#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pju s THR 4 N -1.53 3.03 -1.92 0.00 -4.23 -1.26 -4.96 115.64 104.78 1pju s THR 4 Ca 0.37 0.34 0.28 0.00 -1.18 0.00 0.00 61.69 61.50 1pju s THR 4 Cb -0.13 -3.24 0.77 0.00 1.34 0.00 0.00 72.50 71.24 1pju s THR 4 CO 0.20 -0.44 2.03 0.54 -0.54 0.00 0.00 174.62 176.42 1pju n ARG 5 N -3.23 0.82 -1.48 3.99 1.74 -1.26 -4.91 116.66 112.33 1pju n ARG 5 Ca 0.07 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.70 1pju n ARG 5 Cb 0.58 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 1pju n ARG 5 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pju n GLU 6 N -1.04 0.64 -3.62 5.56 1.02 -1.26 -4.97 120.64 116.96 1pju n GLU 6 Ca 0.20 0.23 -0.38 0.00 -0.02 0.00 0.00 57.16 57.18 1pju n GLU 6 Cb 0.12 -1.42 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 1pju n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pju s GLY 8 N 1.68 1.64 -0.31 0.00 0.00 0.64 -5.00 107.32 105.97 1pju s GLY 8 Ca 0.06 -0.22 0.09 0.00 0.00 0.00 0.00 44.72 44.65 1pju s GLY 8 CO 0.08 0.11 1.17 -2.01 0.00 0.00 0.00 173.10 172.44 1pju n ASN 9 N -2.90 4.46 -4.83 1.64 2.85 -1.26 -4.46 115.26 110.76 1pju n ASN 9 Ca 0.07 -3.54 -0.30 0.00 -0.11 0.00 0.00 54.58 50.70 1pju n ASN 9 Cb 0.56 -0.38 0.07 0.00 1.24 0.00 0.00 39.78 41.27 1pju n ASN 9 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1pju s LEU 10 N -3.60 2.76 -0.23 1.20 1.43 -1.26 -4.21 118.68 114.76 1pju s LEU 10 Ca 0.47 1.31 -0.16 0.00 -1.03 0.00 0.00 54.13 54.72 1pju s LEU 10 Cb 0.40 -4.01 -0.12 0.00 0.03 0.00 0.00 46.19 42.49 1pju s LEU 10 CO -0.00 -1.72 -0.19 0.61 0.23 0.00 0.00 176.35 175.27 1pju n GLY 11 N -2.31 -0.62 3.49 -3.19 0.00 0.47 -4.56 105.19 98.46 1pju n GLY 11 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1pju n GLY 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pju s PHE 12 N -2.52 -0.41 -0.02 1.61 -0.71 -1.13 -4.20 117.98 110.60 1pju s PHE 12 Ca -0.32 0.23 0.03 0.00 -1.04 0.00 0.00 56.93 55.83 1pju s PHE 12 Cb 0.09 0.55 -0.00 0.00 -1.21 0.00 0.00 43.02 42.46 1pju s PHE 12 CO 0.48 -0.69 -0.11 0.20 -1.34 0.00 0.00 175.22 173.76 1pju s GLY 13 N -2.61 0.59 -0.08 1.99 0.00 0.07 -0.79 107.32 106.49 1pju s GLY 13 Ca 0.04 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.34 1pju s GLY 13 CO -0.10 -0.24 -0.12 -0.26 0.00 0.00 0.00 173.10 172.38 1pju s ILE 14 N 0.01 3.20 -0.33 0.90 -4.36 -0.54 -0.23 121.20 119.85 1pju s ILE 14 Ca -0.00 -0.65 0.01 0.00 -0.26 0.00 0.00 60.65 59.74 1pju s ILE 14 Cb -0.07 -2.30 0.10 0.00 1.25 0.00 0.00 42.46 41.44 1pju s ILE 14 CO 0.00 0.57 0.10 0.00 0.24 0.00 0.00 174.94 175.85 1pju n PRO 16 N 4.59 2.79 -3.79 0.00 -0.02 -1.24 -4.31 135.00 133.02 1pju n PRO 16 Ca 0.00 1.02 -0.13 0.00 -2.02 0.00 0.00 63.50 62.38 1pju n PRO 16 Cb 0.41 -2.93 -0.10 0.00 -0.02 0.00 0.00 33.50 30.86 1pju n PRO 16 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pju s ARG 17 N 3.31 0.47 0.12 -0.52 3.00 -1.26 -4.58 118.95 119.49 1pju s ARG 17 Ca 0.85 0.02 -0.34 0.00 0.00 0.00 0.00 55.73 56.25 1pju s ARG 17 Cb -0.48 0.21 -0.14 0.00 0.00 0.00 0.00 34.95 34.55 1pju s ARG 17 CO 0.39 -0.10 1.59 0.43 0.00 0.00 0.00 175.30 177.61 1pju n SER 18 N 2.05 2.99 -4.01 0.23 7.64 -1.06 -4.75 113.62 116.71 1pju n SER 18 Ca -0.18 1.07 -0.12 0.00 1.01 0.00 0.00 58.87 60.65 1pju n SER 18 Cb 0.57 -1.40 -0.12 0.00 -1.01 0.00 0.00 64.21 62.25 1pju n SER 18 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1pju s GLU 19 N 1.26 0.40 0.00 1.43 0.41 -1.07 -4.91 118.70 116.23 1pju s GLU 19 Ca 0.81 -0.58 0.00 0.00 -0.41 0.00 0.00 54.97 54.79 1pju s GLU 19 Cb -0.71 -0.16 0.00 0.00 -1.78 0.00 0.00 34.13 31.48 1pju s GLU 19 CO 0.41 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.61 1pju n GLY 20 N 1.82 -0.12 3.36 -1.39 0.00 -1.26 -0.84 105.19 106.76 1pju n GLY 20 Ca -0.21 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 1pju n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pju s SER 21 N -2.22 -0.37 0.54 1.61 1.04 -0.78 -4.77 113.70 108.76 1pju s SER 21 Ca 0.00 -0.10 0.34 0.00 0.48 0.00 0.00 55.95 56.67 1pju s SER 21 Cb 0.00 0.51 1.85 0.00 0.10 0.00 0.00 66.02 68.48 1pju s SER 21 CO 0.00 -0.84 2.03 -0.65 0.98 0.00 0.00 173.24 174.76 1pju h PRO 22 N 2.41 0.00 0.04 4.02 0.11 -1.86 -1.87 132.00 134.85 1pju h PRO 22 Ca -0.33 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.44 1pju h PRO 22 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1pju h PRO 22 CO 0.43 0.00 -2.03 1.28 -0.21 0.00 0.00 178.00 177.47 1pju n LEU 23 N -2.74 1.63 -3.69 2.35 4.32 -1.26 -4.68 117.00 112.94 1pju n LEU 23 Ca -0.02 0.20 -0.28 0.00 -0.02 0.00 0.00 56.01 55.89 1pju n LEU 23 Cb 0.11 -0.37 -0.11 0.00 -1.62 0.00 0.00 43.42 41.43 1pju n LEU 23 CO 0.15 0.64 -0.16 0.21 -1.22 0.00 0.00 177.39 177.01 1pju s ASN 24 N -6.38 3.40 0.66 -1.43 3.84 -0.77 -5.13 114.94 109.14 1pju s ASN 24 Ca -0.16 -3.46 -0.15 0.00 0.21 0.00 0.00 52.86 49.30 1pju s ASN 24 Cb 0.07 -1.12 -0.00 0.00 -0.55 0.00 0.00 41.25 39.65 1pju s ASN 24 CO 0.77 -0.13 1.10 -2.16 -2.79 0.00 0.00 177.10 173.89 1pju s PRO 25 N -0.74 2.86 0.18 0.43 0.04 -0.82 -1.86 135.00 135.09 1pju s PRO 25 Ca 0.27 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1pju s PRO 25 Cb -0.03 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1pju s PRO 25 CO -0.17 -1.20 0.30 0.96 0.04 0.00 0.00 177.00 176.94 1pju s ILE 26 N -2.42 5.27 -0.29 0.56 -4.36 0.34 -4.87 121.20 115.42 1pju s ILE 26 Ca 0.66 -0.80 -0.17 0.00 -0.26 0.00 0.00 60.65 60.08 1pju s ILE 26 Cb -0.19 -3.76 -0.02 0.00 1.25 0.00 0.00 42.46 39.73 1pju s ILE 26 CO 0.42 -0.17 0.46 0.00 0.24 0.00 0.00 174.94 175.89 1pju s ILE 28 N 2.23 0.00 0.23 0.00 1.10 -1.26 -4.99 121.20 118.51 1pju s ILE 28 Ca 0.18 -0.29 -0.02 0.00 -0.51 0.00 0.00 60.65 60.01 1pju s ILE 28 Cb -0.16 -1.44 -0.03 0.00 0.15 0.00 0.00 42.46 40.98 1pju s ILE 28 CO 0.11 0.00 0.21 0.54 -2.11 0.00 0.00 174.94 173.68 1pju s ASN 29 N -2.69 0.32 0.29 4.50 2.20 -1.26 -1.45 114.94 116.85 1pju s ASN 29 Ca 0.08 -1.38 -0.02 0.00 -0.94 0.00 0.00 52.86 50.61 1pju s ASN 29 Cb -0.01 0.44 0.43 0.00 -2.00 0.00 0.00 41.25 40.10 1pju s ASN 29 CO -0.04 -0.92 1.90 0.00 -2.94 0.00 0.00 177.10 175.10 1pju n SER 32 N -5.21 0.70 -4.75 0.00 3.41 -1.08 -3.60 113.62 103.10 1pju n SER 32 Ca -0.05 0.14 -0.31 0.00 -0.26 0.00 0.00 58.87 58.39 1pju n SER 32 Cb 0.14 0.58 0.10 0.00 -0.26 0.00 0.00 64.21 64.77 1pju n SER 32 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pju s GLY 33 N -4.07 1.75 0.05 5.00 0.00 0.24 -4.72 107.32 105.57 1pju s GLY 33 Ca 0.01 0.38 -0.14 0.00 0.00 0.00 0.00 44.72 44.97 1pju s GLY 33 CO 0.79 0.75 0.45 -0.19 0.00 0.00 0.00 173.10 174.90 1pju s TYR 34 N -2.77 3.69 0.27 1.90 2.02 -1.26 -1.31 117.35 119.88 1pju s TYR 34 Ca 0.63 1.00 -0.30 0.00 -0.37 0.00 0.00 57.07 58.03 1pju s TYR 34 Cb -0.19 -2.30 -0.13 0.00 -0.40 0.00 0.00 41.96 38.93 1pju s TYR 34 CO 0.55 0.57 1.29 1.63 -1.57 0.00 0.00 175.55 178.02 1pju n LYS 35 N 1.43 1.89 -0.24 -0.62 5.02 -0.52 -1.64 118.16 123.48 1pju n LYS 35 Ca -0.11 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1pju n LYS 35 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1pju n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pju n GLY 36 N 1.61 1.39 3.59 0.72 0.00 -1.26 -4.91 105.19 106.32 1pju n GLY 36 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1pju n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pju s ASN 38 N -0.95 6.30 -0.08 0.00 0.01 0.21 -1.96 114.94 118.47 1pju s ASN 38 Ca 0.13 0.40 0.05 0.00 -0.71 0.00 0.00 52.86 52.73 1pju s ASN 38 Cb -0.11 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1pju s ASN 38 CO 0.03 0.35 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.41 1pju s TYR 39 N -1.14 2.46 0.13 2.20 1.51 0.10 0.23 117.35 122.84 1pju s TYR 39 Ca 0.20 -0.86 0.05 0.00 -1.01 0.00 0.00 57.07 55.44 1pju s TYR 39 Cb -0.12 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1pju s TYR 39 CO 0.10 -0.31 -0.12 0.71 -1.11 0.00 0.00 175.55 174.82 1pju s TYR 40 N 0.07 1.28 0.89 2.71 2.02 0.02 -0.75 117.35 123.59 1pju s TYR 40 Ca -0.11 -0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 55.84 1pju s TYR 40 Cb -0.16 -0.67 0.18 0.00 -0.40 0.00 0.00 41.96 40.92 1pju s TYR 40 CO 0.06 0.10 1.22 0.54 -1.57 0.00 0.00 175.55 175.90 1pju s ASN 41 N -2.73 3.48 0.31 2.29 2.20 -0.38 0.38 114.94 120.48 1pju s ASN 41 Ca 0.11 0.02 0.24 0.00 -0.94 0.00 0.00 52.86 52.29 1pju s ASN 41 Cb -0.02 -0.15 1.13 0.00 -2.00 0.00 0.00 41.25 40.21 1pju s ASN 41 CO 0.02 -2.47 1.71 0.77 -2.94 0.00 0.00 177.10 174.19 1pju h SER 42 N -1.29 0.00 -0.42 3.54 4.64 -1.91 -0.64 113.55 117.48 1pju h SER 42 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1pju h SER 42 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pju h SER 42 CO 0.38 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.83 1pju n PHE 43 N -2.30 0.80 -1.01 4.77 3.72 -1.26 -4.67 117.46 117.51 1pju n PHE 43 Ca 0.00 -0.60 -0.00 0.00 -0.05 0.00 0.00 57.45 56.80 1pju n PHE 43 Cb 0.13 -0.12 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1pju n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pju n GLY 44 N 0.52 0.45 3.72 1.37 0.00 -0.25 -5.02 105.19 105.99 1pju n GLY 44 Ca 0.17 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1pju n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pju s LYS 45 N -1.16 4.47 -0.03 1.61 2.20 -1.26 -4.80 119.74 120.77 1pju s LYS 45 Ca 0.00 1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 57.06 1pju s LYS 45 Cb 0.00 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1pju s LYS 45 CO 0.00 -0.18 1.39 0.12 -0.36 0.00 0.00 175.35 176.32 1pju s PHE 46 N 0.78 2.80 -0.27 4.03 5.36 -1.26 -1.25 117.98 128.17 1pju s PHE 46 Ca 0.56 0.81 -0.15 0.00 -0.96 0.00 0.00 56.93 57.20 1pju s PHE 46 Cb -0.29 -3.65 -0.12 0.00 -0.34 0.00 0.00 43.02 38.62 1pju s PHE 46 CO 0.31 -2.40 -0.34 -0.89 -1.46 0.00 0.00 175.22 170.44 1pju n ILE 47 N 4.81 1.53 -3.56 3.12 2.08 0.07 -4.95 119.36 122.46 1pju n ILE 47 Ca 0.13 -0.34 -0.08 0.00 0.56 0.00 0.00 62.75 63.03 1pju n ILE 47 Cb 0.44 -1.92 -0.03 0.00 -0.75 0.00 0.00 39.64 37.38 1pju n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pju s GLU 49 N -2.27 4.78 0.69 0.00 2.12 -1.26 -0.73 118.70 122.03 1pju s GLU 49 Ca 0.05 1.59 -0.17 0.00 0.36 0.00 0.00 54.97 56.80 1pju s GLU 49 Cb -0.01 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1pju s GLU 49 CO -0.05 0.41 1.13 0.41 -0.54 0.00 0.00 175.26 176.62 1pju n GLY 50 N 1.43 0.02 0.11 -1.50 0.00 -0.83 -4.94 105.19 99.49 1pju n GLY 50 Ca -0.02 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1pju n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pju n GLU 51 N -1.98 1.64 -3.34 1.61 1.02 -0.36 -3.01 120.64 116.22 1pju n GLU 51 Ca 0.14 -0.24 -0.40 0.00 -0.02 0.00 0.00 57.16 56.64 1pju n GLU 51 Cb 0.49 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.55 1pju n GLU 51 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pju s SER 52 N -2.37 6.27 -0.16 1.62 0.15 -0.43 -4.70 113.70 114.08 1pju s SER 52 Ca 0.08 0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.56 1pju s SER 52 Cb 0.13 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1pju s SER 52 CO 0.60 -0.30 1.49 -0.62 1.20 0.00 0.00 173.24 175.60 1pju s ASP 53 N 1.68 6.67 0.59 5.45 -1.08 -1.26 -1.43 116.67 127.28 1pju s ASP 53 Ca 0.16 1.79 0.29 0.00 -0.52 0.00 0.00 52.55 54.26 1pju s ASP 53 Cb -0.16 -2.53 1.77 0.00 -1.46 0.00 0.00 42.92 40.53 1pju s ASP 53 CO 0.11 -0.99 2.22 1.55 0.52 0.00 0.00 175.17 178.59 1pju h PRO 54 N 9.45 0.00 0.00 4.34 0.13 -1.96 -0.29 132.00 143.67 1pju h PRO 54 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1pju h PRO 54 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1pju h PRO 54 CO 0.98 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.62 1pju h LYS 55 N 0.00 0.00 -0.25 0.86 1.57 -1.96 -3.40 116.57 113.39 1pju h LYS 55 Ca 0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.59 1pju h LYS 55 Cb 0.09 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.25 1pju h LYS 55 CO -0.00 0.00 -0.50 -2.13 -0.57 0.00 0.00 179.45 176.25 1pju n ARG 56 N -2.90 0.73 -1.64 3.15 0.63 -0.45 -4.65 116.66 111.52 1pju n ARG 56 Ca 0.04 -1.82 -0.33 0.00 -0.92 0.00 0.00 57.85 54.82 1pju n ARG 56 Cb 0.50 -1.47 0.06 0.00 0.45 0.00 0.00 32.46 32.01 1pju n ARG 56 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1pju s PRO 57 N 0.71 2.62 0.57 -0.14 0.02 -0.25 -4.26 135.00 134.27 1pju s PRO 57 Ca 0.32 1.43 -0.19 0.00 0.02 0.00 0.00 61.00 62.58 1pju s PRO 57 Cb 0.18 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 1pju s PRO 57 CO -0.21 -1.40 1.17 -0.80 -0.33 0.00 0.00 177.00 175.43 1pju s ASN 58 N -2.57 5.42 -0.15 2.53 0.01 -1.26 -4.92 114.94 113.99 1pju s ASN 58 Ca 0.67 2.28 -0.22 0.00 -0.71 0.00 0.00 52.86 54.89 1pju s ASN 58 Cb -0.21 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.83 1pju s ASN 58 CO 0.44 -1.43 0.67 0.00 -1.51 0.00 0.00 177.10 175.26 1pju s ALA 59 N -1.70 3.47 0.01 0.60 0.00 -1.26 -4.95 121.76 117.94 1pju s ALA 59 Ca 0.75 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1pju s ALA 59 Cb -0.27 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1pju s ALA 59 CO 0.31 -0.39 -0.10 0.00 0.00 0.00 0.00 175.76 175.58 1pju s THR 61 N -0.53 3.43 0.07 0.00 2.01 -1.26 -4.91 115.64 114.46 1pju s THR 61 Ca 0.01 0.83 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1pju s THR 61 Cb -0.05 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 1pju s THR 61 CO 0.00 -0.00 1.86 0.12 -0.69 0.00 0.00 174.62 175.91 1pju s PHE 62 N 2.55 1.81 0.23 4.92 5.36 -1.26 -4.97 117.98 126.62 1pju s PHE 62 Ca 0.68 -0.16 -0.20 0.00 -0.96 0.00 0.00 56.93 56.29 1pju s PHE 62 Cb -0.35 -4.18 0.03 0.00 -0.34 0.00 0.00 43.02 38.19 1pju s PHE 62 CO 0.29 -5.02 0.63 0.54 -1.46 0.00 0.00 175.22 170.19 1pju s ASN 63 N 3.42 -0.33 -0.27 6.13 2.20 -1.26 -5.13 114.94 119.69 1pju s ASN 63 Ca 0.83 -0.44 -0.04 0.00 -0.94 0.00 0.00 52.86 52.27 1pju s ASN 63 Cb -0.43 0.65 0.02 0.00 -2.00 0.00 0.00 41.25 39.48 1pju s ASN 63 CO 0.38 -1.16 0.00 0.00 -2.94 0.00 0.00 177.10 173.38 1pju s ASP 65 N 1.40 6.45 0.58 0.00 -1.08 -0.53 -4.88 116.67 118.61 1pju s ASP 65 Ca 0.01 1.96 0.38 0.00 -0.52 0.00 0.00 52.55 54.38 1pju s ASP 65 Cb -0.17 -2.53 1.89 0.00 -1.46 0.00 0.00 42.92 40.65 1pju s ASP 65 CO -0.01 -1.15 2.15 -0.65 0.52 0.00 0.00 175.17 176.03 1pju h PRO 66 N 10.48 0.00 -0.03 4.34 0.11 -1.97 -1.88 132.00 143.04 1pju h PRO 66 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pju h PRO 66 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pju h PRO 66 CO 0.97 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.85 1pju n ASN 67 N -2.97 0.68 -4.18 -2.05 3.02 -1.26 -4.77 115.26 103.73 1pju n ASN 67 Ca -0.01 -1.36 -0.34 0.00 -0.03 0.00 0.00 54.58 52.84 1pju n ASN 67 Cb 0.16 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.15 1pju n ASN 67 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pju s ILE 68 N -1.96 2.45 -0.18 2.41 1.01 -0.71 -2.95 121.20 121.27 1pju s ILE 68 Ca 0.38 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 60.31 1pju s ILE 68 Cb 0.19 -2.06 -0.18 0.00 0.01 0.00 0.00 42.46 40.42 1pju s ILE 68 CO 0.30 0.51 -0.04 0.00 0.00 0.00 0.00 174.94 175.71 1pju n ALA 69 N 4.63 1.57 -3.13 9.38 0.00 0.16 -4.52 120.51 128.60 1pju n ALA 69 Ca -0.20 -1.02 -0.10 0.00 0.00 0.00 0.00 53.44 52.11 1pju n ALA 69 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 1pju n ALA 69 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1pju s TYR 70 N -2.41 -0.20 0.11 0.00 1.13 -1.08 -0.51 117.35 114.40 1pju s TYR 70 Ca -0.16 -0.11 0.09 0.00 -1.41 0.00 0.00 57.07 55.48 1pju s TYR 70 Cb 0.06 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 1pju s TYR 70 CO 0.60 -0.78 -0.22 -1.54 -2.51 0.00 0.00 175.55 171.10 1pju s SER 71 N -2.82 2.72 -0.18 -0.18 1.04 -0.02 -0.80 113.70 113.47 1pju s SER 71 Ca 0.05 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1pju s SER 71 Cb 0.01 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.01 1pju s SER 71 CO -0.09 0.08 -0.07 -0.13 0.98 0.00 0.00 173.24 174.00 1pju s ARG 72 N -2.00 1.68 0.32 4.02 3.00 0.14 -2.58 118.95 123.53 1pju s ARG 72 Ca 0.09 -0.63 0.09 0.00 0.00 0.00 0.00 55.73 55.27 1pju s ARG 72 Cb -0.10 -2.15 -0.05 0.00 0.00 0.00 0.00 34.95 32.65 1pju s ARG 72 CO 0.05 -0.42 0.04 0.00 0.00 0.00 0.00 175.30 174.96 1pju h PRO 74 N 1.77 0.79 -6.40 0.00 0.11 -1.89 -3.41 132.00 122.97 1pju h PRO 74 Ca -0.43 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 64.96 1pju h PRO 74 Cb 1.25 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 1pju h PRO 74 CO 0.64 0.53 -0.71 1.03 -0.21 0.00 0.00 178.00 179.28 1pju s ARG 75 N -5.74 2.40 0.00 1.05 0.52 -1.26 -5.01 118.95 110.90 1pju s ARG 75 Ca -0.10 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1pju s ARG 75 Cb 0.20 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1pju s ARG 75 CO 0.78 0.55 0.45 -1.13 0.02 0.00 0.00 175.30 175.97 1pju n SER 76 N 0.99 0.74 -4.44 0.23 3.41 -1.26 -2.56 113.62 110.72 1pju n SER 76 Ca -0.13 -1.19 -0.35 0.00 -0.26 0.00 0.00 58.87 56.94 1pju n SER 76 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1pju n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pju s GLN 77 N -0.19 3.59 0.00 4.33 0.00 -1.26 -4.63 119.66 121.50 1pju s GLN 77 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 55.36 54.82 1pju s GLN 77 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 33.01 29.99 1pju s GLN 77 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 175.29 175.74 1pju n GLY 78 N 4.13 -0.71 3.78 2.60 0.00 -1.26 -5.01 105.19 108.72 1pju n GLY 78 Ca -0.17 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.27 1pju n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pju s LYS 79 N -0.14 4.56 0.18 1.61 1.02 -1.26 -4.96 119.74 120.74 1pju s LYS 79 Ca 0.00 1.29 0.26 0.00 0.02 0.00 0.00 55.97 57.54 1pju s LYS 79 Cb 0.00 -2.81 0.72 0.00 -0.52 0.00 0.00 37.83 35.22 1pju s LYS 79 CO 0.00 0.29 1.68 -1.13 -0.92 0.00 0.00 175.35 175.27 1pju n SER 80 N 0.59 0.75 -3.76 2.83 3.41 -1.26 -4.56 113.62 111.61 1pju n SER 80 Ca 0.02 0.46 -0.14 0.00 -0.26 0.00 0.00 58.87 58.95 1pju n SER 80 Cb 0.50 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.75 1pju n SER 80 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pju s LEU 81 N -4.37 0.86 -0.23 1.04 2.96 -1.26 -0.53 118.68 117.15 1pju s LEU 81 Ca 0.10 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1pju s LEU 81 Cb 0.13 0.25 0.04 0.00 0.50 0.00 0.00 46.19 47.12 1pju s LEU 81 CO 0.62 -0.14 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.76 1pju s ILE 82 N 1.09 2.29 -0.30 6.68 1.01 0.68 -5.00 121.20 127.65 1pju s ILE 82 Ca -0.09 -1.31 -0.11 0.00 0.00 0.00 0.00 60.65 59.14 1pju s ILE 82 Cb -0.11 -2.20 0.15 0.00 0.01 0.00 0.00 42.46 40.31 1pju s ILE 82 CO -0.05 0.18 0.80 -0.47 0.00 0.00 0.00 174.94 175.40 1pju s TYR 83 N 1.20 -1.07 0.23 3.97 5.04 -1.26 -0.75 117.35 124.72 1pju s TYR 83 Ca -0.03 1.75 -0.04 0.00 -2.44 0.00 0.00 57.07 56.32 1pju s TYR 83 Cb -0.17 0.60 0.05 0.00 0.35 0.00 0.00 41.96 42.79 1pju s TYR 83 CO -0.07 -0.54 0.31 -0.35 -1.34 0.00 0.00 175.55 173.56 1pju n PRO 84 N 5.26 -0.24 -0.00 4.97 -0.05 -1.26 -5.10 135.00 138.57 1pju n PRO 84 Ca -0.10 -0.51 0.08 0.00 -0.05 0.00 0.00 63.50 62.92 1pju n PRO 84 Cb 0.51 -0.31 -0.11 0.00 -0.05 0.00 0.00 33.50 33.54 1pju n PRO 84 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1pju n THR 85 N -2.38 0.00 0.00 0.52 -2.24 -1.26 -4.98 114.28 103.94 1pju n THR 85 Ca 0.04 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1pju n THR 85 Cb 0.14 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1pju n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pju n GLY 86 N 1.44 3.55 0.07 3.38 0.00 -1.26 -2.15 105.19 110.22 1pju n GLY 86 Ca 0.01 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1pju n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pju n THR 88 N -1.05 0.18 -4.24 0.00 -1.04 -0.91 -0.26 114.28 106.96 1pju n THR 88 Ca 0.15 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.05 61.86 1pju n THR 88 Cb 0.25 -0.43 -0.08 0.00 -1.82 0.00 0.00 70.33 68.25 1pju n THR 88 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1pju s THR 89 N 0.14 2.18 0.41 12.58 -4.23 -1.26 -3.74 115.64 121.73 1pju s THR 89 Ca 0.85 -1.76 0.22 0.00 -1.18 0.00 0.00 61.69 59.82 1pju s THR 89 Cb -1.08 -2.94 0.42 0.00 1.34 0.00 0.00 72.50 70.24 1pju s THR 89 CO 0.52 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.34 1pju h THR 92 N -0.69 0.00 -4.16 0.00 1.35 -1.81 -2.90 112.91 104.70 1pju h THR 92 Ca -0.02 -0.69 -0.53 0.00 -0.55 0.00 0.00 66.41 64.61 1pju h THR 92 Cb 0.99 1.67 0.15 0.00 -1.73 0.00 0.00 68.15 69.22 1pju h THR 92 CO 0.03 0.00 0.41 -0.83 -0.25 0.00 0.00 175.52 174.88 1pju s GLY 93 N -3.89 2.42 0.20 5.82 0.00 0.13 -4.71 107.32 107.28 1pju s GLY 93 Ca 0.08 0.89 -0.16 0.00 0.00 0.00 0.00 44.72 45.53 1pju s GLY 93 CO 0.61 1.29 0.63 -0.19 0.00 0.00 0.00 173.10 175.44 1pju s TYR 94 N -1.93 3.59 0.63 1.90 2.02 -1.26 -0.63 117.35 121.68 1pju s TYR 94 Ca 0.75 1.18 -0.18 0.00 -0.37 0.00 0.00 57.07 58.45 1pju s TYR 94 Cb -0.29 -2.47 -0.02 0.00 -0.40 0.00 0.00 41.96 38.78 1pju s TYR 94 CO 0.43 0.35 1.26 -1.59 -1.57 0.00 0.00 175.55 174.43 1pju s LYS 95 N -2.12 2.67 -0.13 -0.62 -2.85 -0.11 -2.04 119.74 114.55 1pju s LYS 95 Ca 0.42 1.97 0.00 0.00 -1.00 0.00 0.00 55.97 57.36 1pju s LYS 95 Cb -0.15 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 1pju s LYS 95 CO 0.20 -1.48 0.00 0.41 0.10 0.00 0.00 175.35 174.58 1pju n GLY 96 N 0.75 0.45 3.15 0.59 0.00 -1.26 -4.89 105.19 103.97 1pju n GLY 96 Ca 0.15 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1pju n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pju s TYR 98 N 0.29 3.12 -0.15 0.00 1.51 -0.07 -1.44 117.35 120.60 1pju s TYR 98 Ca -0.12 -1.49 -0.07 0.00 -1.01 0.00 0.00 57.07 54.38 1pju s TYR 98 Cb -0.15 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1pju s TYR 98 CO 0.05 -0.71 0.10 0.71 -1.11 0.00 0.00 175.55 174.59 1pju s TYR 99 N 1.35 3.41 0.08 2.71 2.02 0.17 -1.47 117.35 125.63 1pju s TYR 99 Ca -0.00 0.33 0.09 0.00 -0.37 0.00 0.00 57.07 57.11 1pju s TYR 99 Cb -0.17 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1pju s TYR 99 CO -0.02 0.45 -0.20 -0.06 -1.57 0.00 0.00 175.55 174.14 1pju s PHE 100 N -0.30 2.49 1.01 2.71 0.40 0.02 -0.59 117.98 123.71 1pju s PHE 100 Ca 0.10 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.99 1pju s PHE 100 Cb -0.12 -1.38 0.19 0.00 0.51 0.00 0.00 43.02 42.23 1pju s PHE 100 CO 0.01 0.30 1.15 0.20 0.70 0.00 0.00 175.22 177.58 1pju s GLY 101 N -1.78 1.60 0.61 4.36 0.00 0.20 -0.40 107.32 111.92 1pju s GLY 101 Ca 0.15 -0.69 0.34 0.00 0.00 0.00 0.00 44.72 44.52 1pju s GLY 101 CO 0.07 -0.01 2.29 0.50 0.00 0.00 0.00 173.10 175.94 1pju h LYS 102 N -1.87 0.00 -0.12 2.90 1.79 -1.83 -0.96 116.57 116.48 1pju h LYS 102 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1pju h LYS 102 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1pju h LYS 102 CO 0.51 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.49 1pju n ASP 103 N -3.63 0.84 0.00 0.86 5.75 -1.26 -4.89 116.55 114.21 1pju n ASP 103 Ca -0.03 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1pju n ASP 103 Cb 0.08 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1pju n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pju n GLY 104 N 0.86 0.51 3.81 6.12 0.00 -0.36 -5.02 105.19 111.12 1pju n GLY 104 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1pju n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pju s LYS 105 N -0.25 4.11 0.27 1.61 2.36 -1.26 -4.80 119.74 121.78 1pju s LYS 105 Ca 0.00 0.61 -0.30 0.00 -2.55 0.00 0.00 55.97 53.73 1pju s LYS 105 Cb 0.00 -3.24 -0.10 0.00 -1.05 0.00 0.00 37.83 33.44 1pju s LYS 105 CO 0.00 0.63 1.41 0.12 1.55 0.00 0.00 175.35 179.06 1pju s PHE 106 N -1.00 3.01 -0.02 4.03 5.36 -1.26 0.61 117.98 128.71 1pju s PHE 106 Ca 0.27 1.13 -0.06 0.00 -0.96 0.00 0.00 56.93 57.30 1pju s PHE 106 Cb -0.18 -3.79 -0.03 0.00 -0.34 0.00 0.00 43.02 38.68 1pju s PHE 106 CO 0.17 -2.48 -0.13 0.28 -1.46 0.00 0.00 175.22 171.60 1pju n VAL 107 N 1.89 1.23 -3.53 3.12 0.31 0.24 -4.82 118.33 116.78 1pju n VAL 107 Ca 0.05 0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.52 1pju n VAL 107 Cb 0.41 -1.84 -0.04 0.00 -0.91 0.00 0.00 33.84 31.46 1pju n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pju s GLU 109 N -2.17 4.66 0.78 0.00 2.12 -1.26 -0.65 118.70 122.18 1pju s GLU 109 Ca 0.00 1.44 -0.12 0.00 0.36 0.00 0.00 54.97 56.65 1pju s GLU 109 Cb -0.01 -2.99 0.07 0.00 0.26 0.00 0.00 34.13 31.46 1pju s GLU 109 CO -0.03 0.34 1.13 0.20 -0.54 0.00 0.00 175.26 176.36 1pju s GLY 110 N -1.39 1.89 -0.00 -1.50 0.00 -0.52 -4.89 107.32 100.91 1pju s GLY 110 Ca 0.47 0.52 0.04 0.00 0.00 0.00 0.00 44.72 45.74 1pju s GLY 110 CO 0.28 0.89 0.15 1.18 0.00 0.00 0.00 173.10 175.60 1pju n GLU 111 N -3.35 5.26 -3.27 2.90 1.02 -0.62 -3.15 120.64 119.43 1pju n GLU 111 Ca 0.11 -0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.98 1pju n GLU 111 Cb 0.52 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 31.21 1pju n GLU 111 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1pju s SER 112 N -1.45 6.38 0.47 1.62 0.01 0.20 -4.70 113.70 116.23 1pju s SER 112 Ca 0.01 0.65 -0.21 0.00 1.31 0.00 0.00 55.95 57.72 1pju s SER 112 Cb 0.03 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.05 1pju s SER 112 CO 0.15 -0.27 1.04 -1.81 0.41 0.00 0.00 173.24 172.76 1pju s ASP 113 N -3.55 6.42 0.63 2.44 1.01 -1.26 -0.94 116.67 121.43 1pju s ASP 113 Ca 0.43 1.94 -0.16 0.00 0.71 0.00 0.00 52.55 55.47 1pju s ASP 113 Cb -0.10 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.25 1pju s ASP 113 CO 0.34 -0.73 1.13 -1.61 0.21 0.00 0.00 175.17 174.51 1pju s GLU 114 N -3.11 2.90 0.00 8.23 0.41 -1.26 -4.88 118.70 120.99 1pju s GLU 114 Ca 0.66 1.51 0.16 0.00 -0.41 0.00 0.00 54.97 56.89 1pju s GLU 114 Cb -0.17 -1.95 0.97 0.00 -1.78 0.00 0.00 34.13 31.20 1pju s GLU 114 CO 0.21 -1.19 1.38 -2.30 -0.49 0.00 0.00 175.26 172.87