s GLU 64 Ca 0.10 -0.73 -0.21 0.00 -0.15 0.00 0.00 54.97 53.97 1rgr s GLU 64 Cb -0.12 -2.55 -0.03 0.00 -0.44 0.00 0.00 34.13 30.99 1rgr s GLU 64 CO 0.02 0.20 0.64 -1.83 0.95 0.00 0.00 175.26 175.24 1rgr s GLU 65 N 0.36 4.33 -0.07 -4.83 -1.05 -1.26 -1.90 118.70 114.28 1rgr s GLU 65 Ca -0.13 0.70 0.01 0.00 -0.15 0.00 0.00 54.97 55.41 1rgr s GLU 65 Cb -0.16 -3.50 0.02 0.00 -0.44 0.00 0.00 34.13 30.04 1rgr s GLU 65 CO 0.06 -0.05 -0.08 0.42 0.95 0.00 0.00 175.26 176.55 1rgr s ILE 66 N 1.26 0.91 -0.04 1.83 -1.09 0.23 -5.00 121.20 119.30 1rgr s ILE 66 Ca 0.32 -0.31 -0.21 0.00 -2.23 0.00 0.00 60.65 58.23 1rgr s ILE 66 Cb -0.16 -0.89 -0.05 0.00 -1.58 0.00 0.00 42.46 39.78 1rgr s ILE 66 CO 0.13 0.32 0.60 -0.89 -1.23 0.00 0.00 174.94 173.87 1rgr s THR 67 N 1.08 5.00 0.04 2.92 2.01 -1.26 -0.37 115.64 125.05 1rgr s THR 67 Ca -0.07 1.24 0.02 0.00 0.31 0.00 0.00 61.69 63.18 1rgr s THR 67 Cb -0.14 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1rgr s THR 67 CO -0.01 0.36 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.98 1rgr s LEU 68 N 0.21 2.26 0.25 4.42 2.96 0.15 -4.94 118.68 123.98 1rgr s LEU 68 Ca 0.32 -0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 53.37 1rgr s LEU 68 Cb -0.17 -0.16 -0.09 0.00 0.50 0.00 0.00 46.19 46.26 1rgr s LEU 68 CO 0.16 -0.21 0.94 -1.61 -1.32 0.00 0.00 176.35 174.31 1rgr s GLU 69 N -1.62 4.83 -0.35 1.98 2.02 -1.26 -0.04 118.70 124.25 1rgr s GLU 69 Ca -0.10 1.47 -0.19 0.00 0.02 0.00 0.00 54.97 56.17 1rgr s GLU 69 Cb -0.10 -3.23 -0.00 0.00 0.10 0.00 0.00 34.13 30.90 1rgr s GLU 69 CO 0.00 0.50 0.56 0.50 0.02 0.00 0.00 175.26 176.85 1rgr s ARG 70 N -1.26 3.64 -0.11 1.61 3.00 -0.64 -4.68 118.95 120.50 1rgr s ARG 70 Ca 0.42 -0.08 -0.29 0.00 -1.00 0.00 0.00 55.73 54.77 1rgr s ARG 70 Cb -0.25 -3.81 -0.06 0.00 0.00 0.00 0.00 34.95 30.83 1rgr s ARG 70 CO 0.31 -0.69 1.89 0.20 0.00 0.00 0.00 175.30 177.02 1rgr s GLY 71 N 1.78 1.16 0.20 8.12 0.00 -1.26 -4.10 107.32 113.21 1rgr s GLY 71 Ca 0.21 0.89 -0.10 0.00 0.00 0.00 0.00 44.72 45.72 1rgr s GLY 71 CO 0.14 3.37 1.82 3.43 0.00 0.00 0.00 173.10 181.86 1rgr h ASN 72 N 11.64 0.89 1.41 1.64 2.35 -1.96 -2.30 115.58 129.25 1rgr h ASN 72 Ca -0.42 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1rgr h ASN 72 Cb 1.21 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1rgr h ASN 72 CO 0.97 0.73 -0.30 0.28 -1.65 0.00 0.00 177.43 177.45 1rgr h SER 73 N 0.98 0.00 -1.25 5.81 0.02 -2.02 -3.48 113.55 113.61 1rgr h SER 73 Ca 0.25 -0.05 0.23 0.00 -0.84 0.00 0.00 61.79 61.38 1rgr h SER 73 Cb 0.03 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.26 1rgr h SER 73 CO -0.04 0.03 0.69 -0.83 -1.14 0.00 0.00 176.83 175.53 1rgr s GLY 74 N -3.90 0.53 0.00 -3.77 0.00 -0.87 -5.10 107.32 94.21 1rgr s GLY 74 Ca 0.07 3.82 0.00 0.00 0.00 0.00 0.00 44.72 48.61 1rgr s GLY 74 CO 0.68 3.03 0.51 1.04 0.00 0.00 0.00 173.10 178.35 1rgr n LEU 75 N 3.64 0.48 0.00 0.66 4.32 -1.18 -4.11 117.00 120.81 1rgr n LEU 75 Ca -0.13 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1rgr n LEU 75 Cb 0.56 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1rgr n LEU 75 CO 0.02 -0.26 0.00 0.61 -1.22 0.00 0.00 177.39 176.54 1rgr n GLY 76 N 0.25 0.98 3.52 -0.72 0.00 -1.26 -0.48 105.19 107.48 1rgr n GLY 76 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1rgr n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rgr s PHE 77 N -0.97 -0.71 -0.32 1.61 -0.71 -1.26 -1.90 117.98 113.73 1rgr s PHE 77 Ca 0.00 1.68 -0.08 0.00 -1.04 0.00 0.00 56.93 57.49 1rgr s PHE 77 Cb 0.00 0.26 0.01 0.00 -1.21 0.00 0.00 43.02 42.08 1rgr s PHE 77 CO 0.00 -0.34 0.12 -1.12 -1.34 0.00 0.00 175.22 172.54 1rgr s SER 78 N 0.46 5.37 -0.21 1.98 0.01 0.45 -4.85 113.70 116.91 1rgr s SER 78 Ca -0.01 -0.75 -0.18 0.00 1.31 0.00 0.00 55.95 56.32 1rgr s SER 78 Cb -0.05 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 1rgr s SER 78 CO -0.01 -0.24 0.49 0.27 0.41 0.00 0.00 173.24 174.16 1rgr s ILE 79 N 1.53 5.12 0.08 1.44 -4.36 -1.26 -2.45 121.20 121.30 1rgr s ILE 79 Ca 0.03 0.89 -0.01 0.00 -0.26 0.00 0.00 60.65 61.29 1rgr s ILE 79 Cb -0.18 -3.81 0.02 0.00 1.25 0.00 0.00 42.46 39.74 1rgr s ILE 79 CO 0.04 0.17 0.11 0.00 0.24 0.00 0.00 174.94 175.51 1rgr n ALA 80 N 4.87 -0.09 -2.63 2.27 0.00 0.65 -4.94 120.51 120.64 1rgr n ALA 80 Ca -0.05 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 1rgr n ALA 80 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.09 1.36 0.00 0.00 0.00 -1.26 -3.64 107.32 100.70 1rgr s GLY 81 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1rgr s GLY 81 CO 0.04 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.86 1rgr n GLY 82 N -1.79 4.52 0.32 0.20 0.00 0.13 -4.11 105.19 104.45 1rgr n GLY 82 Ca -0.04 -2.05 0.05 0.00 0.00 0.00 0.00 46.02 43.97 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 0.07 0.86 0.00 2.61 1.35 -1.33 -2.48 112.91 114.00 1rgr h THR 83 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1rgr h THR 83 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1rgr h THR 83 CO 0.00 0.14 -0.14 -0.78 -0.25 0.00 0.00 175.52 174.50 1rgr h ASP 84 N 0.79 0.00 -2.36 5.36 3.58 -1.95 -3.42 116.42 118.42 1rgr h ASP 84 Ca 0.44 -0.01 -0.56 0.00 0.42 0.00 0.00 57.03 57.33 1rgr h ASP 84 Cb 0.47 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 41.15 1rgr h ASP 84 CO -0.28 0.00 -0.90 0.21 -2.88 0.00 0.00 179.24 175.39 1rgr s ASN 85 N -5.87 1.80 -0.25 2.28 3.84 -0.96 -5.07 114.94 110.71 1rgr s ASN 85 Ca 0.06 -2.62 -0.11 0.00 0.21 0.00 0.00 52.86 50.40 1rgr s ASN 85 Cb 0.07 -0.27 -0.05 0.00 -0.55 0.00 0.00 41.25 40.45 1rgr s ASN 85 CO 0.68 -0.22 0.20 -2.16 -2.79 0.00 0.00 177.10 172.81 1rgr s PRO 86 N 0.52 4.04 0.25 0.43 0.04 -1.02 -0.69 135.00 138.57 1rgr s PRO 86 Ca 0.27 -0.23 0.11 0.00 0.04 0.00 0.00 61.00 61.19 1rgr s PRO 86 Cb -0.07 -3.59 0.23 0.00 0.04 0.00 0.00 34.50 31.12 1rgr s PRO 86 CO -0.11 -0.05 1.53 1.25 0.04 0.00 0.00 177.00 179.66 1rgr h HIS 87 N 7.82 0.00 -1.29 0.56 2.76 -1.86 -3.48 115.15 119.67 1rgr h HIS 87 Ca -0.36 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.27 1rgr h HIS 87 Cb 1.18 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.08 1rgr h HIS 87 CO 0.71 0.68 -0.39 0.96 -1.30 0.00 0.00 177.93 178.58 1rgr s ILE 88 N -3.32 2.28 0.00 6.26 -5.25 -1.26 -5.09 121.20 114.82 1rgr s ILE 88 Ca -0.00 -1.49 0.00 0.00 -0.99 0.00 0.00 60.65 58.17 1rgr s ILE 88 Cb 0.11 -2.77 0.00 0.00 2.95 0.00 0.00 42.46 42.75 1rgr s ILE 88 CO 0.77 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 174.53 1rgr n GLY 89 N -1.51 -1.68 2.02 6.27 0.00 -1.26 -4.75 105.19 104.28 1rgr n GLY 89 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1rgr n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rgr n ASP 90 N 0.00 4.88 -3.73 1.61 8.00 -1.26 -4.64 116.55 121.41 1rgr n ASP 90 Ca 0.00 -3.20 -0.30 0.00 0.71 0.00 0.00 54.79 52.00 1rgr n ASP 90 Cb 0.00 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.26 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rgr n ASP 91 N -0.11 3.74 -4.57 -2.24 2.03 -1.26 -5.06 116.55 109.07 1rgr n ASP 91 Ca 0.41 -3.32 -0.40 0.00 0.52 0.00 0.00 54.79 52.00 1rgr n ASP 91 Cb 1.39 -0.79 -0.03 0.00 -0.72 0.00 0.00 41.12 40.97 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1rgr s PRO 92 N -2.00 2.70 -0.29 -0.67 0.02 -1.26 -4.90 135.00 128.60 1rgr s PRO 92 Ca 0.32 1.37 -0.13 0.00 0.02 0.00 0.00 61.00 62.58 1rgr s PRO 92 Cb 0.04 -4.41 0.11 0.00 0.02 0.00 0.00 34.50 30.26 1rgr s PRO 92 CO -0.08 -2.60 0.69 -1.12 -0.33 0.00 0.00 177.00 173.55 1rgr s SER 93 N 9.15 -1.03 0.15 2.53 0.01 -1.25 -3.33 113.70 119.93 1rgr s SER 93 Ca 0.88 1.51 -0.31 0.00 1.31 0.00 0.00 55.95 59.34 1rgr s SER 93 Cb -0.21 1.85 -0.08 0.00 0.21 0.00 0.00 66.02 67.79 1rgr s SER 93 CO 0.28 -0.22 1.33 -0.63 0.41 0.00 0.00 173.24 174.41 1rgr s ILE 94 N 2.28 3.34 -0.03 1.44 -1.09 -1.13 -4.75 121.20 121.26 1rgr s ILE 94 Ca -0.08 1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 59.36 1rgr s ILE 94 Cb -0.08 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1rgr s ILE 94 CO -0.19 0.11 0.05 0.72 -1.23 0.00 0.00 174.94 174.39 1rgr s PHE 95 N 0.66 0.01 -0.42 3.97 -0.71 -1.24 -1.87 117.98 118.38 1rgr s PHE 95 Ca 0.60 0.18 -0.25 0.00 -1.04 0.00 0.00 56.93 56.43 1rgr s PHE 95 Cb -0.36 -0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.22 1rgr s PHE 95 CO 0.34 -0.11 0.90 0.42 -1.34 0.00 0.00 175.22 175.42 1rgr s ILE 96 N 1.22 4.55 -0.02 -4.49 1.01 -1.26 -0.25 121.20 121.96 1rgr s ILE 96 Ca -0.07 0.89 0.12 0.00 0.00 0.00 0.00 60.65 61.59 1rgr s ILE 96 Cb -0.13 -4.37 -0.17 0.00 0.01 0.00 0.00 42.46 37.81 1rgr s ILE 96 CO -0.03 -0.68 0.98 0.74 0.00 0.00 0.00 174.94 175.94 1rgr h THR 97 N 5.95 1.04 -3.73 2.92 2.02 -1.79 -1.83 112.91 117.49 1rgr h THR 97 Ca -0.24 -2.72 -0.25 0.00 0.77 0.00 0.00 66.41 63.96 1rgr h THR 97 Cb 1.08 2.47 -0.15 0.00 -1.74 0.00 0.00 68.15 69.81 1rgr h THR 97 CO 0.99 0.59 -0.71 -0.54 0.37 0.00 0.00 175.52 176.23 1rgr s LYS 98 N -2.74 0.86 -0.14 6.66 1.02 -1.11 -4.87 119.74 119.42 1rgr s LYS 98 Ca -0.02 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.69 1rgr s LYS 98 Cb 0.09 -0.32 0.01 0.00 -0.52 0.00 0.00 37.83 37.09 1rgr s LYS 98 CO 0.81 0.01 -0.21 0.96 -0.92 0.00 0.00 175.35 176.00 1rgr s ILE 99 N -3.33 2.00 0.16 2.17 -4.36 -1.26 -0.41 121.20 116.16 1rgr s ILE 99 Ca 0.11 -0.94 -0.31 0.00 -0.26 0.00 0.00 60.65 59.25 1rgr s ILE 99 Cb 0.03 -1.77 -0.09 0.00 1.25 0.00 0.00 42.46 41.88 1rgr s ILE 99 CO -0.03 0.54 1.47 -0.63 0.24 0.00 0.00 174.94 176.53 1rgr s ILE 100 N 0.86 2.92 0.24 8.37 1.09 -0.80 -4.91 121.20 128.96 1rgr s ILE 100 Ca -0.06 0.67 -0.31 0.00 -1.10 0.00 0.00 60.65 59.85 1rgr s ILE 100 Cb -0.15 -3.43 -0.11 0.00 -1.06 0.00 0.00 42.46 37.70 1rgr s ILE 100 CO -0.02 0.06 1.65 -2.84 -0.10 0.00 0.00 174.94 173.68 1rgr s PRO 101 N 0.91 4.14 -0.12 2.79 0.02 -1.26 -1.47 135.00 140.01 1rgr s PRO 101 Ca 0.66 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.24 1rgr s PRO 101 Cb -0.41 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1rgr s PRO 101 CO 0.32 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1rgr n GLY 102 N 3.22 0.50 3.96 0.52 0.00 -1.26 -5.06 105.19 107.06 1rgr n GLY 102 Ca 0.12 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.41 1.77 0.16 -0.02 0.00 -0.54 -4.93 107.32 101.35 1rgr s GLY 103 Ca 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 43.42 1rgr s GLY 103 CO 0.00 -0.85 1.44 0.00 0.00 0.00 0.00 173.10 173.69 1rgr h ALA 104 N -0.28 0.56 -0.53 3.20 0.00 -0.91 -0.84 119.26 120.45 1rgr h ALA 104 Ca -0.42 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 53.86 1rgr h ALA 104 Cb 1.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1rgr h ALA 104 CO 0.53 0.69 -0.05 0.00 0.00 0.00 0.00 179.25 180.43 1rgr h ALA 105 N 0.81 0.91 -0.33 0.00 0.00 -1.83 -1.26 119.26 117.56 1rgr h ALA 105 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1rgr h ALA 105 Cb 1.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1rgr h ALA 105 CO 0.12 0.64 -0.21 0.00 0.00 0.00 0.00 179.25 179.80 1rgr h ALA 106 N 1.08 0.47 0.08 0.00 0.00 -1.75 -2.97 119.26 116.15 1rgr h ALA 106 Ca 0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rgr h ALA 106 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rgr h ALA 106 CO 0.03 0.42 -0.04 -0.56 0.00 0.00 0.00 179.25 179.11 1rgr h GLN 107 N 0.49 -0.10 0.00 0.00 -0.00 -1.16 -3.39 115.11 110.95 1rgr h GLN 107 Ca 0.07 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1rgr h GLN 107 Cb 0.76 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.26 1rgr h GLN 107 CO 0.06 0.42 -0.00 0.22 -0.00 0.00 0.00 178.83 179.53 1rgr h ASP 108 N -0.74 -0.00 0.00 0.06 1.82 -1.40 -3.48 116.42 112.68 1rgr h ASP 108 Ca -0.01 -0.45 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1rgr h ASP 108 Cb 0.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1rgr h ASP 108 CO 0.02 0.45 0.00 0.61 -1.61 0.00 0.00 179.24 178.71 1rgr n GLY 109 N 0.12 5.48 0.83 -0.78 0.00 -1.12 -5.05 105.19 104.66 1rgr n GLY 109 Ca -0.08 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 1rgr n GLY 109 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rgr n ARG 110 N 0.00 0.00 -0.06 1.61 -4.01 -1.23 -4.37 116.66 108.60 1rgr n ARG 110 Ca 0.00 -0.67 0.00 0.00 -1.04 0.00 0.00 57.85 56.14 1rgr n ARG 110 Cb 0.00 0.35 0.00 0.00 -3.04 0.00 0.00 32.46 29.77 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 1rgr n LEU 111 N 0.00 2.66 0.00 2.89 -0.00 -1.26 -4.94 117.00 116.35 1rgr n LEU 111 Ca -0.19 -1.30 0.07 0.00 -0.00 0.00 0.00 56.01 54.59 1rgr n LEU 111 Cb 0.62 -0.47 -0.02 0.00 -0.00 0.00 0.00 43.42 43.55 1rgr n LEU 111 CO -0.09 0.46 -0.10 0.54 -0.00 0.00 0.00 177.39 178.20 1rgr n ARG 112 N 0.74 -1.06 -0.01 1.47 1.74 -1.26 -4.12 116.66 114.16 1rgr n ARG 112 Ca 0.00 0.70 -0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1rgr n ARG 112 Cb 0.40 -1.29 -0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.16 -0.01 0.00 1.55 0.24 -1.26 -4.82 118.33 111.87 1rgr n VAL 113 Ca 0.00 0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 1rgr n VAL 113 Cb 0.24 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.36 0.00 0.00 -1.34 2.85 -1.21 -4.85 115.26 108.35 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 -2.88 1.20 2.03 -0.69 -4.43 116.55 111.78 1rgr n ASP 115 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1rgr n ASP 115 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1rgr n ASP 115 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rgr n SER 116 N 4.03 -2.70 -4.68 1.67 7.64 -1.26 -4.03 113.62 114.29 1rgr n SER 116 Ca 0.00 -2.90 -0.42 0.00 1.01 0.00 0.00 58.87 56.56 1rgr n SER 116 Cb 0.00 1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 64.46 1rgr n SER 116 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1rgr s ILE 117 N 0.60 3.29 -0.16 0.44 1.10 -0.78 -2.64 121.20 123.06 1rgr s ILE 117 Ca 0.31 0.68 -0.03 0.00 -0.51 0.00 0.00 60.65 61.10 1rgr s ILE 117 Cb 0.06 -3.44 -0.09 0.00 0.15 0.00 0.00 42.46 39.15 1rgr s ILE 117 CO -0.12 -0.01 -0.16 0.00 -2.11 0.00 0.00 174.94 172.54 1rgr n LEU 118 N 5.75 2.25 -4.03 8.50 -0.00 -0.24 -3.87 117.00 125.36 1rgr n LEU 118 Ca 0.15 0.03 -0.23 0.00 -0.00 0.00 0.00 56.01 55.96 1rgr n LEU 118 Cb 0.42 -0.51 -0.16 0.00 -0.00 0.00 0.00 43.42 43.17 1rgr n LEU 118 CO 0.62 0.59 -0.46 -0.36 -0.00 0.00 0.00 177.39 177.77 1rgr s PHE 119 N -2.30 1.27 -0.13 1.47 0.08 -1.22 -1.86 117.98 115.28 1rgr s PHE 119 Ca -0.21 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.47 1rgr s PHE 119 Cb 0.07 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1rgr s PHE 119 CO 0.32 -0.17 -0.16 0.54 -0.10 0.00 0.00 175.22 175.65 1rgr s VAL 120 N 0.33 1.65 0.00 -0.44 0.11 -1.21 -1.22 120.40 119.63 1rgr s VAL 120 Ca -0.07 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1rgr s VAL 120 Cb -0.12 -1.51 0.00 0.00 -1.53 0.00 0.00 36.38 33.22 1rgr s VAL 120 CO 0.02 0.47 0.00 0.59 -3.33 0.00 0.00 175.10 172.85 1rgr n ASN 121 N 4.36 0.00 0.00 3.54 3.02 0.84 -2.17 115.26 124.85 1rgr n ASN 121 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1rgr n ASN 121 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.99 3.52 4.07 -1.26 -4.89 120.64 120.08 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 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 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 0.00 2.59 -1.11 6.31 1.01 -0.92 -4.95 120.40 123.33 1rgr s VAL 123 Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 1rgr s VAL 123 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1rgr s VAL 123 CO 0.00 0.09 1.60 1.51 0.00 0.00 0.00 175.10 178.29 1rgr s ASP 124 N 0.29 6.45 0.00 3.32 -4.77 -1.26 -3.28 116.67 117.42 1rgr s ASP 124 Ca 0.59 -1.72 0.00 0.00 -3.30 0.00 0.00 52.55 48.11 1rgr s ASP 124 Cb -0.42 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 38.83 1rgr s ASP 124 CO 0.45 -1.56 0.00 1.33 0.70 0.00 0.00 175.17 176.09 1rgr n VAL 125 N 6.84 0.00 0.00 2.11 0.24 -1.23 -4.92 118.33 121.37 1rgr n VAL 125 Ca 0.39 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 1rgr n VAL 125 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.48 7.34 1.85 -0.78 -3.45 116.66 120.14 1rgr n ARG 126 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 1rgr n ARG 126 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 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 1.70 -4.02 2.89 2.13 -1.21 -2.84 120.64 119.30 1rgr n GLU 127 Ca 0.00 -2.12 -0.10 0.00 0.66 0.00 0.00 57.16 55.60 1rgr n GLU 127 Cb 0.00 -3.17 -0.07 0.00 0.27 0.00 0.00 31.44 28.47 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 6.33 0.04 0.20 6.31 0.11 -1.22 -4.96 120.40 127.20 1rgr s VAL 128 Ca 0.59 -1.51 -0.33 0.00 -2.93 0.00 0.00 61.98 57.81 1rgr s VAL 128 Cb 0.10 -2.06 -0.13 0.00 -1.53 0.00 0.00 36.38 32.76 1rgr s VAL 128 CO 0.11 -0.16 1.61 0.35 -3.33 0.00 0.00 175.10 173.68 1rgr n THR 129 N -0.27 0.17 -0.33 5.04 -2.24 -1.26 -0.94 114.28 114.45 1rgr n THR 129 Ca -0.04 -0.04 0.30 0.00 -2.27 0.00 0.00 64.05 62.00 1rgr n THR 129 Cb 0.63 -1.72 0.64 0.00 -2.10 0.00 0.00 70.33 67.78 1rgr n THR 129 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1rgr h HIS 130 N 5.96 0.31 -0.70 4.78 2.07 -1.89 -1.94 115.15 123.74 1rgr h HIS 130 Ca -0.44 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.04 1rgr h HIS 130 Cb 1.24 -0.09 -0.03 0.00 2.57 0.00 0.00 27.41 31.10 1rgr h HIS 130 CO 0.62 0.01 0.23 0.77 -3.07 0.00 0.00 177.93 176.50 1rgr h SER 131 N 0.17 0.99 0.14 3.10 0.02 -1.98 -0.22 113.55 115.78 1rgr h SER 131 Ca 0.59 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 61.27 1rgr h SER 131 Cb 1.95 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1rgr h SER 131 CO -0.16 0.91 -0.35 0.00 -1.14 0.00 0.00 176.83 176.10 1rgr h ALA 132 N 1.22 1.14 -0.04 3.77 0.00 -1.75 -1.49 119.26 122.12 1rgr h ALA 132 Ca 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1rgr h ALA 132 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rgr h ALA 132 CO -0.01 0.56 -0.16 0.00 0.00 0.00 0.00 179.25 179.63 1rgr h ALA 133 N 1.38 0.07 -0.71 0.00 0.00 -1.40 -0.28 119.26 118.33 1rgr h ALA 133 Ca 0.03 -0.39 0.13 0.00 0.00 0.00 0.00 54.91 54.68 1rgr h ALA 133 Cb 0.74 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1rgr h ALA 133 CO 0.06 0.02 0.27 -0.24 0.00 0.00 0.00 179.25 179.36 1rgr h VAL 134 N -0.39 0.68 -0.16 0.00 3.04 -1.15 0.25 116.25 118.53 1rgr h VAL 134 Ca -0.01 -0.15 0.05 0.00 -1.01 0.00 0.00 66.70 65.58 1rgr h VAL 134 Cb 0.82 0.22 -0.05 0.00 -2.01 0.00 0.00 31.29 30.26 1rgr h VAL 134 CO 0.03 0.08 -0.17 -0.08 -1.01 0.00 0.00 177.57 176.43 1rgr h GLU 135 N 0.43 -0.19 0.00 4.17 4.57 -1.29 -1.93 114.58 120.34 1rgr h GLU 135 Ca 0.38 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.49 1rgr h GLU 135 Cb 0.55 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1rgr h GLU 135 CO -0.38 -0.12 -0.41 0.00 -1.18 0.00 0.00 179.01 176.92 1rgr h ALA 136 N 0.88 1.32 0.00 2.92 0.00 -0.62 0.43 119.26 124.17 1rgr h ALA 136 Ca 0.11 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1rgr h ALA 136 Cb 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1rgr h ALA 136 CO -0.27 0.51 -0.19 -0.07 0.00 0.00 0.00 179.25 179.23 1rgr h LEU 137 N 0.00 -0.55 -0.37 0.00 4.07 -0.45 -0.20 115.31 117.82 1rgr h LEU 137 Ca -0.00 0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.90 1rgr h LEU 137 Cb 0.72 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1rgr h LEU 137 CO 0.05 -0.25 -0.30 0.11 -1.08 0.00 0.00 178.44 176.97 1rgr h LYS 138 N -0.31 0.85 0.00 1.13 1.57 -1.19 -3.14 116.57 115.48 1rgr h LYS 138 Ca 0.06 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1rgr h LYS 138 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1rgr h LYS 138 CO -0.18 1.06 0.00 -1.91 -0.57 0.00 0.00 179.45 177.86 1rgr n GLU 139 N -4.17 0.18 -0.27 3.15 2.13 0.15 -2.58 120.64 119.23 1rgr n GLU 139 Ca -0.02 0.15 0.17 0.00 0.66 0.00 0.00 57.16 58.12 1rgr n GLU 139 Cb 0.49 -1.50 0.46 0.00 0.27 0.00 0.00 31.44 31.16 1rgr n GLU 139 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rgr h ALA 140 N 2.53 2.08 -4.72 4.31 0.00 -0.97 -3.49 119.26 119.00 1rgr h ALA 140 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rgr h ALA 140 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rgr h ALA 140 CO 0.00 -0.38 -0.34 0.41 0.00 0.00 0.00 179.25 178.94 1rgr n GLY 141 N -1.47 -1.15 4.31 0.00 0.00 -1.07 -3.54 105.19 102.27 1rgr n GLY 141 Ca 0.20 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.08 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 -0.47 0.00 -3.46 1.61 7.64 -1.26 -4.88 113.62 112.79 1rgr n SER 142 Ca 0.08 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.79 1rgr n SER 142 Cb 0.36 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.20 -0.35 -0.35 0.44 -0.00 -1.23 -1.63 121.20 117.88 1rgr s ILE 143 Ca 0.00 -0.20 -0.20 0.00 -0.00 0.00 0.00 60.65 60.25 1rgr s ILE 143 Cb 0.00 -0.75 -0.00 0.00 -0.00 0.00 0.00 42.46 41.70 1rgr s ILE 143 CO 0.00 -0.26 0.62 -0.69 -0.00 0.00 0.00 174.94 174.61 1rgr s VAL 144 N 2.34 4.91 -0.56 8.37 1.01 0.94 -4.74 120.40 132.68 1rgr s VAL 144 Ca 0.08 0.60 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1rgr s VAL 144 Cb -0.15 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.29 1rgr s VAL 144 CO -0.17 -0.27 0.60 -0.60 0.00 0.00 0.00 175.10 174.66 1rgr s ARG 145 N 2.65 3.02 0.09 2.72 3.52 -1.26 -0.68 118.95 129.01 1rgr s ARG 145 Ca 0.24 -1.50 -0.16 0.00 -0.13 0.00 0.00 55.73 54.18 1rgr s ARG 145 Cb -0.15 -4.28 -0.07 0.00 -1.56 0.00 0.00 34.95 28.90 1rgr s ARG 145 CO 0.14 -1.43 0.52 -0.51 -0.81 0.00 0.00 175.30 173.21 1rgr s LEU 146 N 2.16 4.43 -0.17 -0.88 1.43 0.50 -0.11 118.68 126.03 1rgr s LEU 146 Ca 0.07 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1rgr s LEU 146 Cb -0.27 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.00 1rgr s LEU 146 CO 0.05 0.21 -0.02 -0.31 0.23 0.00 0.00 176.35 176.50 1rgr s TYR 147 N -1.27 1.45 -0.15 0.29 1.51 -0.36 -0.60 117.35 118.21 1rgr s TYR 147 Ca 0.32 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1rgr s TYR 147 Cb -0.17 -1.19 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1rgr s TYR 147 CO 0.18 -0.60 -0.21 0.54 -1.11 0.00 0.00 175.55 174.35 1rgr s VAL 148 N 1.72 2.11 -0.11 0.71 0.11 -0.80 -1.07 120.40 123.06 1rgr s VAL 148 Ca -0.00 -0.95 -0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1rgr s VAL 148 Cb -0.16 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.81 1rgr s VAL 148 CO -0.07 0.54 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.84 1rgr s MET 149 N 0.94 3.20 -0.04 1.54 0.00 -1.08 -1.31 119.30 122.54 1rgr s MET 149 Ca -0.04 -0.58 -0.15 0.00 0.00 0.00 0.00 55.69 54.92 1rgr s MET 149 Cb -0.15 -2.69 -0.05 0.00 0.00 0.00 0.00 34.83 31.94 1rgr s MET 149 CO -0.05 0.41 0.41 1.03 0.00 0.00 0.00 175.02 176.83 1rgr s ARG 150 N -0.13 4.06 -0.21 4.11 0.52 -1.21 -4.61 118.95 121.48 1rgr s ARG 150 Ca 0.01 0.39 -0.23 0.00 -0.52 0.00 0.00 55.73 55.38 1rgr s ARG 150 Cb -0.13 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 1rgr s ARG 150 CO 0.03 0.52 0.73 0.50 0.02 0.00 0.00 175.30 177.09 1rgr s ARG 151 N -0.52 4.21 0.04 3.54 6.06 -1.26 -4.10 118.95 126.92 1rgr s ARG 151 Ca 0.24 0.78 -0.27 0.00 -2.50 0.00 0.00 55.73 53.97 1rgr s ARG 151 Cb -0.16 -3.60 -0.17 0.00 0.06 0.00 0.00 34.95 31.08 1rgr s ARG 151 CO 0.12 -0.35 1.40 0.87 -2.50 0.00 0.00 175.30 174.83 1rgr h LYS 152 N 7.55 -0.55 -6.43 5.12 1.57 -2.00 -3.42 116.57 118.41 1rgr h LYS 152 Ca -0.28 0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.00 1rgr h LYS 152 Cb 1.13 0.12 0.02 0.00 0.08 0.00 0.00 32.23 33.58 1rgr h LYS 152 CO 0.81 -0.27 1.06 -1.25 -0.57 0.00 0.00 179.45 179.24 1rgr s PRO 153 N -5.25 4.17 0.00 3.15 0.04 -1.26 -5.26 135.00 130.60 1rgr s PRO 153 Ca -0.15 2.41 0.09 0.00 0.04 0.00 0.00 61.00 63.39 1rgr s PRO 153 Cb 0.03 -3.71 0.51 0.00 0.04 0.00 0.00 34.50 31.37 1rgr s PRO 153 CO 0.57 -0.80 0.96 -2.30 0.04 0.00 0.00 177.00 175.48