#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 1.21 -0.06 -0.32 1.13 -1.26 -1.49 117.35 116.56 1rgr s TYR 63 Ca 0.00 -0.36 0.02 0.00 -1.41 0.00 0.00 57.07 55.32 1rgr s TYR 63 Cb 0.00 -0.87 -0.03 0.00 -1.10 0.00 0.00 41.96 39.96 1rgr s TYR 63 CO 0.00 -0.16 -0.10 -1.21 -2.51 0.00 0.00 175.55 171.57 1rgr s GLU 64 N 0.34 2.65 -0.23 -3.49 0.41 0.26 -4.94 118.70 113.70 1rgr s GLU 64 Ca -0.07 -0.61 -0.02 0.00 -0.41 0.00 0.00 54.97 53.87 1rgr s GLU 64 Cb -0.11 -2.50 0.02 0.00 -1.78 0.00 0.00 34.13 29.75 1rgr s GLU 64 CO 0.02 0.65 -0.08 -1.83 -0.49 0.00 0.00 175.26 173.52 1rgr s GLU 65 N -0.79 2.98 -0.06 1.61 -1.05 -1.26 -1.01 118.70 119.11 1rgr s GLU 65 Ca 0.12 -0.88 -0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1rgr s GLU 65 Cb -0.11 -2.91 0.02 0.00 -0.44 0.00 0.00 34.13 30.70 1rgr s GLU 65 CO 0.01 -0.32 -0.03 0.42 0.95 0.00 0.00 175.26 176.29 1rgr s ILE 66 N 1.35 0.51 -0.22 1.83 1.09 0.37 -5.03 121.20 121.11 1rgr s ILE 66 Ca 0.02 -0.04 -0.13 0.00 -1.10 0.00 0.00 60.65 59.40 1rgr s ILE 66 Cb -0.15 -0.59 -0.04 0.00 -1.06 0.00 0.00 42.46 40.61 1rgr s ILE 66 CO -0.06 0.25 0.28 -0.89 -0.10 0.00 0.00 174.94 174.43 1rgr s THR 67 N 1.41 5.28 -0.03 2.92 2.01 -1.26 -0.65 115.64 125.31 1rgr s THR 67 Ca -0.03 0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.48 1rgr s THR 67 Cb -0.13 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1rgr s THR 67 CO -0.03 0.30 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.23 1rgr s LEU 68 N 1.20 2.01 -0.12 4.42 1.02 -0.51 -5.00 118.68 121.69 1rgr s LEU 68 Ca 0.13 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.88 1rgr s LEU 68 Cb -0.14 -1.11 -0.02 0.00 0.02 0.00 0.00 46.19 44.94 1rgr s LEU 68 CO 0.06 0.23 -0.10 -1.61 0.02 0.00 0.00 176.35 174.95 1rgr s GLU 69 N -0.29 3.32 0.00 1.70 2.02 -1.26 -0.72 118.70 123.47 1rgr s GLU 69 Ca 0.03 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1rgr s GLU 69 Cb -0.10 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1rgr s GLU 69 CO 0.01 0.30 0.00 -2.13 0.02 0.00 0.00 175.26 173.46 1rgr n ARG 70 N 3.30 0.00 0.00 1.61 3.00 0.50 -4.32 116.66 120.75 1rgr n ARG 70 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1rgr n ARG 70 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 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 -0.81 5.88 5.14 0.00 -0.31 -4.64 105.19 110.46 1rgr n GLY 71 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.14 0.00 -0.01 1.61 2.85 -1.26 -2.53 115.26 116.07 1rgr n ASN 72 Ca 0.00 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.55 1rgr n ASN 72 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 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 5.36 1.11 0.00 1.20 7.64 -1.26 -5.09 113.62 122.58 1rgr n SER 73 Ca 0.00 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1rgr n SER 73 Cb 0.00 1.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.71 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 1.51 1.31 0.00 0.23 0.00 -1.05 -5.02 105.19 102.17 1rgr n GLY 74 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1rgr n GLY 74 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1rgr n LEU 75 N 0.00 0.30 -1.74 0.99 -0.00 -1.26 -1.16 117.00 114.13 1rgr n LEU 75 Ca 0.00 -0.41 -0.08 0.00 -0.00 0.00 0.00 56.01 55.51 1rgr n LEU 75 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1rgr n LEU 75 CO 0.00 0.07 0.08 0.61 -0.00 0.00 0.00 177.39 178.16 1rgr n GLY 76 N 0.23 0.33 3.55 1.47 0.00 -1.26 -0.88 105.19 108.62 1rgr n GLY 76 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.13 -1.00 0.24 1.61 -0.12 -1.26 -1.66 117.98 112.66 1rgr s PHE 77 Ca 0.17 1.96 -0.20 0.00 -0.05 0.00 0.00 56.93 58.81 1rgr s PHE 77 Cb -0.08 0.57 -0.08 0.00 -0.63 0.00 0.00 43.02 42.80 1rgr s PHE 77 CO 0.28 -0.51 0.74 -1.12 -0.05 0.00 0.00 175.22 174.56 1rgr s SER 78 N 1.80 7.07 -0.12 1.98 0.01 0.76 -4.85 113.70 120.35 1rgr s SER 78 Ca -0.09 1.45 0.03 0.00 1.31 0.00 0.00 55.95 58.65 1rgr s SER 78 Cb -0.07 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1rgr s SER 78 CO -0.18 0.01 -0.22 0.27 0.41 0.00 0.00 173.24 173.54 1rgr s ILE 79 N -1.55 2.19 0.00 1.44 -5.25 -1.26 -2.20 121.20 114.58 1rgr s ILE 79 Ca 0.44 -0.96 0.00 0.00 -0.99 0.00 0.00 60.65 59.15 1rgr s ILE 79 Cb -0.17 -1.86 0.00 0.00 2.95 0.00 0.00 42.46 43.38 1rgr s ILE 79 CO 0.21 0.55 0.00 0.00 -1.79 0.00 0.00 174.94 173.91 1rgr n ALA 80 N 3.75 0.00 -2.73 2.27 0.00 0.77 -4.89 120.51 119.68 1rgr n ALA 80 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 1rgr n ALA 80 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.31 1.38 0.00 0.00 0.00 -1.26 -3.81 107.32 101.32 1rgr s GLY 81 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1rgr s GLY 81 CO 0.00 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.80 1rgr n GLY 82 N -1.56 3.43 0.36 0.20 0.00 -0.25 -3.45 105.19 103.92 1rgr n GLY 82 Ca -0.06 -2.05 0.08 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 0.03 0.88 -0.39 2.61 1.35 -1.13 -2.39 112.91 113.87 1rgr h THR 83 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1rgr h THR 83 Cb 0.00 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.28 1rgr h THR 83 CO 0.00 0.17 0.00 0.47 -0.25 0.00 0.00 175.52 175.91 1rgr n ASP 84 N -4.66 2.44 -3.04 5.36 9.92 -1.26 -4.62 116.55 120.69 1rgr n ASP 84 Ca 0.19 -1.93 -0.01 0.00 -0.53 0.00 0.00 54.79 52.52 1rgr n ASP 84 Cb 0.39 -0.25 -0.00 0.00 -0.64 0.00 0.00 41.12 40.61 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 -1.21 -1.42 -0.20 -2.24 2.47 -0.93 -5.05 114.94 106.36 1rgr s ASN 85 Ca 0.33 -1.04 -0.05 0.00 0.42 0.00 0.00 52.86 52.52 1rgr s ASN 85 Cb 0.18 1.83 -0.02 0.00 -1.45 0.00 0.00 41.25 41.79 1rgr s ASN 85 CO 0.24 -0.12 0.00 -2.16 -3.72 0.00 0.00 177.10 171.34 1rgr s PRO 86 N 1.53 3.62 -0.12 0.43 0.04 -1.04 -1.09 135.00 138.37 1rgr s PRO 86 Ca 0.20 -0.52 0.06 0.00 0.04 0.00 0.00 61.00 60.78 1rgr s PRO 86 Cb -0.02 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.32 1rgr s PRO 86 CO -0.07 0.01 -0.04 1.58 0.04 0.00 0.00 177.00 178.52 1rgr n HIS 87 N 4.26 0.00 -3.86 0.56 -0.00 -1.26 -4.94 115.22 109.98 1rgr n HIS 87 Ca -0.17 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.92 1rgr n HIS 87 Cb 0.52 -0.55 -0.07 0.00 -0.12 0.00 0.00 29.99 29.77 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 -2.28 0.11 0.00 3.57 -5.25 -1.26 -4.89 121.20 111.20 1rgr s ILE 88 Ca -0.12 -1.17 0.00 0.00 -0.99 0.00 0.00 60.65 58.37 1rgr s ILE 88 Cb 0.04 -1.48 0.00 0.00 2.95 0.00 0.00 42.46 43.97 1rgr s ILE 88 CO 0.40 -0.50 0.00 0.61 -1.79 0.00 0.00 174.94 173.66 1rgr n GLY 89 N -0.13 1.72 0.98 6.27 0.00 -1.26 -1.87 105.19 110.91 1rgr n GLY 89 Ca -0.13 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 9.67 3.19 0.00 1.61 8.00 -1.26 -5.04 116.55 132.72 1rgr n ASP 90 Ca 0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1rgr n ASP 90 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 1rgr n ASP 90 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rgr n ASP 91 N 1.23 0.00 -4.48 -2.24 8.00 -0.78 -4.97 116.55 113.31 1rgr n ASP 91 Ca 0.16 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.23 1rgr n ASP 91 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1rgr n ASP 91 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1rgr s PRO 92 N 0.00 4.04 -0.28 -0.24 0.04 -1.26 -4.09 135.00 133.21 1rgr s PRO 92 Ca 0.00 -2.46 -0.01 0.00 0.04 0.00 0.00 61.00 58.57 1rgr s PRO 92 Cb 0.00 -5.11 0.17 0.00 0.04 0.00 0.00 34.50 29.60 1rgr s PRO 92 CO 0.00 -1.82 0.51 -1.12 0.04 0.00 0.00 177.00 174.61 1rgr s SER 93 N 3.05 -0.77 -0.13 6.66 0.01 -1.22 -4.14 113.70 117.16 1rgr s SER 93 Ca 0.43 0.61 -0.29 0.00 1.31 0.00 0.00 55.95 58.00 1rgr s SER 93 Cb -0.02 1.76 -0.04 0.00 0.21 0.00 0.00 66.02 67.93 1rgr s SER 93 CO 0.00 -0.28 1.60 -0.63 0.41 0.00 0.00 173.24 174.34 1rgr s ILE 94 N 2.74 3.71 -0.01 1.44 -1.09 -0.97 -4.46 121.20 122.56 1rgr s ILE 94 Ca 0.18 0.83 0.04 0.00 -2.23 0.00 0.00 60.65 59.47 1rgr s ILE 94 Cb -0.15 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1rgr s ILE 94 CO -0.19 -0.16 -0.14 0.12 -1.23 0.00 0.00 174.94 173.34 1rgr s PHE 95 N 4.48 1.25 -0.52 3.97 5.36 -1.25 -1.85 117.98 129.43 1rgr s PHE 95 Ca 0.71 -0.24 -0.25 0.00 -0.96 0.00 0.00 56.93 56.19 1rgr s PHE 95 Cb -0.29 -0.80 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1rgr s PHE 95 CO 0.28 -0.02 0.93 0.42 -1.46 0.00 0.00 175.22 175.37 1rgr s ILE 96 N -0.35 4.42 -0.09 3.12 -1.09 -1.19 -0.17 121.20 125.85 1rgr s ILE 96 Ca 0.05 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1rgr s ILE 96 Cb -0.05 -4.50 -0.24 0.00 -1.58 0.00 0.00 42.46 36.08 1rgr s ILE 96 CO -0.00 -1.01 0.46 0.41 -1.23 0.00 0.00 174.94 173.57 1rgr n THR 97 N 6.28 1.68 -4.04 2.92 -1.04 -0.93 -1.51 114.28 117.63 1rgr n THR 97 Ca 0.03 -0.73 -0.10 0.00 -2.04 0.00 0.00 64.05 61.22 1rgr n THR 97 Cb 0.48 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.55 1rgr n THR 97 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1rgr s LYS 98 N -2.57 1.04 -0.17 -2.82 -2.85 -1.19 -4.83 119.74 106.35 1rgr s LYS 98 Ca -0.14 -1.29 -0.03 0.00 -1.00 0.00 0.00 55.97 53.52 1rgr s LYS 98 Cb 0.07 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 36.14 1rgr s LYS 98 CO 0.79 -0.35 -0.07 0.96 0.10 0.00 0.00 175.35 176.78 1rgr s ILE 99 N -4.00 3.41 0.09 3.79 -4.36 -1.26 -0.17 121.20 118.70 1rgr s ILE 99 Ca 0.20 -0.51 -0.31 0.00 -0.26 0.00 0.00 60.65 59.77 1rgr s ILE 99 Cb 0.05 -2.50 -0.07 0.00 1.25 0.00 0.00 42.46 41.20 1rgr s ILE 99 CO 0.00 0.48 1.27 -0.63 0.24 0.00 0.00 174.94 176.30 1rgr s ILE 100 N 0.76 3.74 0.21 8.37 1.09 -0.66 -4.88 121.20 129.82 1rgr s ILE 100 Ca -0.03 1.26 -0.32 0.00 -1.10 0.00 0.00 60.65 60.46 1rgr s ILE 100 Cb -0.15 -3.81 -0.12 0.00 -1.06 0.00 0.00 42.46 37.32 1rgr s ILE 100 CO 0.02 0.11 1.68 -2.65 -0.10 0.00 0.00 174.94 173.99 1rgr n PRO 101 N 3.81 2.64 -1.33 2.79 -0.02 -1.26 -1.62 135.00 140.00 1rgr n PRO 101 Ca 0.09 0.95 -0.08 0.00 -2.02 0.00 0.00 63.50 62.44 1rgr n PRO 101 Cb 0.45 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.65 0.92 2.70 -1.23 0.00 -1.26 -5.06 105.19 104.91 1rgr n GLY 102 Ca 0.15 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.88 -0.40 0.11 -0.02 0.00 -0.64 -4.83 105.19 97.53 1rgr n GLY 103 Ca -0.08 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.24 -0.18 -0.82 4.61 0.00 -1.16 0.89 119.26 121.37 1rgr h ALA 104 Ca -0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1rgr h ALA 104 Cb 0.84 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1rgr h ALA 104 CO 0.23 -0.50 0.45 0.00 0.00 0.00 0.00 179.25 179.42 1rgr h ALA 105 N 0.47 1.25 -0.35 0.00 0.00 -1.78 -0.57 119.26 118.28 1rgr h ALA 105 Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1rgr h ALA 105 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rgr h ALA 105 CO 0.03 0.61 -0.23 0.00 0.00 0.00 0.00 179.25 179.65 1rgr h ALA 106 N 1.35 0.50 0.04 0.00 0.00 -1.74 -2.91 119.26 116.51 1rgr h ALA 106 Ca 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rgr h ALA 106 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1rgr h ALA 106 CO -0.05 0.49 -0.02 -0.56 0.00 0.00 0.00 179.25 179.11 1rgr h GLN 107 N 0.57 -0.05 -0.00 0.00 -0.00 -0.76 -3.39 115.11 111.47 1rgr h GLN 107 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1rgr h GLN 107 Cb 0.80 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.29 1rgr h GLN 107 CO 0.06 0.53 -0.01 0.22 -0.00 0.00 0.00 178.83 179.63 1rgr h ASP 108 N -0.69 0.01 -1.20 0.06 1.82 -1.27 -3.48 116.42 111.68 1rgr h ASP 108 Ca -0.01 -0.57 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1rgr h ASP 108 Cb 0.61 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1rgr h ASP 108 CO 0.01 0.59 0.00 0.61 -1.61 0.00 0.00 179.24 178.84 1rgr n GLY 109 N 0.46 5.33 2.36 -0.78 0.00 -1.10 -5.09 105.19 106.38 1rgr n GLY 109 Ca -0.09 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 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 1.08 -0.04 1.61 3.00 -1.25 -4.28 116.66 116.77 1rgr n ARG 110 Ca 0.00 -3.36 0.00 0.00 -0.01 0.00 0.00 57.85 54.48 1rgr n ARG 110 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 30.90 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1rgr n LEU 111 N 0.15 0.00 -4.37 0.55 -0.00 -1.26 -5.11 117.00 106.96 1rgr n LEU 111 Ca 0.20 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.93 1rgr n LEU 111 Cb 0.71 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.00 1rgr n LEU 111 CO 0.23 -0.05 -0.56 0.00 -0.00 0.00 0.00 177.39 177.01 1rgr s ARG 112 N 0.91 1.36 0.01 1.47 3.03 -1.26 -5.08 118.95 119.39 1rgr s ARG 112 Ca 0.00 -1.31 -0.02 0.00 2.03 0.00 0.00 55.73 56.44 1rgr s ARG 112 Cb 0.00 -1.81 -0.01 0.00 -1.03 0.00 0.00 34.95 32.11 1rgr s ARG 112 CO 0.00 0.43 1.03 -0.39 -1.13 0.00 0.00 175.30 175.23 1rgr h VAL 113 N 3.93 0.00 0.00 4.99 -1.51 -1.91 -3.41 116.25 118.34 1rgr h VAL 113 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1rgr h VAL 113 Cb 1.17 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1rgr h VAL 113 CO 0.39 0.00 0.01 0.59 -1.23 0.00 0.00 177.57 177.34 1rgr n ASN 114 N -2.83 -0.03 -3.59 4.19 3.02 -0.57 -4.52 115.26 110.93 1rgr n ASN 114 Ca -0.00 -0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.45 1rgr n ASN 114 Cb 0.02 -0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.09 1rgr n ASN 114 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1rgr s ASP 115 N 0.03 -0.16 -0.91 6.41 1.01 -1.26 -5.00 116.67 116.78 1rgr s ASP 115 Ca 0.00 0.83 -0.24 0.00 0.71 0.00 0.00 52.55 53.85 1rgr s ASP 115 Cb 0.00 1.30 0.05 0.00 1.01 0.00 0.00 42.92 45.28 1rgr s ASP 115 CO 0.00 -0.25 1.37 -0.44 0.21 0.00 0.00 175.17 176.06 1rgr s SER 116 N 2.60 6.38 -0.15 0.27 0.01 -1.26 -3.16 113.70 118.39 1rgr s SER 116 Ca 0.02 -1.13 -0.29 0.00 1.31 0.00 0.00 55.95 55.85 1rgr s SER 116 Cb -0.13 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1rgr s SER 116 CO -0.13 -1.60 2.15 0.00 0.41 0.00 0.00 173.24 174.07 1rgr n ILE 117 N 6.64 0.46 -0.09 1.44 0.13 -0.77 -1.84 119.36 125.33 1rgr n ILE 117 Ca 0.22 -0.37 -0.13 0.00 -1.10 0.00 0.00 62.75 61.37 1rgr n ILE 117 Cb 0.50 -2.48 -0.09 0.00 -0.84 0.00 0.00 39.64 36.74 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 10.48 2.93 -3.91 9.51 -0.00 -0.27 -2.94 117.00 132.80 1rgr n LEU 118 Ca 0.27 -0.10 -0.17 0.00 -0.00 0.00 0.00 56.01 56.02 1rgr n LEU 118 Cb 0.43 -0.63 -0.15 0.00 -0.00 0.00 0.00 43.42 43.07 1rgr n LEU 118 CO 0.67 0.81 -0.40 -0.36 -0.00 0.00 0.00 177.39 178.11 1rgr s PHE 119 N -2.37 0.48 -0.14 1.47 0.08 -0.84 -2.92 117.98 113.74 1rgr s PHE 119 Ca -0.25 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.72 1rgr s PHE 119 Cb 0.06 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.14 1rgr s PHE 119 CO 0.43 -0.08 -0.16 0.54 -0.10 0.00 0.00 175.22 175.86 1rgr s VAL 120 N 0.38 1.68 0.00 -0.44 0.11 -1.19 -0.80 120.40 120.14 1rgr s VAL 120 Ca -0.04 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1rgr s VAL 120 Cb -0.08 -1.54 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 1rgr s VAL 120 CO -0.00 0.48 0.00 0.59 -3.33 0.00 0.00 175.10 172.83 1rgr n ASN 121 N 4.53 0.00 0.00 3.54 3.02 -0.23 -2.14 115.26 123.98 1rgr n ASN 121 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 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 -2.36 3.52 2.13 -1.26 -4.98 120.64 117.68 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 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 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 3.49 -0.65 6.31 1.01 -0.91 -4.99 120.40 124.66 1rgr s VAL 123 Ca 0.00 1.29 -0.27 0.00 0.00 0.00 0.00 61.98 63.00 1rgr s VAL 123 Cb 0.00 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1rgr s VAL 123 CO 0.00 0.22 1.39 -0.62 0.00 0.00 0.00 175.10 176.10 1rgr s ASP 124 N -0.02 6.05 0.00 3.32 2.15 -1.26 -3.16 116.67 123.75 1rgr s ASP 124 Ca 0.52 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1rgr s ASP 124 Cb -0.33 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 1rgr s ASP 124 CO 0.38 -1.84 0.00 1.33 -0.17 0.00 0.00 175.17 174.87 1rgr n VAL 125 N 6.67 0.00 0.00 1.11 0.24 -1.15 -4.94 118.33 120.27 1rgr n VAL 125 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 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 -2.29 7.34 -4.01 -1.15 -3.43 116.66 113.12 1rgr n ARG 126 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 1rgr n ARG 126 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1rgr n ARG 126 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1rgr n GLU 127 N 0.00 3.53 -4.09 2.89 0.00 -1.26 -2.28 120.64 119.43 1rgr n GLU 127 Ca 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 57.16 53.63 1rgr n GLU 127 Cb 0.00 -2.97 -0.09 0.00 0.00 0.00 0.00 31.44 28.38 1rgr n GLU 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1rgr s VAL 128 N 0.74 0.05 0.24 6.31 0.11 -1.22 -4.94 120.40 121.68 1rgr s VAL 128 Ca 0.40 -1.73 -0.32 0.00 -2.93 0.00 0.00 61.98 57.41 1rgr s VAL 128 Cb 0.10 -2.14 -0.12 0.00 -1.53 0.00 0.00 36.38 32.68 1rgr s VAL 128 CO -0.01 -0.22 1.62 0.41 -3.33 0.00 0.00 175.10 173.57 1rgr n THR 129 N -0.22 0.48 -0.35 5.04 -1.04 -1.26 -0.61 114.28 116.33 1rgr n THR 129 Ca -0.03 -0.12 0.30 0.00 -2.04 0.00 0.00 64.05 62.15 1rgr n THR 129 Cb 0.64 -1.85 0.61 0.00 -1.82 0.00 0.00 70.33 67.92 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 5.61 0.41 -0.94 -1.42 2.07 -1.90 -2.17 115.15 116.82 1rgr h HIS 130 Ca -0.45 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 1rgr h HIS 130 Cb 1.23 -0.12 -0.05 0.00 2.57 0.00 0.00 27.41 31.04 1rgr h HIS 130 CO 0.61 -0.00 0.60 0.77 -3.07 0.00 0.00 177.93 176.83 1rgr h SER 131 N 0.21 1.10 -0.34 3.10 0.02 -1.97 0.12 113.55 115.78 1rgr h SER 131 Ca 0.63 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.42 1rgr h SER 131 Cb 1.96 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.21 1rgr h SER 131 CO -0.22 0.82 -0.17 0.00 -1.14 0.00 0.00 176.83 176.12 1rgr h ALA 132 N 1.33 0.90 0.39 3.77 0.00 -1.78 -2.46 119.26 121.41 1rgr h ALA 132 Ca 0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rgr h ALA 132 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1rgr h ALA 132 CO -0.07 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.62 1rgr h ALA 133 N 1.09 -0.52 -0.80 0.00 0.00 -1.39 -1.50 119.26 116.14 1rgr h ALA 133 Ca 0.11 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.02 1rgr h ALA 133 Cb 0.68 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 1rgr h ALA 133 CO 0.05 -0.62 0.16 -0.24 0.00 0.00 0.00 179.25 178.60 1rgr h VAL 134 N -0.87 0.39 0.42 0.00 3.04 -0.91 0.16 116.25 118.48 1rgr h VAL 134 Ca -0.05 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 65.54 1rgr h VAL 134 Cb 0.55 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1rgr h VAL 134 CO 0.09 0.04 -0.20 -0.08 -1.01 0.00 0.00 177.57 176.40 1rgr h GLU 135 N 0.21 -0.54 -0.40 4.17 4.57 -1.47 -0.72 114.58 120.40 1rgr h GLU 135 Ca 0.47 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.66 1rgr h GLU 135 Cb 0.87 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1rgr h GLU 135 CO -0.61 -0.36 0.15 0.00 -1.18 0.00 0.00 179.01 177.02 1rgr h ALA 136 N 0.01 1.52 0.37 2.92 0.00 -0.90 0.32 119.26 123.50 1rgr h ALA 136 Ca -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1rgr h ALA 136 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rgr h ALA 136 CO 0.09 0.37 -0.28 -0.07 0.00 0.00 0.00 179.25 179.36 1rgr h LEU 137 N 0.56 -0.73 -1.19 0.00 4.07 -0.69 -1.13 115.31 116.21 1rgr h LEU 137 Ca 0.14 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 1rgr h LEU 137 Cb 0.13 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1rgr h LEU 137 CO -0.01 -0.43 -0.11 0.11 -1.08 0.00 0.00 178.44 176.92 1rgr h LYS 138 N -0.65 0.43 0.00 1.13 1.57 -0.96 -3.07 116.57 115.02 1rgr h LYS 138 Ca -0.03 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1rgr h LYS 138 Cb 0.56 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1rgr h LYS 138 CO 0.00 0.54 -0.15 0.93 -0.57 0.00 0.00 179.45 180.20 1rgr h GLU 139 N 0.40 0.00 -0.57 3.15 4.39 -0.38 -1.78 114.58 119.79 1rgr h GLU 139 Ca 0.08 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.94 1rgr h GLU 139 Cb 0.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1rgr h GLU 139 CO 0.02 0.15 0.46 0.00 -1.16 0.00 0.00 179.01 178.49 1rgr h ALA 140 N 1.85 2.44 0.00 3.43 0.00 -1.09 -3.48 119.26 122.40 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 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rgr h ALA 140 CO 0.02 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 178.93 1rgr n GLY 141 N -1.60 0.70 0.00 0.00 0.00 -0.67 -3.33 105.19 100.29 1rgr n GLY 141 Ca 0.11 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 45.14 1rgr n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rgr n SER 142 N 2.83 0.00 -3.42 1.61 7.64 -1.26 -4.00 113.62 117.02 1rgr n SER 142 Ca 0.00 -0.64 -0.17 0.00 1.01 0.00 0.00 58.87 59.07 1rgr n SER 142 Cb 0.00 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.21 -0.40 -0.30 0.44 -0.00 -1.21 -0.37 121.20 117.14 1rgr s ILE 143 Ca 0.38 -0.34 -0.18 0.00 -0.00 0.00 0.00 60.65 60.51 1rgr s ILE 143 Cb 0.20 -0.89 -0.02 0.00 -0.00 0.00 0.00 42.46 41.76 1rgr s ILE 143 CO 0.38 -0.36 0.52 0.68 -0.00 0.00 0.00 174.94 176.16 1rgr s VAL 144 N 2.37 5.03 -0.81 8.37 -7.23 0.10 -4.78 120.40 123.46 1rgr s VAL 144 Ca 0.09 0.64 -0.20 0.00 -1.81 0.00 0.00 61.98 60.70 1rgr s VAL 144 Cb -0.15 -3.90 0.11 0.00 0.56 0.00 0.00 36.38 33.00 1rgr s VAL 144 CO -0.26 -0.07 1.03 -0.13 -0.31 0.00 0.00 175.10 175.37 1rgr s ARG 145 N 2.38 3.39 -0.20 4.82 0.52 -1.26 -1.42 118.95 127.17 1rgr s ARG 145 Ca 0.20 -1.42 -0.13 0.00 -0.52 0.00 0.00 55.73 53.86 1rgr s ARG 145 Cb -0.15 -4.63 -0.05 0.00 0.52 0.00 0.00 34.95 30.64 1rgr s ARG 145 CO 0.11 -1.76 0.27 -0.51 0.02 0.00 0.00 175.30 173.43 1rgr s LEU 146 N 3.13 4.18 -0.14 2.53 1.43 0.17 -1.07 118.68 128.91 1rgr s LEU 146 Ca 0.27 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1rgr s LEU 146 Cb -0.11 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1rgr s LEU 146 CO -0.02 0.04 -0.12 -0.31 0.23 0.00 0.00 176.35 176.18 1rgr s TYR 147 N 0.89 1.95 -0.06 0.29 2.02 0.02 -0.47 117.35 121.98 1rgr s TYR 147 Ca 0.14 -1.07 0.04 0.00 -0.37 0.00 0.00 57.07 55.81 1rgr s TYR 147 Cb -0.13 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1rgr s TYR 147 CO 0.05 -0.62 -0.18 0.14 -1.57 0.00 0.00 175.55 173.36 1rgr s VAL 148 N 1.56 1.57 -0.38 0.71 -7.23 -0.18 -1.12 120.40 115.33 1rgr s VAL 148 Ca 0.05 -0.77 -0.14 0.00 -1.81 0.00 0.00 61.98 59.31 1rgr s VAL 148 Cb -0.13 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1rgr s VAL 148 CO -0.10 0.45 0.27 -0.32 -0.31 0.00 0.00 175.10 175.09 1rgr s MET 149 N 0.23 3.19 -0.16 4.82 1.75 -0.77 -0.57 119.30 127.80 1rgr s MET 149 Ca -0.10 -0.86 -0.22 0.00 -1.25 0.00 0.00 55.69 53.27 1rgr s MET 149 Cb -0.14 -3.89 -0.03 0.00 2.84 0.00 0.00 34.83 33.61 1rgr s MET 149 CO 0.04 -0.61 0.65 1.03 -0.65 0.00 0.00 175.02 175.48 1rgr s ARG 150 N 1.69 4.28 0.54 4.11 0.52 -0.56 -4.33 118.95 125.21 1rgr s ARG 150 Ca 0.05 0.70 0.23 0.00 -0.52 0.00 0.00 55.73 56.20 1rgr s ARG 150 Cb -0.18 -3.53 1.41 0.00 0.52 0.00 0.00 34.95 33.16 1rgr s ARG 150 CO 0.10 -0.14 2.06 0.07 0.02 0.00 0.00 175.30 177.40 1rgr h ARG 151 N 7.23 0.00 -0.94 3.54 0.11 -1.97 -3.42 114.38 118.93 1rgr h ARG 151 Ca -0.34 0.00 0.10 0.00 0.10 0.00 0.00 59.98 59.84 1rgr h ARG 151 Cb 1.16 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.19 1rgr h ARG 151 CO 0.78 0.00 -0.30 1.63 0.10 0.00 0.00 179.97 182.17 1rgr n LYS 152 N -4.32 -0.88 -2.88 0.08 4.76 -1.26 -4.75 118.16 108.90 1rgr n LYS 152 Ca 0.05 0.70 -0.43 0.00 -2.87 0.00 0.00 58.31 55.75 1rgr n LYS 152 Cb 0.41 -1.04 -0.05 0.00 -1.84 0.00 0.00 35.03 32.51 1rgr n LYS 152 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1rgr s PRO 153 N -2.88 3.38 0.00 1.97 0.05 -1.26 -5.27 135.00 130.99 1rgr s PRO 153 Ca 0.00 -0.16 0.21 0.00 0.05 0.00 0.00 61.00 61.10 1rgr s PRO 153 Cb 0.00 -4.00 1.26 0.00 0.05 0.00 0.00 34.50 31.81 1rgr s PRO 153 CO 0.00 -1.31 1.64 -2.30 0.05 0.00 0.00 177.00 175.08