#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 1.75 -0.14 -0.32 1.13 -1.26 -1.51 117.35 116.99 1rgr s TYR 63 Ca 0.00 -0.66 -0.08 0.00 -1.41 0.00 0.00 57.07 54.93 1rgr s TYR 63 Cb 0.00 -1.23 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 1rgr s TYR 63 CO 0.00 -0.30 0.13 -1.21 -2.51 0.00 0.00 175.55 171.66 1rgr s GLU 64 N 0.53 3.65 -0.31 -3.49 0.41 -0.65 -4.84 118.70 114.00 1rgr s GLU 64 Ca -0.15 -0.18 -0.11 0.00 -0.41 0.00 0.00 54.97 54.13 1rgr s GLU 64 Cb -0.16 -3.24 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1rgr s GLU 64 CO 0.05 0.62 0.18 -1.21 -0.49 0.00 0.00 175.26 174.41 1rgr s GLU 65 N -0.58 3.53 -0.19 1.61 2.02 -1.26 -1.43 118.70 122.40 1rgr s GLU 65 Ca 0.12 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 1rgr s GLU 65 Cb -0.12 -3.63 0.05 0.00 0.10 0.00 0.00 34.13 30.53 1rgr s GLU 65 CO 0.02 -0.36 -0.01 0.42 0.02 0.00 0.00 175.26 175.35 1rgr s ILE 66 N 1.67 0.93 -0.13 -1.63 1.09 0.45 -5.03 121.20 118.56 1rgr s ILE 66 Ca 0.06 -0.71 -0.16 0.00 -1.10 0.00 0.00 60.65 58.74 1rgr s ILE 66 Cb -0.17 -1.26 -0.05 0.00 -1.06 0.00 0.00 42.46 39.92 1rgr s ILE 66 CO 0.08 -0.07 0.37 -0.89 -0.10 0.00 0.00 174.94 174.34 1rgr s THR 67 N 1.69 5.24 0.00 2.92 2.01 -1.26 -0.83 115.64 125.41 1rgr s THR 67 Ca -0.01 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1rgr s THR 67 Cb -0.17 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1rgr s THR 67 CO -0.07 0.38 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.95 1rgr s LEU 68 N 0.38 2.06 -0.45 4.42 0.20 -0.32 -5.00 118.68 119.97 1rgr s LEU 68 Ca 0.21 -0.20 -0.28 0.00 0.69 0.00 0.00 54.13 54.54 1rgr s LEU 68 Cb -0.14 -0.32 0.03 0.00 -0.43 0.00 0.00 46.19 45.32 1rgr s LEU 68 CO 0.07 0.03 1.08 -1.61 -0.29 0.00 0.00 176.35 175.64 1rgr s GLU 69 N -0.43 3.75 0.26 1.98 0.41 -1.26 -0.96 118.70 122.44 1rgr s GLU 69 Ca 0.01 0.57 -0.29 0.00 -0.41 0.00 0.00 54.97 54.84 1rgr s GLU 69 Cb -0.04 -3.88 -0.09 0.00 -1.78 0.00 0.00 34.13 28.34 1rgr s GLU 69 CO -0.00 -1.26 1.23 0.50 -0.49 0.00 0.00 175.26 175.24 1rgr s ARG 70 N 4.16 4.47 1.13 1.61 3.52 -0.73 -4.73 118.95 128.39 1rgr s ARG 70 Ca 0.45 2.00 -0.13 0.00 -0.13 0.00 0.00 55.73 57.93 1rgr s ARG 70 Cb -0.09 -3.16 0.27 0.00 -1.56 0.00 0.00 34.95 30.41 1rgr s ARG 70 CO 0.28 -0.07 1.04 0.20 -0.81 0.00 0.00 175.30 175.94 1rgr s GLY 71 N -0.29 1.55 0.00 8.12 0.00 -1.25 -4.67 107.32 110.78 1rgr s GLY 71 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1rgr s GLY 71 CO 0.43 0.58 0.86 -2.01 0.00 0.00 0.00 173.10 172.96 1rgr n ASN 72 N -4.80 0.00 -0.07 1.64 2.85 -1.26 -4.46 115.26 109.17 1rgr n ASN 72 Ca 0.04 0.89 -0.04 0.00 -0.11 0.00 0.00 54.58 55.36 1rgr n ASN 72 Cb 0.54 -0.43 -0.14 0.00 1.24 0.00 0.00 39.78 41.00 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 -1.79 0.69 -4.27 1.20 7.64 -1.26 -4.97 113.62 110.86 1rgr n SER 73 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1rgr n SER 73 Cb 0.00 1.18 -0.14 0.00 -1.01 0.00 0.00 64.21 64.23 1rgr n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rgr s GLY 74 N -4.89 1.17 0.00 0.23 0.00 -1.26 -5.10 107.32 97.46 1rgr s GLY 74 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1rgr s GLY 74 CO 0.73 -1.00 0.03 1.04 0.00 0.00 0.00 173.10 173.90 1rgr n LEU 75 N 1.87 0.77 0.00 0.66 4.32 -1.26 -3.95 117.00 119.42 1rgr n LEU 75 Ca -0.17 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1rgr n LEU 75 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1rgr n LEU 75 CO 0.23 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1rgr n GLY 76 N 2.32 0.00 3.32 -0.72 0.00 -1.26 -0.90 105.19 107.95 1rgr n GLY 76 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1rgr n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rgr s PHE 77 N 0.00 1.61 -0.16 1.61 0.40 -1.26 -2.30 117.98 117.88 1rgr s PHE 77 Ca 0.00 -1.47 -0.05 0.00 -0.60 0.00 0.00 56.93 54.81 1rgr s PHE 77 Cb 0.00 -0.80 0.08 0.00 0.51 0.00 0.00 43.02 42.81 1rgr s PHE 77 CO 0.00 -0.64 0.33 -1.12 0.70 0.00 0.00 175.22 174.49 1rgr s SER 78 N -3.37 0.15 -0.15 1.36 0.01 0.38 -4.44 113.70 107.64 1rgr s SER 78 Ca 0.37 0.70 -0.12 0.00 1.31 0.00 0.00 55.95 58.20 1rgr s SER 78 Cb 0.04 0.96 -0.05 0.00 0.21 0.00 0.00 66.02 67.18 1rgr s SER 78 CO 0.20 -0.24 0.25 0.27 0.41 0.00 0.00 173.24 174.13 1rgr s ILE 79 N 2.50 5.33 0.76 1.44 -4.36 -1.26 -1.79 121.20 123.81 1rgr s ILE 79 Ca 0.01 0.46 -0.13 0.00 -0.26 0.00 0.00 60.65 60.73 1rgr s ILE 79 Cb -0.12 -3.58 0.18 0.00 1.25 0.00 0.00 42.46 40.19 1rgr s ILE 79 CO -0.11 0.45 1.01 0.00 0.24 0.00 0.00 174.94 176.53 1rgr n ALA 80 N 3.20 -1.25 -2.43 2.27 0.00 0.10 -4.80 120.51 117.60 1rgr n ALA 80 Ca -0.14 -1.32 -0.23 0.00 0.00 0.00 0.00 53.44 51.75 1rgr n ALA 80 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -5.17 1.50 0.00 0.00 0.00 -1.26 -3.81 107.32 98.58 1rgr s GLY 81 Ca 0.58 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1rgr s GLY 81 CO 0.41 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 173.23 1rgr n GLY 82 N -1.97 3.72 0.29 0.20 0.00 -0.40 -4.35 105.19 102.68 1rgr n GLY 82 Ca -0.01 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 44.04 1rgr n GLY 82 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rgr h THR 83 N 0.00 0.93 -0.72 2.61 2.02 -1.60 -2.30 112.91 113.85 1rgr h THR 83 Ca 0.00 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1rgr h THR 83 Cb 0.00 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1rgr h THR 83 CO 0.00 0.14 0.33 -2.24 0.37 0.00 0.00 175.52 174.12 1rgr h ASP 84 N 0.75 0.94 -2.40 4.18 2.03 -1.95 -3.40 116.42 116.57 1rgr h ASP 84 Ca 0.36 -0.11 -0.52 0.00 -0.73 0.00 0.00 57.03 56.02 1rgr h ASP 84 Cb 0.29 -0.24 -0.37 0.00 -0.83 0.00 0.00 39.33 38.19 1rgr h ASP 84 CO -0.23 0.81 -0.81 0.21 -1.03 0.00 0.00 179.24 178.19 1rgr s ASN 85 N -6.41 2.38 -0.19 4.15 2.47 -1.12 -5.10 114.94 111.12 1rgr s ASN 85 Ca -0.11 -2.09 -0.10 0.00 0.42 0.00 0.00 52.86 50.99 1rgr s ASN 85 Cb 0.16 -0.14 -0.05 0.00 -1.45 0.00 0.00 41.25 39.78 1rgr s ASN 85 CO 0.81 -0.29 0.12 -2.16 -3.72 0.00 0.00 177.10 171.87 1rgr s PRO 86 N 1.10 4.12 0.63 0.43 0.04 -0.88 -1.28 135.00 139.16 1rgr s PRO 86 Ca 0.19 -0.22 0.36 0.00 0.04 0.00 0.00 61.00 61.37 1rgr s PRO 86 Cb -0.19 -3.39 2.04 0.00 0.04 0.00 0.00 34.50 33.01 1rgr s PRO 86 CO -0.01 0.33 2.25 1.25 0.04 0.00 0.00 177.00 180.86 1rgr h HIS 87 N 6.55 0.00 -1.94 0.56 2.76 -1.84 -3.43 115.15 117.81 1rgr h HIS 87 Ca -0.42 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 57.77 1rgr h HIS 87 Cb 1.16 0.00 -0.23 0.00 1.55 0.00 0.00 27.41 29.89 1rgr h HIS 87 CO 0.59 0.00 -0.25 0.96 -1.30 0.00 0.00 177.93 177.94 1rgr s ILE 88 N -4.37 -0.88 -2.00 6.26 -5.25 -1.26 -5.04 121.20 108.66 1rgr s ILE 88 Ca -0.05 0.04 0.07 0.00 -0.99 0.00 0.00 60.65 59.72 1rgr s ILE 88 Cb 0.14 -0.90 0.19 0.00 2.95 0.00 0.00 42.46 44.83 1rgr s ILE 88 CO 0.46 0.01 1.12 0.61 -1.79 0.00 0.00 174.94 175.35 1rgr n GLY 89 N 5.42 -0.85 0.01 6.27 0.00 -1.26 -3.90 105.19 110.88 1rgr n GLY 89 Ca -0.08 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.62 0.68 -3.26 1.61 8.00 -1.26 -4.81 116.55 116.89 1rgr n ASP 90 Ca 0.05 -0.57 -0.06 0.00 0.71 0.00 0.00 54.79 54.92 1rgr n ASP 90 Cb 0.02 1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.17 1rgr n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rgr s ASP 91 N -3.50 -0.53 -0.80 -2.24 -1.08 -1.25 -5.10 116.67 102.17 1rgr s ASP 91 Ca 0.04 -1.11 -0.25 0.00 -0.52 0.00 0.00 52.55 50.71 1rgr s ASP 91 Cb 0.15 1.44 -0.03 0.00 -1.46 0.00 0.00 42.92 43.02 1rgr s ASP 91 CO 0.85 -0.20 1.88 -2.16 0.52 0.00 0.00 175.17 176.05 1rgr s PRO 92 N 1.67 2.64 -0.09 4.34 0.04 -1.26 -4.88 135.00 137.45 1rgr s PRO 92 Ca 0.17 0.01 -0.04 0.00 0.04 0.00 0.00 61.00 61.17 1rgr s PRO 92 Cb -0.08 -4.80 0.04 0.00 0.04 0.00 0.00 34.50 29.70 1rgr s PRO 92 CO -0.05 -3.06 0.21 -1.12 0.04 0.00 0.00 177.00 173.02 1rgr s SER 93 N 7.81 -0.11 -0.26 6.66 0.01 -1.21 -2.69 113.70 123.91 1rgr s SER 93 Ca 0.67 0.44 -0.29 0.00 1.31 0.00 0.00 55.95 58.08 1rgr s SER 93 Cb -0.09 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 1rgr s SER 93 CO 0.07 -0.17 1.36 -0.63 0.41 0.00 0.00 173.24 174.28 1rgr s ILE 94 N 1.37 4.07 0.18 1.44 -1.09 -1.18 -4.69 121.20 121.30 1rgr s ILE 94 Ca -0.08 1.22 0.05 0.00 -2.23 0.00 0.00 60.65 59.61 1rgr s ILE 94 Cb -0.11 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1rgr s ILE 94 CO -0.07 -0.38 0.19 -0.36 -1.23 0.00 0.00 174.94 173.08 1rgr s PHE 95 N 4.40 3.23 -0.27 3.97 0.08 -1.25 -1.04 117.98 127.10 1rgr s PHE 95 Ca 0.59 -0.00 -0.14 0.00 0.12 0.00 0.00 56.93 57.49 1rgr s PHE 95 Cb -0.19 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 1rgr s PHE 95 CO 0.23 0.51 0.35 0.42 -0.10 0.00 0.00 175.22 176.63 1rgr s ILE 96 N -1.82 5.19 -0.13 0.64 1.01 -1.25 -0.73 121.20 124.12 1rgr s ILE 96 Ca 0.32 0.52 0.18 0.00 0.00 0.00 0.00 60.65 61.67 1rgr s ILE 96 Cb -0.10 -3.68 -0.16 0.00 0.01 0.00 0.00 42.46 38.54 1rgr s ILE 96 CO 0.25 0.17 0.72 0.41 0.00 0.00 0.00 174.94 176.49 1rgr n THR 97 N 5.11 1.02 -4.02 2.92 -1.04 -0.74 -1.20 114.28 116.33 1rgr n THR 97 Ca -0.09 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.05 61.14 1rgr n THR 97 Cb 0.51 -0.58 -0.11 0.00 -1.82 0.00 0.00 70.33 68.33 1rgr n THR 97 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rgr s LYS 98 N -2.99 0.41 -0.23 -2.82 2.20 -0.97 -4.83 119.74 110.51 1rgr s LYS 98 Ca -0.04 -0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 1rgr s LYS 98 Cb 0.09 -0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1rgr s LYS 98 CO 0.82 -0.02 0.18 0.96 -0.36 0.00 0.00 175.35 176.93 1rgr s ILE 99 N -1.61 5.35 -0.13 5.43 -4.36 -1.26 -0.47 121.20 124.15 1rgr s ILE 99 Ca -0.12 0.25 -0.29 0.00 -0.26 0.00 0.00 60.65 60.22 1rgr s ILE 99 Cb -0.09 -3.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.08 1rgr s ILE 99 CO -0.01 0.36 1.31 -0.63 0.24 0.00 0.00 174.94 176.21 1rgr s ILE 100 N 0.92 4.16 0.15 8.37 -1.09 -0.97 -4.91 121.20 127.83 1rgr s ILE 100 Ca 0.09 1.42 -0.31 0.00 -2.23 0.00 0.00 60.65 59.62 1rgr s ILE 100 Cb -0.13 -3.91 -0.08 0.00 -1.58 0.00 0.00 42.46 36.75 1rgr s ILE 100 CO 0.03 -0.11 1.34 -2.16 -1.23 0.00 0.00 174.94 172.82 1rgr s PRO 101 N 3.39 4.36 0.00 2.79 0.04 -1.26 -2.32 135.00 142.00 1rgr s PRO 101 Ca 0.58 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1rgr s PRO 101 Cb -0.24 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1rgr s PRO 101 CO 0.18 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1rgr n GLY 102 N 2.93 0.74 0.00 0.56 0.00 -1.26 -5.04 105.19 103.12 1rgr n GLY 102 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 0.28 0.44 -0.02 0.00 -0.98 -4.77 105.19 98.13 1rgr n GLY 103 Ca 0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.45 -0.99 -0.70 4.61 0.00 -1.18 -1.40 119.26 118.14 1rgr h ALA 104 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1rgr h ALA 104 Cb 0.00 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 1rgr h ALA 104 CO 0.00 -1.08 0.19 0.00 0.00 0.00 0.00 179.25 178.36 1rgr h ALA 105 N -0.67 0.91 -0.33 0.00 0.00 -1.82 -2.10 119.26 115.25 1rgr h ALA 105 Ca -0.07 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1rgr h ALA 105 Cb 0.79 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1rgr h ALA 105 CO 0.03 -0.30 -0.43 0.00 0.00 0.00 0.00 179.25 178.55 1rgr h ALA 106 N 1.56 0.50 0.22 0.00 0.00 -1.75 -3.03 119.26 116.76 1rgr h ALA 106 Ca 0.39 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rgr h ALA 106 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rgr h ALA 106 CO -0.46 0.63 -0.11 -0.56 0.00 0.00 0.00 179.25 178.76 1rgr h GLN 107 N 0.67 -0.28 -0.19 0.00 -0.00 -1.17 -3.39 115.11 110.74 1rgr h GLN 107 Ca 0.04 0.02 -0.19 0.00 -0.00 0.00 0.00 58.65 58.52 1rgr h GLN 107 Cb 1.03 0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 1rgr h GLN 107 CO 0.10 0.08 -0.65 0.22 -0.00 0.00 0.00 178.83 178.58 1rgr h ASP 108 N -0.90 0.81 0.00 0.06 1.82 -1.55 -3.48 116.42 113.18 1rgr h ASP 108 Ca -0.03 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1rgr h ASP 108 Cb 0.50 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1rgr h ASP 108 CO 0.05 1.25 0.00 0.61 -1.61 0.00 0.00 179.24 179.54 1rgr n GLY 109 N 0.48 5.32 2.71 -0.78 0.00 -1.15 -5.04 105.19 106.74 1rgr n GLY 109 Ca -0.05 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 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 0.77 0.00 1.61 0.00 -1.24 -4.38 116.66 113.42 1rgr n ARG 110 Ca 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 57.85 56.27 1rgr n ARG 110 Cb 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 32.46 31.69 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 0.39 0.00 -4.90 2.89 -0.00 -1.26 -5.08 117.00 109.03 1rgr n LEU 111 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.80 1rgr n LEU 111 Cb 0.72 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.10 1rgr n LEU 111 CO -0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 177.39 177.04 1rgr s ARG 112 N -1.22 3.25 0.03 1.47 3.03 -1.26 -5.07 118.95 119.19 1rgr s ARG 112 Ca 0.00 -0.77 -0.18 0.00 2.03 0.00 0.00 55.73 56.81 1rgr s ARG 112 Cb 0.00 -2.82 -0.10 0.00 -1.03 0.00 0.00 34.95 31.00 1rgr s ARG 112 CO 0.00 0.47 1.28 -0.39 -1.13 0.00 0.00 175.30 175.53 1rgr h VAL 113 N 1.56 0.00 0.00 4.99 -1.51 -1.90 -3.32 116.25 116.07 1rgr h VAL 113 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1rgr h VAL 113 Cb 1.21 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1rgr h VAL 113 CO 0.64 0.00 0.90 -3.20 -1.23 0.00 0.00 177.57 174.68 1rgr n ASN 114 N -3.82 0.00 -3.36 4.19 2.85 -0.34 -3.84 115.26 110.94 1rgr n ASN 114 Ca -0.08 0.41 -0.30 0.00 -0.11 0.00 0.00 54.58 54.50 1rgr n ASN 114 Cb 0.26 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.16 1rgr n ASN 114 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1rgr n ASP 115 N -2.21 0.18 -4.52 1.20 8.00 -1.25 -4.42 116.55 113.53 1rgr n ASP 115 Ca 0.00 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 1rgr n ASP 115 Cb 0.90 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 1rgr n ASP 115 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1rgr s SER 116 N 6.52 6.32 -0.42 -2.24 0.01 -1.26 -3.86 113.70 118.78 1rgr s SER 116 Ca 1.01 -0.39 -0.28 0.00 1.31 0.00 0.00 55.95 57.61 1rgr s SER 116 Cb -0.93 -2.45 -0.08 0.00 0.21 0.00 0.00 66.02 62.77 1rgr s SER 116 CO 0.37 -1.30 2.36 0.00 0.41 0.00 0.00 173.24 175.07 1rgr n ILE 117 N 6.21 0.08 -0.04 1.44 0.13 -0.20 -2.17 119.36 124.81 1rgr n ILE 117 Ca 0.02 -0.60 -0.01 0.00 -1.10 0.00 0.00 62.75 61.06 1rgr n ILE 117 Cb 0.47 -2.49 -0.00 0.00 -0.84 0.00 0.00 39.64 36.78 1rgr n ILE 117 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 1rgr h LEU 118 N 17.13 0.00 -7.96 9.51 7.12 -1.18 -3.06 115.31 136.86 1rgr h LEU 118 Ca -0.28 0.00 -0.42 0.00 0.13 0.00 0.00 57.88 57.30 1rgr h LEU 118 Cb 1.27 0.00 -0.31 0.00 -0.53 0.00 0.00 40.66 41.09 1rgr h LEU 118 CO 1.10 0.37 -0.78 -0.36 -0.13 0.00 0.00 178.44 178.63 1rgr s PHE 119 N -1.48 0.92 -0.25 1.25 0.40 -0.50 -3.03 117.98 115.30 1rgr s PHE 119 Ca -0.03 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1rgr s PHE 119 Cb 0.00 -0.67 0.05 0.00 0.51 0.00 0.00 43.02 42.92 1rgr s PHE 119 CO 0.04 -0.10 -0.11 0.54 0.70 0.00 0.00 175.22 176.28 1rgr s VAL 120 N 0.23 2.28 0.00 -0.44 0.11 -1.15 -0.76 120.40 120.67 1rgr s VAL 120 Ca -0.04 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 1rgr s VAL 120 Cb -0.09 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.51 1rgr s VAL 120 CO 0.00 0.10 0.00 0.59 -3.33 0.00 0.00 175.10 172.46 1rgr n ASN 121 N 4.51 0.00 0.00 3.54 3.02 -0.27 -2.49 115.26 123.57 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 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.04 -2.15 3.52 2.13 -1.26 -5.00 120.64 117.92 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 3.02 -0.75 6.31 1.01 -1.04 -4.99 120.40 123.97 1rgr s VAL 123 Ca 0.00 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 62.61 1rgr s VAL 123 Cb 0.00 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.91 1rgr s VAL 123 CO 0.00 0.13 1.06 -0.62 0.00 0.00 0.00 175.10 175.68 1rgr s ASP 124 N 0.30 6.30 0.00 3.32 -1.08 -1.26 -2.93 116.67 121.32 1rgr s ASP 124 Ca 0.57 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 1rgr s ASP 124 Cb -0.38 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 1rgr s ASP 124 CO 0.40 -1.40 0.00 1.33 0.52 0.00 0.00 175.17 176.03 1rgr n VAL 125 N 5.93 0.00 0.00 1.11 0.24 -1.17 -4.85 118.33 119.59 1rgr n VAL 125 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1rgr n VAL 125 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1rgr n VAL 125 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rgr n ARG 126 N 0.00 0.00 -1.95 7.34 1.74 -1.16 -4.45 116.66 118.19 1rgr n ARG 126 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1rgr n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1rgr n ARG 126 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1rgr n GLU 127 N 0.00 3.16 -4.08 5.56 4.71 -1.10 -3.07 120.64 125.82 1rgr n GLU 127 Ca 0.00 -2.94 -0.10 0.00 -0.01 0.00 0.00 57.16 54.11 1rgr n GLU 127 Cb 0.00 -3.15 -0.09 0.00 -1.01 0.00 0.00 31.44 27.20 1rgr n GLU 127 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1rgr s VAL 128 N 2.11 0.06 0.17 2.62 -7.23 -1.26 -5.00 120.40 111.87 1rgr s VAL 128 Ca 0.44 -1.69 -0.33 0.00 -1.81 0.00 0.00 61.98 58.59 1rgr s VAL 128 Cb 0.12 -2.06 -0.13 0.00 0.56 0.00 0.00 36.38 34.87 1rgr s VAL 128 CO -0.05 -0.29 1.63 0.41 -0.31 0.00 0.00 175.10 176.49 1rgr n THR 129 N -0.19 0.02 -0.31 5.32 -1.04 -1.26 -1.71 114.28 115.10 1rgr n THR 129 Ca -0.05 -0.00 0.31 0.00 -2.04 0.00 0.00 64.05 62.27 1rgr n THR 129 Cb 0.64 -1.68 0.67 0.00 -1.82 0.00 0.00 70.33 68.14 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 6.27 0.23 -0.56 -1.42 2.07 -1.90 -1.53 115.15 118.30 1rgr h HIS 130 Ca -0.44 0.01 0.04 0.00 -2.85 0.00 0.00 60.37 57.12 1rgr h HIS 130 Cb 1.24 -0.06 -0.04 0.00 2.57 0.00 0.00 27.41 31.11 1rgr h HIS 130 CO 0.64 0.01 0.31 0.77 -3.07 0.00 0.00 177.93 176.59 1rgr h SER 131 N 0.13 0.47 -0.84 3.10 0.02 -1.98 -0.13 113.55 114.32 1rgr h SER 131 Ca 0.57 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1rgr h SER 131 Cb 1.98 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 64.41 1rgr h SER 131 CO -0.11 0.32 0.54 0.00 -1.14 0.00 0.00 176.83 176.44 1rgr h ALA 132 N 1.28 1.36 -0.10 3.77 0.00 -1.66 -1.31 119.26 122.60 1rgr h ALA 132 Ca 0.24 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1rgr h ALA 132 Cb 0.11 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rgr h ALA 132 CO -0.14 0.57 -0.43 0.00 0.00 0.00 0.00 179.25 179.25 1rgr h ALA 133 N 1.44 0.18 -0.57 0.00 0.00 -1.46 -1.04 119.26 117.81 1rgr h ALA 133 Ca 0.31 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1rgr h ALA 133 Cb -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1rgr h ALA 133 CO -0.06 0.32 0.32 -0.24 0.00 0.00 0.00 179.25 179.58 1rgr h VAL 134 N 0.04 1.00 0.08 0.00 3.04 -1.06 -0.18 116.25 119.17 1rgr h VAL 134 Ca -0.03 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1rgr h VAL 134 Cb 1.08 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1rgr h VAL 134 CO 0.09 0.11 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.39 1rgr h GLU 135 N 0.62 -0.11 -0.22 4.17 4.39 -1.33 -2.17 114.58 119.93 1rgr h GLU 135 Ca 0.24 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.96 1rgr h GLU 135 Cb 0.10 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1rgr h GLU 135 CO -0.14 -0.07 0.15 0.00 -1.16 0.00 0.00 179.01 177.79 1rgr h ALA 136 N 0.81 1.89 0.33 3.43 0.00 -1.07 0.27 119.26 124.93 1rgr h ALA 136 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1rgr h ALA 136 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rgr h ALA 136 CO 0.02 0.09 -0.19 -0.07 0.00 0.00 0.00 179.25 179.09 1rgr h LEU 137 N 0.26 -0.47 -0.74 0.00 3.38 -0.96 -2.63 115.31 114.15 1rgr h LEU 137 Ca 0.09 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1rgr h LEU 137 Cb 0.04 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1rgr h LEU 137 CO -0.02 -0.31 -0.33 0.07 0.09 0.00 0.00 178.44 177.94 1rgr h LYS 138 N -0.50 0.59 0.00 1.13 2.10 -1.03 -3.15 116.57 115.72 1rgr h LYS 138 Ca -0.04 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1rgr h LYS 138 Cb 0.40 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1rgr h LYS 138 CO 0.05 0.84 0.00 0.39 -2.00 0.00 0.00 179.45 178.73 1rgr n GLU 139 N -4.07 0.15 0.21 0.07 -0.58 0.93 -2.57 120.64 114.78 1rgr n GLU 139 Ca -0.01 0.54 0.18 0.00 -0.42 0.00 0.00 57.16 57.45 1rgr n GLU 139 Cb 0.47 -1.88 0.83 0.00 -0.57 0.00 0.00 31.44 30.29 1rgr n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rgr h ALA 140 N 2.12 1.74 0.00 0.62 0.00 -1.42 -3.49 119.26 118.83 1rgr h ALA 140 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rgr h ALA 140 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1rgr h ALA 140 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1rgr n GLY 141 N -1.37 0.99 0.00 0.00 0.00 -1.06 -3.56 105.19 100.20 1rgr n GLY 141 Ca 0.02 -1.07 0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 2.49 0.00 -3.37 1.61 7.64 -1.26 -4.72 113.62 116.01 1rgr n SER 142 Ca 0.00 -0.49 -0.12 0.00 1.01 0.00 0.00 58.87 59.27 1rgr n SER 142 Cb 0.00 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 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 -2.34 -0.54 -0.29 0.44 -0.00 -1.23 -1.77 121.20 115.47 1rgr s ILE 143 Ca 0.36 -0.18 -0.28 0.00 -0.00 0.00 0.00 60.65 60.56 1rgr s ILE 143 Cb 0.21 -0.85 0.01 0.00 -0.00 0.00 0.00 42.46 41.83 1rgr s ILE 143 CO 0.42 -0.21 0.99 0.68 -0.00 0.00 0.00 174.94 176.82 1rgr s VAL 144 N 2.49 4.63 -0.82 8.37 -7.23 -0.14 -4.74 120.40 122.96 1rgr s VAL 144 Ca 0.11 1.67 -0.14 0.00 -1.81 0.00 0.00 61.98 61.80 1rgr s VAL 144 Cb -0.15 -4.32 0.21 0.00 0.56 0.00 0.00 36.38 32.69 1rgr s VAL 144 CO -0.20 -0.34 0.77 -0.13 -0.31 0.00 0.00 175.10 174.89 1rgr s ARG 145 N 3.36 3.57 -0.16 4.82 0.52 -1.26 -1.18 118.95 128.62 1rgr s ARG 145 Ca 0.42 -2.39 -0.16 0.00 -0.52 0.00 0.00 55.73 53.08 1rgr s ARG 145 Cb -0.13 -4.45 -0.04 0.00 0.52 0.00 0.00 34.95 30.85 1rgr s ARG 145 CO 0.12 -1.32 0.38 -0.51 0.02 0.00 0.00 175.30 174.00 1rgr s LEU 146 N 0.37 4.22 -0.12 2.53 1.43 -0.01 -1.11 118.68 126.00 1rgr s LEU 146 Ca 0.18 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1rgr s LEU 146 Cb -0.11 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1rgr s LEU 146 CO -0.08 0.01 -0.11 -0.31 0.23 0.00 0.00 176.35 176.09 1rgr s TYR 147 N 0.79 1.74 -0.11 0.29 2.02 0.06 -0.41 117.35 121.73 1rgr s TYR 147 Ca 0.20 -0.88 -0.01 0.00 -0.37 0.00 0.00 57.07 56.01 1rgr s TYR 147 Cb -0.14 -1.34 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 1rgr s TYR 147 CO 0.07 -0.53 -0.05 0.14 -1.57 0.00 0.00 175.55 173.61 1rgr s VAL 148 N 1.45 0.83 0.18 0.71 -7.23 -0.51 -0.63 120.40 115.20 1rgr s VAL 148 Ca 0.02 -0.20 -0.10 0.00 -1.81 0.00 0.00 61.98 59.89 1rgr s VAL 148 Cb -0.13 -0.91 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 1rgr s VAL 148 CO -0.07 0.31 0.51 -0.32 -0.31 0.00 0.00 175.10 175.22 1rgr s MET 149 N 1.79 3.82 -0.44 4.82 1.75 -0.92 -1.64 119.30 128.47 1rgr s MET 149 Ca 0.05 0.28 -0.18 0.00 -1.25 0.00 0.00 55.69 54.58 1rgr s MET 149 Cb -0.13 -2.79 0.03 0.00 2.84 0.00 0.00 34.83 34.79 1rgr s MET 149 CO -0.07 0.41 0.52 1.03 -0.65 0.00 0.00 175.02 176.25 1rgr s ARG 150 N -2.46 3.15 0.02 4.11 1.81 -0.57 -4.15 118.95 120.85 1rgr s ARG 150 Ca 0.42 -0.68 -0.00 0.00 -1.72 0.00 0.00 55.73 53.74 1rgr s ARG 150 Cb -0.13 -3.98 -0.00 0.00 -0.45 0.00 0.00 34.95 30.39 1rgr s ARG 150 CO 0.21 -0.95 -0.01 0.54 -0.68 0.00 0.00 175.30 174.41 1rgr n ARG 151 N 5.85 0.01 -3.78 3.54 1.74 -1.26 -4.88 116.66 117.89 1rgr n ARG 151 Ca -0.06 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 1rgr n ARG 151 Cb 0.47 -0.18 -0.12 0.00 -1.02 0.00 0.00 32.46 31.60 1rgr n ARG 151 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1rgr s LYS 152 N -1.27 1.79 -0.34 5.56 -0.14 -1.26 -5.10 119.74 118.98 1rgr s LYS 152 Ca -0.01 -2.64 -0.28 0.00 -1.36 0.00 0.00 55.97 51.69 1rgr s LYS 152 Cb 0.00 -2.78 0.02 0.00 -1.68 0.00 0.00 37.83 33.39 1rgr s LYS 152 CO 0.01 -1.23 1.02 -2.14 -0.76 0.00 0.00 175.35 172.24 1rgr s PRO 153 N -0.49 3.98 0.00 -1.68 0.02 -1.26 -5.13 135.00 130.44 1rgr s PRO 153 Ca 0.23 0.87 0.18 0.00 0.02 0.00 0.00 61.00 62.29 1rgr s PRO 153 Cb -0.13 -3.76 1.07 0.00 0.02 0.00 0.00 34.50 31.70 1rgr s PRO 153 CO -0.09 -0.93 1.47 -2.30 -0.33 0.00 0.00 177.00 174.82