#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 1.93 -0.12 -1.84 1.13 -1.26 -3.32 117.35 113.87 1rgr s TYR 63 Ca 0.00 -0.49 -0.03 0.00 -1.41 0.00 0.00 57.07 55.14 1rgr s TYR 63 Cb 0.00 -1.27 -0.03 0.00 -1.10 0.00 0.00 41.96 39.56 1rgr s TYR 63 CO 0.00 -0.13 -0.01 -1.21 -2.51 0.00 0.00 175.55 171.69 1rgr s GLU 64 N -0.19 3.28 -0.18 -3.49 2.02 -0.04 -4.84 118.70 115.25 1rgr s GLU 64 Ca 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 54.97 54.40 1rgr s GLU 64 Cb -0.11 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1rgr s GLU 64 CO 0.01 0.52 0.34 -1.83 0.02 0.00 0.00 175.26 174.32 1rgr s GLU 65 N -0.37 4.21 -0.06 1.61 -1.05 -1.26 -1.30 118.70 120.47 1rgr s GLU 65 Ca 0.07 0.13 -0.01 0.00 -0.15 0.00 0.00 54.97 55.02 1rgr s GLU 65 Cb -0.12 -3.48 0.03 0.00 -0.44 0.00 0.00 34.13 30.11 1rgr s GLU 65 CO 0.02 0.10 -0.01 0.42 0.95 0.00 0.00 175.26 176.74 1rgr s ILE 66 N 0.89 0.42 -0.23 1.83 1.09 0.32 -5.02 121.20 120.50 1rgr s ILE 66 Ca 0.17 0.05 -0.07 0.00 -1.10 0.00 0.00 60.65 59.70 1rgr s ILE 66 Cb -0.14 -0.54 -0.03 0.00 -1.06 0.00 0.00 42.46 40.69 1rgr s ILE 66 CO 0.06 0.25 0.07 -0.89 -0.10 0.00 0.00 174.94 174.33 1rgr s THR 67 N 1.65 4.48 -0.08 2.92 2.01 -1.26 -0.53 115.64 124.84 1rgr s THR 67 Ca 0.00 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1rgr s THR 67 Cb -0.13 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 1rgr s THR 67 CO -0.04 0.37 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.26 1rgr s LEU 68 N 1.28 2.05 -0.31 4.42 1.02 -0.34 -5.00 118.68 121.81 1rgr s LEU 68 Ca 0.05 -0.52 -0.09 0.00 0.02 0.00 0.00 54.13 53.59 1rgr s LEU 68 Cb -0.15 -1.35 -0.00 0.00 0.02 0.00 0.00 46.19 44.72 1rgr s LEU 68 CO 0.04 0.19 0.13 -0.70 0.02 0.00 0.00 176.35 176.03 1rgr s GLU 69 N 0.12 3.28 0.00 1.70 2.12 -1.26 -1.00 118.70 123.66 1rgr s GLU 69 Ca -0.11 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1rgr s GLU 69 Cb -0.16 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1rgr s GLU 69 CO 0.06 -0.42 0.00 -2.13 -0.54 0.00 0.00 175.26 172.23 1rgr n ARG 70 N 4.95 0.00 0.00 4.30 3.00 0.32 -4.47 116.66 124.76 1rgr n ARG 70 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1rgr n ARG 70 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 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 4.86 0.68 3.84 5.14 0.00 -1.19 -4.88 105.19 113.64 1rgr n GLY 71 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1rgr n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rgr s ASN 72 N -1.13 -0.22 0.50 1.61 3.84 -1.26 -4.96 114.94 113.33 1rgr s ASN 72 Ca 0.00 -0.66 0.29 0.00 0.21 0.00 0.00 52.86 52.70 1rgr s ASN 72 Cb 0.00 0.72 1.18 0.00 -0.55 0.00 0.00 41.25 42.60 1rgr s ASN 72 CO 0.00 -1.35 1.93 0.28 -2.79 0.00 0.00 177.10 175.17 1rgr h SER 73 N 2.00 0.00 -3.91 -4.21 0.02 -1.99 -3.36 113.55 102.10 1rgr h SER 73 Ca -0.21 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 59.99 1rgr h SER 73 Cb 1.25 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.48 1rgr h SER 73 CO 0.25 0.12 -0.06 -0.83 -1.14 0.00 0.00 176.83 175.17 1rgr s GLY 74 N -4.23 2.68 0.00 -3.77 0.00 -1.26 -4.93 107.32 95.81 1rgr s GLY 74 Ca 0.00 -3.39 0.16 0.00 0.00 0.00 0.00 44.72 41.50 1rgr s GLY 74 CO 0.59 1.20 1.40 1.47 0.00 0.00 0.00 173.10 177.76 1rgr n LEU 75 N 3.57 0.00 0.00 0.66 -0.00 -1.26 -4.72 117.00 115.25 1rgr n LEU 75 Ca 0.13 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1rgr n LEU 75 Cb 0.42 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1rgr n LEU 75 CO 0.34 -0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.29 1rgr n GLY 76 N 0.01 1.02 3.45 1.47 0.00 -1.26 -1.33 105.19 108.55 1rgr n GLY 76 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 -1.30 -0.13 1.61 -0.71 -1.26 -1.27 117.98 112.92 1rgr s PHE 77 Ca 0.00 2.01 -0.22 0.00 -1.04 0.00 0.00 56.93 57.68 1rgr s PHE 77 Cb 0.00 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.43 1rgr s PHE 77 CO 0.00 -0.69 0.67 -1.12 -1.34 0.00 0.00 175.22 172.73 1rgr s SER 78 N 2.83 6.85 -0.19 1.98 0.01 -0.03 -4.86 113.70 120.28 1rgr s SER 78 Ca 0.02 1.02 -0.06 0.00 1.31 0.00 0.00 55.95 58.24 1rgr s SER 78 Cb -0.13 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1rgr s SER 78 CO -0.18 -0.19 0.04 0.27 0.41 0.00 0.00 173.24 173.58 1rgr s ILE 79 N 1.32 4.43 0.31 1.44 -5.25 -1.26 -2.79 121.20 119.40 1rgr s ILE 79 Ca 0.33 -0.16 -0.05 0.00 -0.99 0.00 0.00 60.65 59.79 1rgr s ILE 79 Cb -0.17 -3.00 0.07 0.00 2.95 0.00 0.00 42.46 42.31 1rgr s ILE 79 CO 0.14 0.44 0.41 0.00 -1.79 0.00 0.00 174.94 174.13 1rgr n ALA 80 N 3.91 -0.51 -2.88 2.27 0.00 0.79 -4.87 120.51 119.23 1rgr n ALA 80 Ca -0.17 -0.54 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 1rgr n ALA 80 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -3.87 1.31 0.00 0.00 0.00 -1.26 -3.70 107.32 99.80 1rgr s GLY 81 Ca 0.23 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1rgr s GLY 81 CO 0.16 -1.32 0.00 0.61 0.00 0.00 0.00 173.10 172.55 1rgr n GLY 82 N -1.37 3.77 0.30 0.20 0.00 -0.51 -3.39 105.19 104.19 1rgr n GLY 82 Ca -0.08 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 43.94 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 0.08 0.74 -0.64 2.61 1.35 -1.40 -1.60 112.91 114.05 1rgr h THR 83 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1rgr h THR 83 Cb 0.00 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 1rgr h THR 83 CO 0.00 0.11 0.00 -0.67 -0.25 0.00 0.00 175.52 174.71 1rgr n ASP 84 N -4.89 4.01 -2.86 5.36 2.03 -1.26 -4.53 116.55 114.42 1rgr n ASP 84 Ca 0.15 -2.21 -0.12 0.00 0.52 0.00 0.00 54.79 53.14 1rgr n ASP 84 Cb 0.40 -0.50 0.02 0.00 -0.72 0.00 0.00 41.12 40.32 1rgr n ASP 84 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1rgr n ASN 85 N 1.25 -2.15 -4.69 1.67 5.15 -0.77 -5.00 115.26 110.73 1rgr n ASN 85 Ca 0.23 -3.17 -0.40 0.00 -0.60 0.00 0.00 54.58 50.65 1rgr n ASN 85 Cb 0.70 1.24 -0.05 0.00 -0.53 0.00 0.00 39.78 41.14 1rgr n ASN 85 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1rgr s PRO 86 N 0.23 4.31 0.49 1.20 0.04 -0.67 -1.43 135.00 139.17 1rgr s PRO 86 Ca 0.33 0.67 0.18 0.00 0.04 0.00 0.00 61.00 62.22 1rgr s PRO 86 Cb 0.22 -3.51 1.21 0.00 0.04 0.00 0.00 34.50 32.46 1rgr s PRO 86 CO -0.21 -0.07 2.04 1.25 0.04 0.00 0.00 177.00 180.04 1rgr h HIS 87 N 7.11 0.18 -2.78 0.56 2.76 -1.80 -3.43 115.15 117.74 1rgr h HIS 87 Ca -0.36 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.65 1rgr h HIS 87 Cb 1.17 -0.06 -0.30 0.00 1.55 0.00 0.00 27.41 29.77 1rgr h HIS 87 CO 0.67 0.09 -0.44 0.96 -1.30 0.00 0.00 177.93 177.91 1rgr s ILE 88 N -5.18 -0.30 -2.00 6.26 -5.25 -1.26 -5.02 121.20 108.44 1rgr s ILE 88 Ca -0.06 0.19 0.06 0.00 -0.99 0.00 0.00 60.65 59.85 1rgr s ILE 88 Cb 0.19 -0.51 0.18 0.00 2.95 0.00 0.00 42.46 45.27 1rgr s ILE 88 CO 0.72 0.08 1.15 0.61 -1.79 0.00 0.00 174.94 175.71 1rgr n GLY 89 N 4.88 -0.89 0.07 6.27 0.00 -1.26 -3.78 105.19 110.48 1rgr n GLY 89 Ca -0.15 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.61 0.91 -3.22 1.61 8.00 -1.26 -4.86 116.55 117.12 1rgr n ASP 90 Ca 0.05 -0.96 -0.08 0.00 0.71 0.00 0.00 54.79 54.51 1rgr n ASP 90 Cb 0.02 0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 41.98 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 -2.38 -0.36 -0.64 -2.24 2.15 -1.25 -5.10 116.67 106.85 1rgr s ASP 91 Ca 0.07 -1.32 -0.26 0.00 0.43 0.00 0.00 52.55 51.48 1rgr s ASP 91 Cb 0.12 1.31 -0.08 0.00 -0.30 0.00 0.00 42.92 43.97 1rgr s ASP 91 CO 0.60 -0.19 2.28 -2.16 -0.17 0.00 0.00 175.17 175.53 1rgr s PRO 92 N 1.48 2.07 0.11 4.34 0.04 -1.26 -4.82 135.00 136.97 1rgr s PRO 92 Ca 0.19 0.85 -0.25 0.00 0.04 0.00 0.00 61.00 61.83 1rgr s PRO 92 Cb -0.08 -4.66 0.08 0.00 0.04 0.00 0.00 34.50 29.88 1rgr s PRO 92 CO -0.06 -3.56 0.66 0.45 0.04 0.00 0.00 177.00 174.54 1rgr s SER 93 N 10.78 -0.54 -0.28 6.66 0.15 -1.24 -3.18 113.70 126.06 1rgr s SER 93 Ca 0.89 0.05 -0.11 0.00 0.70 0.00 0.00 55.95 57.48 1rgr s SER 93 Cb -0.14 0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 64.68 1rgr s SER 93 CO 0.17 -0.88 0.21 -0.63 1.20 0.00 0.00 173.24 173.31 1rgr s ILE 94 N -3.44 5.30 0.09 6.45 -1.09 -1.20 -4.13 121.20 123.18 1rgr s ILE 94 Ca 0.01 0.21 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 1rgr s ILE 94 Cb -0.01 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1rgr s ILE 94 CO -0.11 0.24 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.42 1rgr s PHE 95 N 1.76 2.83 -0.41 3.97 0.40 -1.24 -1.81 117.98 123.49 1rgr s PHE 95 Ca 0.08 -0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.12 1rgr s PHE 95 Cb -0.16 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.91 1rgr s PHE 95 CO 0.11 0.44 0.51 0.42 0.70 0.00 0.00 175.22 177.39 1rgr s ILE 96 N -1.24 5.00 0.02 0.64 1.01 -1.25 -0.15 121.20 125.23 1rgr s ILE 96 Ca 0.23 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.90 1rgr s ILE 96 Cb -0.11 -4.06 -0.23 0.00 0.01 0.00 0.00 42.46 38.07 1rgr s ILE 96 CO 0.15 -0.41 0.90 0.74 0.00 0.00 0.00 174.94 176.32 1rgr h THR 97 N 5.74 1.19 -4.29 2.92 2.02 -1.83 0.76 112.91 119.43 1rgr h THR 97 Ca -0.27 -2.97 -0.16 0.00 0.77 0.00 0.00 66.41 63.79 1rgr h THR 97 Cb 1.11 2.62 -0.15 0.00 -1.74 0.00 0.00 68.15 69.99 1rgr h THR 97 CO 0.81 0.71 -0.59 -1.59 0.37 0.00 0.00 175.52 175.23 1rgr s LYS 98 N -2.64 0.90 -0.06 6.66 -2.85 -1.12 -4.76 119.74 115.87 1rgr s LYS 98 Ca -0.03 -1.34 0.04 0.00 -1.00 0.00 0.00 55.97 53.63 1rgr s LYS 98 Cb 0.09 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 1rgr s LYS 98 CO 0.83 -0.26 -0.16 -1.50 0.10 0.00 0.00 175.35 174.36 1rgr s ILE 99 N -4.00 2.87 -0.31 3.79 1.10 -1.26 -0.85 121.20 122.53 1rgr s ILE 99 Ca 0.19 -0.78 -0.26 0.00 -0.51 0.00 0.00 60.65 59.29 1rgr s ILE 99 Cb 0.07 -2.12 0.01 0.00 0.15 0.00 0.00 42.46 40.56 1rgr s ILE 99 CO -0.01 0.58 0.92 -0.63 -2.11 0.00 0.00 174.94 173.68 1rgr s ILE 100 N -0.45 4.67 0.51 2.00 1.09 -0.40 -4.84 121.20 123.79 1rgr s ILE 100 Ca 0.05 1.44 -0.22 0.00 -1.10 0.00 0.00 60.65 60.82 1rgr s ILE 100 Cb -0.12 -4.27 -0.06 0.00 -1.06 0.00 0.00 42.46 36.95 1rgr s ILE 100 CO 0.02 -0.35 1.31 -2.84 -0.10 0.00 0.00 174.94 172.98 1rgr s PRO 101 N 3.26 3.35 0.00 2.79 0.02 -1.26 -2.87 135.00 140.29 1rgr s PRO 101 Ca 0.38 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1rgr s PRO 101 Cb -0.13 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1rgr s PRO 101 CO 0.14 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 1rgr n GLY 102 N 0.65 2.97 0.00 0.52 0.00 -1.26 -5.04 105.19 103.03 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 -0.63 0.08 -0.02 0.00 -1.14 -4.83 105.19 96.66 1rgr n GLY 103 Ca 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.61 -0.08 -0.27 4.61 0.00 -1.43 -1.84 119.26 118.64 1rgr h ALA 104 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1rgr h ALA 104 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rgr h ALA 104 CO 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 179.25 179.10 1rgr h ALA 105 N 0.25 1.71 0.08 0.00 0.00 -1.77 -0.18 119.26 119.35 1rgr h ALA 105 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rgr h ALA 105 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rgr h ALA 105 CO 0.01 0.24 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 1rgr h ALA 106 N 1.77 -0.11 0.59 0.00 0.00 -1.74 0.32 119.26 120.09 1rgr h ALA 106 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1rgr h ALA 106 Cb 0.05 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rgr h ALA 106 CO -0.01 -0.36 -0.28 0.37 0.00 0.00 0.00 179.25 178.96 1rgr h GLN 107 N -0.51 -0.77 -0.53 0.00 -0.00 -1.27 -3.09 115.11 108.94 1rgr h GLN 107 Ca -0.01 0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.62 1rgr h GLN 107 Cb 0.43 0.17 -0.02 0.00 0.00 0.00 0.00 27.48 28.06 1rgr h GLN 107 CO 0.02 -0.51 0.04 -0.44 0.00 0.00 0.00 178.83 177.94 1rgr h ASP 108 N -0.99 0.83 0.00 -0.69 3.32 -1.22 -3.43 116.42 114.24 1rgr h ASP 108 Ca -0.08 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1rgr h ASP 108 Cb 0.61 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1rgr h ASP 108 CO 0.13 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 179.13 1rgr n GLY 109 N -0.66 0.05 3.45 2.75 0.00 -1.13 -5.04 105.19 104.60 1rgr n GLY 109 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1rgr n GLY 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rgr n ARG 110 N -2.86 -5.29 -0.01 1.61 0.63 0.11 -4.97 116.66 105.89 1rgr n ARG 110 Ca 0.00 0.80 0.14 0.00 -0.92 0.00 0.00 57.85 57.87 1rgr n ARG 110 Cb 0.00 -5.69 0.71 0.00 0.45 0.00 0.00 32.46 27.92 1rgr n ARG 110 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1rgr n LEU 111 N -3.97 0.66 -1.48 6.15 -0.00 -1.26 -5.01 117.00 112.09 1rgr n LEU 111 Ca -0.24 -0.23 0.00 0.00 -0.00 0.00 0.00 56.01 55.54 1rgr n LEU 111 Cb 0.66 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1rgr n LEU 111 CO 0.62 0.12 -0.37 0.54 -0.00 0.00 0.00 177.39 178.29 1rgr n ARG 112 N -0.46 -4.11 0.00 1.47 1.74 -1.26 -4.93 116.66 109.11 1rgr n ARG 112 Ca 0.20 2.97 0.00 0.00 -0.77 0.00 0.00 57.85 60.26 1rgr n ARG 112 Cb 0.21 -3.26 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 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 0.38 0.00 -0.56 1.55 0.24 -1.26 -4.27 118.33 114.41 1rgr n VAL 113 Ca 0.00 1.45 0.00 0.00 -2.04 0.00 0.00 64.34 63.75 1rgr n VAL 113 Cb 0.00 -2.12 0.00 0.00 -1.47 0.00 0.00 33.84 30.25 1rgr n VAL 113 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1rgr n ASN 114 N -2.46 -0.89 -0.80 -1.34 6.94 0.26 -4.34 115.26 112.64 1rgr n ASN 114 Ca 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 54.58 53.98 1rgr n ASN 114 Cb 0.00 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 1rgr n ASN 114 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1rgr n ASP 115 N 2.28 1.74 -3.31 0.53 5.68 -1.26 -5.00 116.55 117.21 1rgr n ASP 115 Ca 0.00 -0.43 -0.22 0.00 -0.50 0.00 0.00 54.79 53.65 1rgr n ASP 115 Cb 0.22 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.12 1rgr n ASP 115 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1rgr s SER 116 N 0.15 1.21 -0.31 -1.12 0.01 -1.10 -3.96 113.70 108.58 1rgr s SER 116 Ca 0.00 -2.36 -0.30 0.00 1.31 0.00 0.00 55.95 54.59 1rgr s SER 116 Cb 0.00 0.15 -0.08 0.00 0.21 0.00 0.00 66.02 66.30 1rgr s SER 116 CO 0.00 -0.20 2.25 2.30 0.41 0.00 0.00 173.24 178.00 1rgr n ILE 117 N 3.41 0.23 -0.12 1.44 -5.35 -0.75 -1.84 119.36 116.38 1rgr n ILE 117 Ca 0.21 -0.43 -0.18 0.00 -0.27 0.00 0.00 62.75 62.07 1rgr n ILE 117 Cb 0.46 -2.25 -0.11 0.00 -1.74 0.00 0.00 39.64 36.00 1rgr n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rgr n LEU 118 N 11.60 2.82 -4.18 7.28 -0.00 -0.30 -3.35 117.00 130.88 1rgr n LEU 118 Ca 0.35 -0.07 -0.23 0.00 -0.00 0.00 0.00 56.01 56.06 1rgr n LEU 118 Cb 0.38 -0.84 -0.14 0.00 -0.00 0.00 0.00 43.42 42.81 1rgr n LEU 118 CO 0.70 0.86 -0.49 -0.36 -0.00 0.00 0.00 177.39 178.11 1rgr s PHE 119 N -2.49 1.48 -0.21 1.47 0.40 -1.09 -1.00 117.98 116.54 1rgr s PHE 119 Ca -0.33 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 1rgr s PHE 119 Cb 0.09 -0.90 0.07 0.00 0.51 0.00 0.00 43.02 42.79 1rgr s PHE 119 CO 0.55 0.04 0.07 0.08 0.70 0.00 0.00 175.22 176.65 1rgr s VAL 120 N -0.69 0.31 0.00 -0.44 1.01 -0.83 -1.06 120.40 118.70 1rgr s VAL 120 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1rgr s VAL 120 Cb -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1rgr s VAL 120 CO 0.01 -0.33 0.00 0.59 0.00 0.00 0.00 175.10 175.37 1rgr n ASN 121 N 5.12 0.00 0.00 3.32 3.02 0.41 -2.18 115.26 124.95 1rgr n ASN 121 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1rgr n ASN 121 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.88 -2.19 3.52 4.07 -1.26 -4.99 120.64 120.66 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 -0.07 -0.03 0.00 -0.06 0.00 0.00 31.44 31.28 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 3.02 -0.56 6.31 1.01 -0.93 -5.01 120.40 124.25 1rgr s VAL 123 Ca 0.00 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 1rgr s VAL 123 Cb 0.00 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.89 1rgr s VAL 123 CO 0.00 0.18 0.63 1.51 0.00 0.00 0.00 175.10 177.42 1rgr s ASP 124 N -0.08 6.19 0.00 3.32 -4.77 -1.26 -1.97 116.67 118.09 1rgr s ASP 124 Ca 0.53 -1.43 0.00 0.00 -3.30 0.00 0.00 52.55 48.35 1rgr s ASP 124 Cb -0.38 -2.27 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 1rgr s ASP 124 CO 0.44 -1.00 0.00 1.33 0.70 0.00 0.00 175.17 176.64 1rgr n VAL 125 N 5.47 0.00 0.00 2.11 0.24 -0.17 -4.94 118.33 121.04 1rgr n VAL 125 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1rgr n VAL 125 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.74 7.34 1.85 -1.19 -3.70 116.66 119.21 1rgr n ARG 126 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1rgr n ARG 126 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 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 1.95 -3.96 2.89 2.13 -1.19 -3.24 120.64 119.22 1rgr n GLU 127 Ca 0.00 -2.36 -0.10 0.00 0.66 0.00 0.00 57.16 55.36 1rgr n GLU 127 Cb 0.00 -3.33 -0.06 0.00 0.27 0.00 0.00 31.44 28.32 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 6.72 0.04 -0.04 6.31 0.11 -1.24 -4.98 120.40 127.31 1rgr s VAL 128 Ca 0.59 -1.36 -0.34 0.00 -2.93 0.00 0.00 61.98 57.94 1rgr s VAL 128 Cb 0.08 -1.93 -0.13 0.00 -1.53 0.00 0.00 36.38 32.87 1rgr s VAL 128 CO 0.09 -0.19 1.80 0.41 -3.33 0.00 0.00 175.10 173.88 1rgr n THR 129 N -0.27 0.43 -0.27 5.04 -1.04 -1.26 -1.13 114.28 115.78 1rgr n THR 129 Ca -0.06 -0.08 0.30 0.00 -2.04 0.00 0.00 64.05 62.18 1rgr n THR 129 Cb 0.63 -1.74 0.69 0.00 -1.82 0.00 0.00 70.33 68.09 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 8.29 0.13 -0.83 -1.42 2.07 -1.90 -1.50 115.15 119.98 1rgr h HIS 130 Ca -0.48 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.08 1rgr h HIS 130 Cb 1.27 -0.04 -0.05 0.00 2.57 0.00 0.00 27.41 31.17 1rgr h HIS 130 CO 0.81 0.02 0.55 0.77 -3.07 0.00 0.00 177.93 177.01 1rgr h SER 131 N 0.08 0.90 -0.20 3.10 0.02 -1.98 0.66 113.55 116.12 1rgr h SER 131 Ca 0.52 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.33 1rgr h SER 131 Cb 1.90 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1rgr h SER 131 CO -0.06 0.62 -0.31 0.00 -1.14 0.00 0.00 176.83 175.94 1rgr h ALA 132 N 1.51 0.84 0.39 3.77 0.00 -1.66 -2.15 119.26 121.97 1rgr h ALA 132 Ca 0.33 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1rgr h ALA 132 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1rgr h ALA 132 CO -0.10 0.64 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 1rgr h ALA 133 N 1.06 -0.53 -0.79 0.00 0.00 -1.37 -0.77 119.26 116.86 1rgr h ALA 133 Ca 0.07 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1rgr h ALA 133 Cb 0.82 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 1rgr h ALA 133 CO 0.07 -0.72 0.38 -0.24 0.00 0.00 0.00 179.25 178.74 1rgr h VAL 134 N -0.69 0.73 -0.06 0.00 3.04 -1.01 0.31 116.25 118.58 1rgr h VAL 134 Ca -0.05 -0.19 0.02 0.00 -1.01 0.00 0.00 66.70 65.46 1rgr h VAL 134 Cb 0.49 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 29.87 1rgr h VAL 134 CO 0.09 0.10 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.63 1rgr h GLU 135 N 0.56 -0.05 -0.50 4.17 4.57 -1.38 -1.24 114.58 120.72 1rgr h GLU 135 Ca 0.42 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1rgr h GLU 135 Cb 0.59 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1rgr h GLU 135 CO -0.36 -0.03 0.24 0.00 -1.18 0.00 0.00 179.01 177.68 1rgr h ALA 136 N 1.00 1.49 0.00 2.92 0.00 -0.69 0.43 119.26 124.41 1rgr h ALA 136 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1rgr h ALA 136 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1rgr h ALA 136 CO -0.09 0.41 -0.17 -0.07 0.00 0.00 0.00 179.25 179.33 1rgr h LEU 137 N 0.69 -0.50 -0.76 0.00 4.07 -0.87 -1.86 115.31 116.08 1rgr h LEU 137 Ca 0.17 0.07 -0.13 0.00 0.08 0.00 0.00 57.88 58.07 1rgr h LEU 137 Cb 0.07 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1rgr h LEU 137 CO -0.02 -0.23 -0.57 0.11 -1.08 0.00 0.00 178.44 176.65 1rgr h LYS 138 N -0.28 0.16 -0.01 1.13 1.57 -1.01 -3.23 116.57 114.90 1rgr h LYS 138 Ca 0.05 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1rgr h LYS 138 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1rgr h LYS 138 CO -0.16 0.68 -0.35 1.49 -0.57 0.00 0.00 179.45 180.54 1rgr h GLU 139 N 0.12 0.02 -0.98 3.15 4.57 -0.16 -2.18 114.58 119.13 1rgr h GLU 139 Ca -0.00 -0.01 0.26 0.00 -1.18 0.00 0.00 59.36 58.43 1rgr h GLU 139 Cb 1.03 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.56 1rgr h GLU 139 CO 0.08 0.37 0.67 0.00 -1.18 0.00 0.00 179.01 178.96 1rgr h ALA 140 N 1.63 2.55 0.00 2.92 0.00 -1.35 -3.48 119.26 121.53 1rgr h ALA 140 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rgr h ALA 140 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rgr h ALA 140 CO 0.05 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.84 1rgr n GLY 141 N -1.60 1.07 0.01 0.00 0.00 -0.82 -3.34 105.19 100.51 1rgr n GLY 141 Ca 0.22 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 3.50 0.06 -3.44 1.61 7.64 -1.26 -4.19 113.62 117.54 1rgr n SER 142 Ca 0.00 0.51 -0.18 0.00 1.01 0.00 0.00 58.87 60.21 1rgr n SER 142 Cb 0.00 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.57 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 -3.02 -0.36 -0.28 0.44 -0.00 -1.21 -0.53 121.20 116.24 1rgr s ILE 143 Ca 0.09 -0.34 -0.23 0.00 -0.00 0.00 0.00 60.65 60.17 1rgr s ILE 143 Cb 0.13 -0.86 -0.00 0.00 -0.00 0.00 0.00 42.46 41.72 1rgr s ILE 143 CO 0.36 -0.37 0.76 0.68 -0.00 0.00 0.00 174.94 176.38 1rgr s VAL 144 N 2.34 4.84 -0.80 8.37 -7.23 -0.17 -4.73 120.40 123.02 1rgr s VAL 144 Ca 0.09 1.26 -0.15 0.00 -1.81 0.00 0.00 61.98 61.36 1rgr s VAL 144 Cb -0.15 -4.10 0.18 0.00 0.56 0.00 0.00 36.38 32.88 1rgr s VAL 144 CO -0.24 -0.15 0.81 -0.13 -0.31 0.00 0.00 175.10 175.07 1rgr s ARG 145 N 2.83 3.50 -0.02 4.82 0.52 -1.26 -1.20 118.95 128.15 1rgr s ARG 145 Ca 0.32 -2.17 -0.15 0.00 -0.52 0.00 0.00 55.73 53.21 1rgr s ARG 145 Cb -0.15 -4.50 -0.06 0.00 0.52 0.00 0.00 34.95 30.77 1rgr s ARG 145 CO 0.10 -1.41 0.41 -0.51 0.02 0.00 0.00 175.30 173.92 1rgr s LEU 146 N 0.98 4.45 -0.10 2.53 1.43 0.31 -0.44 118.68 127.84 1rgr s LEU 146 Ca 0.19 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1rgr s LEU 146 Cb -0.12 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.53 1rgr s LEU 146 CO -0.07 0.29 -0.06 -0.31 0.23 0.00 0.00 176.35 176.43 1rgr s TYR 147 N -0.86 1.32 -0.06 0.29 2.02 -0.22 -0.52 117.35 119.31 1rgr s TYR 147 Ca 0.24 -0.61 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1rgr s TYR 147 Cb -0.16 -1.13 0.02 0.00 -0.40 0.00 0.00 41.96 40.28 1rgr s TYR 147 CO 0.13 -0.46 -0.09 0.14 -1.57 0.00 0.00 175.55 173.70 1rgr s VAL 148 N 1.66 0.92 0.27 0.71 -7.23 -0.42 -1.14 120.40 115.17 1rgr s VAL 148 Ca 0.03 -0.35 -0.08 0.00 -1.81 0.00 0.00 61.98 59.78 1rgr s VAL 148 Cb -0.13 -0.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 1rgr s VAL 148 CO -0.07 0.31 0.58 0.00 -0.31 0.00 0.00 175.10 175.61 1rgr s MET 149 N 0.78 3.73 -0.18 4.82 0.23 -0.77 -0.86 119.30 127.04 1rgr s MET 149 Ca -0.13 0.19 -0.05 0.00 -1.03 0.00 0.00 55.69 54.67 1rgr s MET 149 Cb -0.15 -2.62 -0.03 0.00 -1.53 0.00 0.00 34.83 30.51 1rgr s MET 149 CO 0.02 0.23 -0.00 1.03 -2.03 0.00 0.00 175.02 174.27 1rgr s ARG 150 N -3.24 3.67 0.54 3.16 0.52 -1.21 -2.71 118.95 119.68 1rgr s ARG 150 Ca 0.46 -0.50 0.26 0.00 -0.52 0.00 0.00 55.73 55.43 1rgr s ARG 150 Cb -0.11 -3.04 1.52 0.00 0.52 0.00 0.00 34.95 33.84 1rgr s ARG 150 CO 0.26 0.11 2.14 0.00 0.02 0.00 0.00 175.30 177.83 1rgr h ARG 151 N 7.17 0.00 -4.43 3.54 -0.00 -1.96 -3.36 114.38 115.35 1rgr h ARG 151 Ca -0.34 0.00 -0.73 0.00 -0.50 0.00 0.00 59.98 58.41 1rgr h ARG 151 Cb 1.18 0.00 -0.22 0.00 0.00 0.00 0.00 29.97 30.94 1rgr h ARG 151 CO 0.62 0.07 -0.38 0.21 0.00 0.00 0.00 179.97 180.50 1rgr s LYS 152 N -4.51 2.98 0.81 0.04 2.20 -1.26 -5.12 119.74 114.88 1rgr s LYS 152 Ca -0.04 -1.16 -0.11 0.00 -0.36 0.00 0.00 55.97 54.30 1rgr s LYS 152 Cb 0.15 -4.05 0.08 0.00 -1.51 0.00 0.00 37.83 32.50 1rgr s LYS 152 CO 0.59 -0.88 1.12 -2.14 -0.36 0.00 0.00 175.35 173.68 1rgr s PRO 153 N 1.68 1.88 0.00 4.03 0.02 -1.26 -5.11 135.00 136.24 1rgr s PRO 153 Ca 0.05 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.41 1rgr s PRO 153 Cb -0.21 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1rgr s PRO 153 CO 0.09 -1.96 0.38 -2.30 -0.33 0.00 0.00 177.00 172.88