#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 -0.93 3.01 -1.93 0.00 -4.23 -1.26 -4.93 115.64 105.36 1pju s THR 4 Ca 0.53 0.33 0.26 0.00 -1.18 0.00 0.00 61.69 61.63 1pju s THR 4 Cb -0.45 -2.74 0.71 0.00 1.34 0.00 0.00 72.50 71.36 1pju s THR 4 CO 0.58 -0.43 1.90 -2.11 -0.54 0.00 0.00 174.62 174.02 1pju n ARG 5 N -3.71 0.76 -2.22 3.99 1.85 -1.26 -4.94 116.66 111.13 1pju n ARG 5 Ca 0.09 0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.61 1pju n ARG 5 Cb 0.53 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.44 1pju n ARG 5 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1pju s GLU 6 N -2.07 3.40 -0.42 2.89 -1.05 -1.26 -5.01 118.70 115.18 1pju s GLU 6 Ca 0.37 1.41 -0.21 0.00 -0.15 0.00 0.00 54.97 56.39 1pju s GLU 6 Cb 0.18 -2.03 0.02 0.00 -0.44 0.00 0.00 34.13 31.86 1pju s GLU 6 CO 0.31 -0.77 0.64 0.00 0.95 0.00 0.00 175.26 176.39 1pju s GLY 8 N 1.97 1.59 -0.31 0.00 0.00 0.12 -4.98 107.32 105.69 1pju s GLY 8 Ca 0.23 -0.16 0.14 0.00 0.00 0.00 0.00 44.72 44.93 1pju s GLY 8 CO 0.18 0.42 1.10 -2.01 0.00 0.00 0.00 173.10 172.79 1pju n ASN 9 N -4.22 3.11 -4.88 1.64 5.15 -1.26 -4.54 115.26 110.27 1pju n ASN 9 Ca 0.06 -2.98 -0.31 0.00 -0.60 0.00 0.00 54.58 50.75 1pju n ASN 9 Cb 0.56 -0.45 0.03 0.00 -0.53 0.00 0.00 39.78 39.39 1pju n ASN 9 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pju s LEU 10 N -3.56 3.07 -0.22 1.20 1.43 -1.26 -4.30 118.68 115.04 1pju s LEU 10 Ca 0.38 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.58 1pju s LEU 10 Cb 0.39 -4.20 -0.14 0.00 0.03 0.00 0.00 46.19 42.28 1pju s LEU 10 CO -0.03 -1.10 -0.04 0.61 0.23 0.00 0.00 176.35 176.02 1pju n GLY 11 N -2.87 -0.73 3.56 -3.19 0.00 0.22 -4.57 105.19 97.61 1pju n GLY 11 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.42 -0.38 0.04 1.61 -0.71 -1.14 -4.35 117.98 110.62 1pju s PHE 12 Ca -0.30 0.13 0.06 0.00 -1.04 0.00 0.00 56.93 55.78 1pju s PHE 12 Cb 0.08 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.46 1pju s PHE 12 CO 0.50 -0.85 -0.16 0.20 -1.34 0.00 0.00 175.22 173.57 1pju s GLY 13 N -2.74 0.88 -0.01 1.99 0.00 0.21 -0.52 107.32 107.12 1pju s GLY 13 Ca 0.05 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 43.95 1pju s GLY 13 CO -0.06 -0.86 -0.22 -0.26 0.00 0.00 0.00 173.10 171.70 1pju s ILE 14 N -0.85 1.73 -0.35 0.90 -4.36 -0.49 -0.51 121.20 117.27 1pju s ILE 14 Ca 0.03 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.47 1pju s ILE 14 Cb -0.08 -1.44 0.11 0.00 1.25 0.00 0.00 42.46 42.30 1pju s ILE 14 CO 0.01 0.48 0.14 0.00 0.24 0.00 0.00 174.94 175.81 1pju n PRO 16 N 4.39 2.31 -3.71 0.00 -0.02 -1.25 -4.31 135.00 132.42 1pju n PRO 16 Ca 0.02 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 62.23 1pju n PRO 16 Cb 0.40 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 1pju n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1pju s ARG 17 N 3.17 0.91 0.34 -0.52 1.70 -1.26 -4.57 118.95 118.72 1pju s ARG 17 Ca 0.88 -0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 55.30 1pju s ARG 17 Cb -0.64 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.03 1pju s ARG 17 CO 0.46 -0.31 1.53 -1.12 -1.08 0.00 0.00 175.30 174.77 1pju s SER 18 N -2.29 6.35 0.02 -2.89 0.01 -0.37 -4.73 113.70 109.80 1pju s SER 18 Ca -0.02 3.01 -0.01 0.00 1.31 0.00 0.00 55.95 60.24 1pju s SER 18 Cb 0.00 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1pju s SER 18 CO -0.06 -0.89 -0.01 -1.61 0.41 0.00 0.00 173.24 171.08 1pju s GLU 19 N -1.47 0.31 0.03 12.44 2.02 -1.16 -4.85 118.70 126.02 1pju s GLU 19 Ca 0.57 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1pju s GLU 19 Cb -0.47 0.11 0.00 0.00 0.10 0.00 0.00 34.13 33.87 1pju s GLU 19 CO 0.57 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1pju n GLY 20 N 1.64 -1.49 3.62 -1.39 0.00 -1.26 -0.70 105.19 105.61 1pju n GLY 20 Ca -0.23 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.09 -0.19 0.35 1.61 1.04 -0.75 -4.69 113.70 107.98 1pju s SER 21 Ca 0.00 -0.68 0.09 0.00 0.48 0.00 0.00 55.95 55.85 1pju s SER 21 Cb 0.00 0.61 0.82 0.00 0.10 0.00 0.00 66.02 67.55 1pju s SER 21 CO 0.00 -1.15 1.84 -0.65 0.98 0.00 0.00 173.24 174.27 1pju h PRO 22 N 2.18 0.67 0.00 4.02 0.11 -1.87 -2.45 132.00 134.65 1pju h PRO 22 Ca -0.26 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.60 1pju h PRO 22 Cb 1.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1pju h PRO 22 CO 0.34 0.44 -1.07 1.25 -0.21 0.00 0.00 178.00 178.74 1pju h LEU 23 N 0.69 0.00 -6.83 2.35 7.12 -1.96 -3.40 115.31 113.28 1pju h LEU 23 Ca 0.49 0.00 -0.61 0.00 0.13 0.00 0.00 57.88 57.88 1pju h LEU 23 Cb 0.82 0.00 -0.41 0.00 -0.53 0.00 0.00 40.66 40.54 1pju h LEU 23 CO -0.24 0.94 -0.67 0.59 -0.13 0.00 0.00 178.44 178.93 1pju n ASN 24 N -3.28 2.27 -4.78 1.25 3.02 -0.94 -5.11 115.26 107.69 1pju n ASN 24 Ca -0.03 -3.04 -0.34 0.00 -0.03 0.00 0.00 54.58 51.14 1pju n ASN 24 Cb 0.94 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1pju n ASN 24 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1pju s PRO 25 N -1.22 3.47 0.26 3.52 0.04 -1.12 -1.81 135.00 138.14 1pju s PRO 25 Ca 0.28 1.49 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1pju s PRO 25 Cb -0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1pju s PRO 25 CO -0.16 -0.73 0.20 0.96 0.04 0.00 0.00 177.00 177.31 1pju s ILE 26 N -1.91 4.29 -0.33 0.56 -4.36 0.40 -4.91 121.20 114.94 1pju s ILE 26 Ca 0.70 -1.42 -0.16 0.00 -0.26 0.00 0.00 60.65 59.51 1pju s ILE 26 Cb -0.21 -3.35 -0.01 0.00 1.25 0.00 0.00 42.46 40.14 1pju s ILE 26 CO 0.26 -0.33 0.43 0.00 0.24 0.00 0.00 174.94 175.54 1pju s ILE 28 N 2.18 0.00 0.26 0.00 1.10 -1.26 -4.96 121.20 118.52 1pju s ILE 28 Ca 0.15 -0.71 0.03 0.00 -0.51 0.00 0.00 60.65 59.61 1pju s ILE 28 Cb -0.16 -1.75 -0.04 0.00 0.15 0.00 0.00 42.46 40.66 1pju s ILE 28 CO 0.12 0.00 0.19 0.54 -2.11 0.00 0.00 174.94 173.68 1pju s ASN 29 N -2.87 0.91 0.24 4.50 2.20 -1.26 -0.57 114.94 118.09 1pju s ASN 29 Ca 0.09 -1.55 -0.05 0.00 -0.94 0.00 0.00 52.86 50.42 1pju s ASN 29 Cb -0.04 0.44 0.26 0.00 -2.00 0.00 0.00 41.25 39.91 1pju s ASN 29 CO 0.02 -0.92 1.77 0.00 -2.94 0.00 0.00 177.10 175.03 1pju n SER 32 N -4.67 0.45 -4.72 0.00 3.41 -1.11 -3.37 113.62 103.61 1pju n SER 32 Ca 0.04 -0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.14 1pju n SER 32 Cb 0.03 1.28 0.13 0.00 -0.26 0.00 0.00 64.21 65.39 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 -3.98 1.72 0.00 5.00 0.00 0.29 -4.68 107.32 105.67 1pju s GLY 33 Ca -0.01 0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.97 1pju s GLY 33 CO 0.86 0.83 0.55 -0.19 0.00 0.00 0.00 173.10 175.15 1pju s TYR 34 N -2.73 3.70 0.13 1.90 2.02 -1.26 -1.13 117.35 119.97 1pju s TYR 34 Ca 0.64 1.15 -0.34 0.00 -0.37 0.00 0.00 57.07 58.16 1pju s TYR 34 Cb -0.20 -2.53 -0.17 0.00 -0.40 0.00 0.00 41.96 38.66 1pju s TYR 34 CO 0.56 0.43 1.03 1.17 -1.57 0.00 0.00 175.55 177.16 1pju n LYS 35 N 2.48 0.66 -0.44 -0.62 3.00 -0.42 -1.17 118.16 121.64 1pju n LYS 35 Ca -0.09 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1pju n LYS 35 Cb 0.51 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.89 1pju n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pju n GLY 36 N 1.90 1.10 3.39 3.14 0.00 -1.26 -4.90 105.19 108.55 1pju n GLY 36 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.25 6.51 -0.11 0.00 0.01 -0.21 -1.26 114.94 119.63 1pju s ASN 38 Ca 0.01 0.60 0.01 0.00 -0.71 0.00 0.00 52.86 52.77 1pju s ASN 38 Cb -0.13 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.37 1pju s ASN 38 CO 0.03 0.31 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.49 1pju s TYR 39 N -0.66 2.78 0.10 2.20 1.51 0.36 -0.75 117.35 122.89 1pju s TYR 39 Ca 0.17 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1pju s TYR 39 Cb -0.13 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1pju s TYR 39 CO 0.06 -0.10 -0.10 0.71 -1.11 0.00 0.00 175.55 175.01 1pju s TYR 40 N 0.05 1.07 0.79 2.71 1.51 -0.66 0.38 117.35 123.19 1pju s TYR 40 Ca -0.05 -0.65 -0.13 0.00 -1.01 0.00 0.00 57.07 55.23 1pju s TYR 40 Cb -0.14 -0.58 0.18 0.00 -0.11 0.00 0.00 41.96 41.30 1pju s TYR 40 CO 0.04 0.00 1.07 0.27 -1.11 0.00 0.00 175.55 175.83 1pju n ASN 41 N 0.55 0.12 0.21 2.29 0.23 -0.26 -0.30 115.26 118.11 1pju n ASN 41 Ca -0.16 -1.41 0.15 0.00 -0.53 0.00 0.00 54.58 52.63 1pju n ASN 41 Cb 0.58 -0.82 0.69 0.00 -2.08 0.00 0.00 39.78 38.15 1pju n ASN 41 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1pju h SER 42 N -1.39 0.00 -0.69 0.53 4.64 -1.91 -1.35 113.55 113.38 1pju h SER 42 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1pju h SER 42 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1pju h SER 42 CO 0.25 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.70 1pju n PHE 43 N -2.58 0.92 -1.04 4.77 3.72 -1.26 -4.67 117.46 117.32 1pju n PHE 43 Ca -0.00 -0.46 -0.01 0.00 -0.05 0.00 0.00 57.45 56.93 1pju n PHE 43 Cb 0.17 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.64 0.49 3.72 1.37 0.00 -0.51 -5.00 105.19 106.89 1pju n GLY 44 Ca 0.24 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.98 4.49 0.12 1.61 2.20 -1.26 -4.78 119.74 121.15 1pju s LYS 45 Ca 0.00 1.66 -0.31 0.00 -0.36 0.00 0.00 55.97 56.96 1pju s LYS 45 Cb 0.00 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.85 1pju s LYS 45 CO 0.00 -0.15 1.71 0.12 -0.36 0.00 0.00 175.35 176.67 1pju s PHE 46 N 0.88 2.51 -0.21 4.03 5.36 -1.26 -1.10 117.98 128.18 1pju s PHE 46 Ca 0.55 0.26 -0.16 0.00 -0.96 0.00 0.00 56.93 56.62 1pju s PHE 46 Cb -0.27 -4.05 -0.08 0.00 -0.34 0.00 0.00 43.02 38.28 1pju s PHE 46 CO 0.29 -4.18 -0.35 -0.89 -1.46 0.00 0.00 175.22 168.63 1pju n ILE 47 N 4.49 1.50 -3.52 3.12 2.08 0.16 -4.90 119.36 122.30 1pju n ILE 47 Ca 0.16 -0.04 -0.09 0.00 0.56 0.00 0.00 62.75 63.33 1pju n ILE 47 Cb 0.39 -2.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.07 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 -2.63 4.34 0.49 0.00 2.12 -1.26 -0.49 118.70 121.27 1pju s GLU 49 Ca 0.03 1.39 -0.24 0.00 0.36 0.00 0.00 54.97 56.51 1pju s GLU 49 Cb -0.01 -2.60 -0.07 0.00 0.26 0.00 0.00 34.13 31.71 1pju s GLU 49 CO -0.06 0.04 1.41 0.20 -0.54 0.00 0.00 175.26 176.32 1pju s GLY 50 N -1.66 2.91 0.03 -1.50 0.00 -0.39 -4.91 107.32 101.80 1pju s GLY 50 Ca 0.55 1.44 0.22 0.00 0.00 0.00 0.00 44.72 46.94 1pju s GLY 50 CO 0.24 2.02 0.93 1.18 0.00 0.00 0.00 173.10 177.48 1pju n GLU 51 N -0.50 0.31 -2.88 2.90 1.02 -0.08 -2.33 120.64 119.07 1pju n GLU 51 Ca 0.07 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1pju n GLU 51 Cb 0.43 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 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 -3.91 6.75 -0.16 1.62 0.15 -0.28 -4.64 113.70 113.23 1pju s SER 52 Ca 0.03 0.81 -0.29 0.00 0.70 0.00 0.00 55.95 57.20 1pju s SER 52 Cb 0.14 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1pju s SER 52 CO 0.83 -0.64 1.47 -0.62 1.20 0.00 0.00 173.24 175.47 1pju s ASP 53 N 1.56 6.70 0.44 5.45 -1.08 -1.26 -1.30 116.67 127.18 1pju s ASP 53 Ca 0.35 1.79 0.31 0.00 -0.52 0.00 0.00 52.55 54.48 1pju s ASP 53 Cb -0.14 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.27 1pju s ASP 53 CO 0.12 -0.96 1.93 1.55 0.52 0.00 0.00 175.17 178.33 1pju h PRO 54 N 9.30 0.00 0.00 4.34 0.13 -1.95 0.10 132.00 143.92 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 -0.16 0.86 1.57 -1.97 -3.40 116.57 113.46 1pju h LYS 55 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1pju h LYS 55 Cb 0.22 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.38 1pju h LYS 55 CO 0.00 0.00 -0.38 2.89 -0.57 0.00 0.00 179.45 181.39 1pju n ARG 56 N -2.54 0.58 -1.67 3.15 1.85 0.22 -4.47 116.66 113.79 1pju n ARG 56 Ca 0.04 -1.52 -0.39 0.00 -1.00 0.00 0.00 57.85 54.98 1pju n ARG 56 Cb 0.37 -1.14 0.04 0.00 -1.05 0.00 0.00 32.46 30.68 1pju n ARG 56 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1pju n PRO 57 N 1.87 1.34 -1.86 2.89 -0.02 -0.40 -4.29 135.00 134.53 1pju n PRO 57 Ca 0.09 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 1pju n PRO 57 Cb 0.64 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 1pju n PRO 57 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1pju s ASN 58 N -0.99 4.89 -0.16 2.55 0.01 -1.26 -4.92 114.94 115.06 1pju s ASN 58 Ca 0.71 2.53 -0.20 0.00 -0.71 0.00 0.00 52.86 55.20 1pju s ASN 58 Cb -0.45 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.57 1pju s ASN 58 CO 0.50 -1.80 0.55 0.00 -1.51 0.00 0.00 177.10 174.84 1pju s ALA 59 N -1.47 3.49 -0.01 0.60 0.00 -1.26 -4.94 121.76 118.18 1pju s ALA 59 Ca 0.80 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1pju s ALA 59 Cb -0.35 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1pju s ALA 59 CO 0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 175.76 175.85 1pju n THR 61 N 3.58 0.24 -1.91 0.00 5.66 -1.26 -4.89 114.28 115.70 1pju n THR 61 Ca -0.20 -0.04 -0.42 0.00 -3.05 0.00 0.00 64.05 60.34 1pju n THR 61 Cb 0.55 -2.08 -0.03 0.00 -1.55 0.00 0.00 70.33 67.22 1pju n THR 61 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1pju s PHE 62 N 2.19 2.93 0.13 1.09 5.36 -1.26 -4.99 117.98 123.43 1pju s PHE 62 Ca 0.80 0.54 -0.25 0.00 -0.96 0.00 0.00 56.93 57.05 1pju s PHE 62 Cb -0.49 -3.96 0.07 0.00 -0.34 0.00 0.00 43.02 38.30 1pju s PHE 62 CO 0.35 -3.61 0.82 0.54 -1.46 0.00 0.00 175.22 171.87 1pju s ASN 63 N 1.38 -0.33 -0.25 6.13 4.22 -1.26 -5.13 114.94 119.71 1pju s ASN 63 Ca 0.71 -0.24 -0.07 0.00 -2.14 0.00 0.00 52.86 51.12 1pju s ASN 63 Cb -0.44 0.53 -0.03 0.00 1.28 0.00 0.00 41.25 42.59 1pju s ASN 63 CO 0.32 -0.92 0.07 0.00 -2.04 0.00 0.00 177.10 174.53 1pju s ASP 65 N 1.58 6.92 0.55 0.00 -1.08 0.27 -4.89 116.67 120.02 1pju s ASP 65 Ca 0.06 1.63 0.36 0.00 -0.52 0.00 0.00 52.55 54.08 1pju s ASP 65 Cb -0.15 -2.54 1.73 0.00 -1.46 0.00 0.00 42.92 40.50 1pju s ASP 65 CO 0.04 -0.79 2.08 -0.65 0.52 0.00 0.00 175.17 176.37 1pju h PRO 66 N 8.30 0.00 -0.00 4.34 0.11 -1.97 -1.91 132.00 140.86 1pju h PRO 66 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1pju h PRO 66 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pju h PRO 66 CO 0.98 0.00 -0.24 0.09 -0.21 0.00 0.00 178.00 178.61 1pju n ASN 67 N -2.94 0.53 -4.53 -2.05 3.02 -1.26 -4.78 115.26 103.25 1pju n ASN 67 Ca -0.01 -0.39 -0.36 0.00 -0.03 0.00 0.00 54.58 53.80 1pju n ASN 67 Cb 0.19 0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.25 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 -2.71 4.54 -0.17 2.41 1.01 -0.72 -3.05 121.20 122.52 1pju s ILE 68 Ca 0.20 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.84 1pju s ILE 68 Cb 0.19 -3.09 -0.16 0.00 0.01 0.00 0.00 42.46 39.41 1pju s ILE 68 CO 0.56 0.39 -0.03 0.00 0.00 0.00 0.00 174.94 175.85 1pju n ALA 69 N 4.32 1.61 -3.38 9.38 0.00 0.59 -4.61 120.51 128.42 1pju n ALA 69 Ca -0.16 -0.93 -0.10 0.00 0.00 0.00 0.00 53.44 52.25 1pju n ALA 69 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.37 -0.21 0.19 0.00 -0.85 -1.08 -0.45 117.35 112.57 1pju s TYR 70 Ca -0.15 -0.12 0.10 0.00 -0.52 0.00 0.00 57.07 56.38 1pju s TYR 70 Cb 0.05 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 1pju s TYR 70 CO 0.55 -0.94 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.89 1pju s SER 71 N -2.85 3.13 -0.14 -0.18 1.04 0.12 -1.66 113.70 113.16 1pju s SER 71 Ca 0.08 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1pju s SER 71 Cb -0.02 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.92 1pju s SER 71 CO -0.04 0.05 -0.05 -0.13 0.98 0.00 0.00 173.24 174.05 1pju s ARG 72 N -2.77 1.38 0.45 4.02 1.81 0.07 -3.01 118.95 120.89 1pju s ARG 72 Ca 0.19 -0.37 0.05 0.00 -1.72 0.00 0.00 55.73 53.88 1pju s ARG 72 Cb -0.07 -1.79 -0.05 0.00 -0.45 0.00 0.00 34.95 32.60 1pju s ARG 72 CO 0.09 -0.37 0.06 0.00 -0.68 0.00 0.00 175.30 174.40 1pju h PRO 74 N 1.53 0.75 -5.66 0.00 0.11 -1.90 -3.42 132.00 123.42 1pju h PRO 74 Ca -0.43 -0.15 -0.65 0.00 0.11 0.00 0.00 66.00 64.88 1pju h PRO 74 Cb 1.27 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1pju h PRO 74 CO 0.76 0.69 -0.43 1.03 -0.21 0.00 0.00 178.00 179.84 1pju s ARG 75 N -5.18 3.62 0.00 1.05 0.52 -1.26 -4.99 118.95 112.71 1pju s ARG 75 Ca -0.09 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1pju s ARG 75 Cb 0.16 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1pju s ARG 75 CO 0.79 0.70 0.49 0.43 0.02 0.00 0.00 175.30 177.72 1pju n SER 76 N 2.17 0.80 -4.26 0.23 7.64 -1.26 -1.24 113.62 117.70 1pju n SER 76 Ca -0.18 -1.23 -0.15 0.00 1.01 0.00 0.00 58.87 58.32 1pju n SER 76 Cb 0.54 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 1pju n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pju s GLN 77 N -0.23 1.13 0.45 1.43 -0.21 -1.26 -4.71 119.66 116.27 1pju s GLN 77 Ca 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 53.86 1pju s GLN 77 Cb 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 33.01 33.49 1pju s GLN 77 CO 0.00 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 1pju n GLY 78 N -0.26 -2.32 3.88 3.09 0.00 -1.26 -4.96 105.19 103.37 1pju n GLY 78 Ca -0.08 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1pju n GLY 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pju s LYS 79 N -0.43 3.61 -0.02 1.61 2.36 -1.26 -4.99 119.74 120.61 1pju s LYS 79 Ca 0.00 0.61 0.20 0.00 -2.55 0.00 0.00 55.97 54.23 1pju s LYS 79 Cb 0.00 -2.17 -0.30 0.00 -1.05 0.00 0.00 37.83 34.32 1pju s LYS 79 CO 0.00 -0.45 0.52 -1.13 1.55 0.00 0.00 175.35 175.85 1pju n SER 80 N -2.53 0.48 -3.85 1.43 3.41 -1.26 -4.56 113.62 106.74 1pju n SER 80 Ca 0.05 -0.19 -0.19 0.00 -0.26 0.00 0.00 58.87 58.28 1pju n SER 80 Cb 0.54 1.74 -0.16 0.00 -0.26 0.00 0.00 64.21 66.07 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 -4.12 1.20 -0.31 1.04 2.96 -1.26 -0.54 118.68 117.65 1pju s LEU 81 Ca -0.04 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1pju s LEU 81 Cb 0.13 -0.35 0.06 0.00 0.50 0.00 0.00 46.19 46.54 1pju s LEU 81 CO 0.84 -0.09 0.02 -0.63 -1.32 0.00 0.00 176.35 175.17 1pju s ILE 82 N 1.05 2.85 -0.27 6.68 1.01 0.33 -4.99 121.20 127.85 1pju s ILE 82 Ca -0.09 -1.60 -0.10 0.00 0.00 0.00 0.00 60.65 58.86 1pju s ILE 82 Cb -0.14 -2.73 0.12 0.00 0.01 0.00 0.00 42.46 39.72 1pju s ILE 82 CO -0.01 -0.22 0.60 -0.47 0.00 0.00 0.00 174.94 174.84 1pju s TYR 83 N 1.18 -1.20 0.18 3.97 5.04 -1.26 -0.62 117.35 124.64 1pju s TYR 83 Ca -0.02 2.13 -0.03 0.00 -2.44 0.00 0.00 57.07 56.71 1pju s TYR 83 Cb -0.20 0.68 0.04 0.00 0.35 0.00 0.00 41.96 42.83 1pju s TYR 83 CO -0.03 -0.61 0.23 -0.35 -1.34 0.00 0.00 175.55 173.45 1pju n PRO 84 N 5.33 -0.29 0.00 4.97 -0.04 -1.26 -5.11 135.00 138.59 1pju n PRO 84 Ca -0.12 -0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.05 1pju n PRO 84 Cb 0.50 -0.25 -0.06 0.00 -0.04 0.00 0.00 33.50 33.66 1pju n PRO 84 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pju n THR 85 N -2.36 0.00 0.00 0.52 -2.24 -1.26 -4.97 114.28 103.97 1pju n THR 85 Ca 0.03 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1pju n THR 85 Cb 0.10 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.27 3.45 0.58 3.38 0.00 -1.26 -2.05 105.19 110.55 1pju n GLY 86 Ca 0.04 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.38 0.96 -4.21 0.00 -1.04 -0.87 0.12 114.28 109.61 1pju n THR 88 Ca 0.17 -0.24 -0.26 0.00 -2.04 0.00 0.00 64.05 61.68 1pju n THR 88 Cb 0.36 -0.70 -0.06 0.00 -1.82 0.00 0.00 70.33 68.11 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 -0.29 2.00 0.29 12.58 -4.23 -1.26 -3.70 115.64 121.02 1pju s THR 89 Ca 0.73 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1pju s THR 89 Cb -0.89 -2.72 0.28 0.00 1.34 0.00 0.00 72.50 70.51 1pju s THR 89 CO 0.53 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 176.39 1pju n THR 92 N -4.98 0.42 -0.79 0.00 -2.24 -1.09 -2.99 114.28 102.61 1pju n THR 92 Ca -0.09 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1pju n THR 92 Cb 0.22 -0.59 0.18 0.00 -2.10 0.00 0.00 70.33 68.04 1pju n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pju s GLY 93 N -3.37 1.63 0.10 3.38 0.00 0.12 -4.61 107.32 104.56 1pju s GLY 93 Ca 0.11 0.21 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 1pju s GLY 93 CO 0.56 0.73 0.50 -0.19 0.00 0.00 0.00 173.10 174.70 1pju s TYR 94 N -2.67 3.65 0.33 1.90 2.02 -1.26 -0.24 117.35 121.08 1pju s TYR 94 Ca 0.66 1.03 -0.29 0.00 -0.37 0.00 0.00 57.07 58.10 1pju s TYR 94 Cb -0.22 -2.34 -0.12 0.00 -0.40 0.00 0.00 41.96 38.89 1pju s TYR 94 CO 0.60 0.50 1.47 1.63 -1.57 0.00 0.00 175.55 178.18 1pju n LYS 95 N 1.12 2.50 -0.97 -0.62 5.02 0.74 -1.40 118.16 124.55 1pju n LYS 95 Ca -0.08 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1pju n LYS 95 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1pju n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pju n GLY 96 N 1.23 0.47 3.63 0.72 0.00 -1.26 -4.90 105.19 105.07 1pju n GLY 96 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.88 2.90 -0.14 0.00 1.51 0.18 -1.07 117.35 119.86 1pju s TYR 98 Ca 0.14 -1.18 -0.05 0.00 -1.01 0.00 0.00 57.07 54.97 1pju s TYR 98 Cb -0.11 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1pju s TYR 98 CO 0.03 -0.64 0.04 0.71 -1.11 0.00 0.00 175.55 174.59 1pju s TYR 99 N 1.41 3.25 0.10 2.71 2.02 0.99 -1.40 117.35 126.44 1pju s TYR 99 Ca 0.05 0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.97 1pju s TYR 99 Cb -0.14 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1pju s TYR 99 CO -0.07 0.33 -0.12 -0.06 -1.57 0.00 0.00 175.55 174.07 1pju s PHE 100 N -0.25 2.70 1.02 2.71 0.40 0.32 -0.47 117.98 124.41 1pju s PHE 100 Ca 0.07 -0.18 -0.16 0.00 -0.60 0.00 0.00 56.93 56.06 1pju s PHE 100 Cb -0.12 -1.43 0.21 0.00 0.51 0.00 0.00 43.02 42.20 1pju s PHE 100 CO 0.02 0.41 1.23 0.20 0.70 0.00 0.00 175.22 177.78 1pju s GLY 101 N -2.11 1.69 0.53 4.36 0.00 0.78 -0.61 107.32 111.96 1pju s GLY 101 Ca 0.20 -1.03 0.25 0.00 0.00 0.00 0.00 44.72 44.14 1pju s GLY 101 CO 0.12 -0.26 2.12 0.50 0.00 0.00 0.00 173.10 175.58 1pju h LYS 102 N -1.87 0.00 -0.00 2.90 6.56 -1.85 -1.55 116.57 120.75 1pju h LYS 102 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1pju h LYS 102 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1pju h LYS 102 CO 0.41 0.09 -0.02 -0.40 -2.06 0.00 0.00 179.45 177.47 1pju n ASP 103 N -3.91 0.06 0.00 0.86 5.68 -1.26 -4.91 116.55 113.07 1pju n ASP 103 Ca -0.02 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 1pju n ASP 103 Cb 0.18 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1pju n ASP 103 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pju n GLY 104 N 1.26 0.67 3.89 6.12 0.00 -0.58 -5.05 105.19 111.51 1pju n GLY 104 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.27 3.65 0.24 1.61 2.47 -1.26 -4.78 119.74 121.41 1pju s LYS 105 Ca 0.00 -0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 54.08 1pju s LYS 105 Cb 0.00 -2.81 -0.10 0.00 -1.46 0.00 0.00 37.83 33.45 1pju s LYS 105 CO 0.00 0.44 1.51 0.12 0.16 0.00 0.00 175.35 177.58 1pju s PHE 106 N -1.69 2.95 -0.14 4.03 5.36 -1.26 -0.16 117.98 127.08 1pju s PHE 106 Ca 0.42 0.87 -0.10 0.00 -0.96 0.00 0.00 56.93 57.17 1pju s PHE 106 Cb -0.12 -3.91 -0.06 0.00 -0.34 0.00 0.00 43.02 38.59 1pju s PHE 106 CO 0.24 -3.08 -0.22 0.28 -1.46 0.00 0.00 175.22 170.98 1pju n VAL 107 N 2.62 1.11 -3.58 3.12 0.31 0.38 -4.82 118.33 117.47 1pju n VAL 107 Ca 0.09 -0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 1pju n VAL 107 Cb 0.39 -1.85 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 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 -1.45 4.28 0.71 0.00 2.12 -1.26 -0.01 118.70 123.10 1pju s GLU 109 Ca 0.02 1.37 -0.12 0.00 0.36 0.00 0.00 54.97 56.61 1pju s GLU 109 Cb -0.01 -2.53 0.02 0.00 0.26 0.00 0.00 34.13 31.88 1pju s GLU 109 CO -0.02 -0.01 1.08 0.20 -0.54 0.00 0.00 175.26 175.97 1pju s GLY 110 N -1.72 1.77 0.00 -1.50 0.00 -0.23 -4.88 107.32 100.76 1pju s GLY 110 Ca 0.57 0.24 0.03 0.00 0.00 0.00 0.00 44.72 45.56 1pju s GLY 110 CO 0.23 0.57 0.29 1.18 0.00 0.00 0.00 173.10 175.38 1pju n GLU 111 N -3.12 3.82 -3.72 2.90 1.02 -0.52 -3.21 120.64 117.81 1pju n GLU 111 Ca 0.09 -0.24 -0.20 0.00 -0.02 0.00 0.00 57.16 56.79 1pju n GLU 111 Cb 0.53 -0.79 -0.02 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.97 5.72 0.26 1.62 0.01 0.67 -4.75 113.70 116.25 1pju s SER 112 Ca 0.02 -0.27 -0.23 0.00 1.31 0.00 0.00 55.95 56.77 1pju s SER 112 Cb 0.03 -1.23 -0.09 0.00 0.21 0.00 0.00 66.02 64.94 1pju s SER 112 CO 0.10 -0.32 0.83 -1.81 0.41 0.00 0.00 173.24 172.45 1pju s ASP 113 N -4.05 7.24 0.45 2.44 1.01 -1.26 -0.18 116.67 122.31 1pju s ASP 113 Ca 0.41 1.64 -0.24 0.00 0.71 0.00 0.00 52.55 55.07 1pju s ASP 113 Cb -0.08 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 1pju s ASP 113 CO 0.29 0.02 1.23 -1.61 0.21 0.00 0.00 175.17 175.31 1pju s GLU 114 N -1.88 3.75 0.00 8.23 2.02 -1.26 -4.93 118.70 124.63 1pju s GLU 114 Ca 0.45 1.96 0.32 0.00 0.02 0.00 0.00 54.97 57.71 1pju s GLU 114 Cb -0.19 -2.51 1.83 0.00 0.10 0.00 0.00 34.13 33.36 1pju s GLU 114 CO 0.23 -0.61 2.18 -2.30 0.02 0.00 0.00 175.26 174.78