#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5p s SER 2 N 0.00 6.38 -1.32 1.61 0.01 -1.26 -4.47 113.70 114.64 1x5p s SER 2 Ca 0.00 -2.06 -0.07 0.00 1.31 0.00 0.00 55.95 55.13 1x5p s SER 2 Cb 0.00 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1x5p s SER 2 CO 0.00 -0.78 1.14 -0.24 0.41 0.00 0.00 173.24 173.77 1x5p n SER 3 N 4.91 -5.36 -3.44 2.44 2.88 -1.26 -4.98 113.62 108.81 1x5p n SER 3 Ca -0.04 -0.56 -0.28 0.00 -1.33 0.00 0.00 58.87 56.65 1x5p n SER 3 Cb 0.42 -5.05 -0.11 0.00 -0.75 0.00 0.00 64.21 58.72 1x5p n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5p s GLY 4 N -3.57 0.83 -0.01 0.46 0.00 -1.26 -4.99 107.32 98.78 1x5p s GLY 4 Ca 0.45 -1.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.08 1x5p s GLY 4 CO 0.73 2.14 1.16 1.76 0.00 0.00 0.00 173.10 178.89 1x5p h SER 5 N 6.85 0.31 -3.56 1.64 0.02 -1.94 -3.16 113.55 113.71 1x5p h SER 5 Ca 0.08 -0.66 -0.52 0.00 -0.84 0.00 0.00 61.79 59.85 1x5p h SER 5 Cb 0.97 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 1x5p h SER 5 CO 0.27 0.92 -0.02 -0.94 -1.14 0.00 0.00 176.83 175.93 1x5p s SER 6 N -6.29 6.71 0.00 3.07 1.04 -1.26 -4.99 113.70 111.98 1x5p s SER 6 Ca -0.15 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1x5p s SER 6 Cb 0.03 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1x5p s SER 6 CO 0.75 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.46 1x5p n GLY 7 N -0.17 2.61 3.55 7.32 0.00 -1.26 -5.01 105.19 112.24 1x5p n GLY 7 Ca 0.01 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1x5p n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5p s GLU 8 N -0.61 2.58 0.32 1.61 0.41 -1.26 -4.83 118.70 116.92 1x5p s GLU 8 Ca 0.00 0.23 0.06 0.00 -0.41 0.00 0.00 54.97 54.84 1x5p s GLU 8 Cb 0.00 -4.69 0.88 0.00 -1.78 0.00 0.00 34.13 28.54 1x5p s GLU 8 CO 0.00 -3.03 1.58 -0.09 -0.49 0.00 0.00 175.26 173.22 1x5p h ARG 9 N 13.41 0.02 -5.64 1.61 9.65 -2.00 -3.41 114.38 128.02 1x5p h ARG 9 Ca -0.10 -0.00 -0.81 0.00 -1.10 0.00 0.00 59.98 57.96 1x5p h ARG 9 Cb 1.09 -0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.69 1x5p h ARG 9 CO 1.21 0.01 0.55 0.54 2.80 0.00 0.00 179.97 185.09 1x5p n ARG 10 N -5.43 0.00 -2.31 0.20 3.00 -1.26 -4.88 116.66 105.98 1x5p n ARG 10 Ca 0.26 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.77 1x5p n ARG 10 Cb 0.87 -1.41 -0.01 0.00 0.00 0.00 0.00 32.46 31.90 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x5p s ALA 11 N 2.36 2.83 0.04 7.54 0.00 -1.26 -4.99 121.76 128.28 1x5p s ALA 11 Ca 0.97 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1x5p s ALA 11 Cb -1.37 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 18.45 1x5p s ALA 11 CO 0.73 -0.52 1.41 -1.25 0.00 0.00 0.00 175.76 176.13 1x5p s PRO 12 N -3.67 4.29 0.07 0.00 0.04 -1.26 -5.01 135.00 129.46 1x5p s PRO 12 Ca 0.65 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.56 1x5p s PRO 12 Cb -0.16 -3.48 -0.06 0.00 0.04 0.00 0.00 34.50 30.84 1x5p s PRO 12 CO 0.28 -0.54 0.50 0.50 0.04 0.00 0.00 177.00 177.78 1x5p s ARG 13 N 2.01 4.01 0.72 4.56 6.06 -1.26 -5.06 118.95 129.99 1x5p s ARG 13 Ca 0.65 0.52 -0.15 0.00 -2.50 0.00 0.00 55.73 54.24 1x5p s ARG 13 Cb -0.34 -3.13 0.03 0.00 0.06 0.00 0.00 34.95 31.58 1x5p s ARG 13 CO 0.28 0.61 1.23 0.15 -2.50 0.00 0.00 175.30 175.07 1x5p s LYS 14 N -1.40 2.14 0.11 5.12 1.02 -1.26 -4.96 119.74 120.52 1x5p s LYS 14 Ca 0.30 1.85 -0.25 0.00 0.02 0.00 0.00 55.97 57.89 1x5p s LYS 14 Cb -0.17 -1.82 0.08 0.00 -0.52 0.00 0.00 37.83 35.39 1x5p s LYS 14 CO 0.17 -1.85 0.78 0.20 -0.92 0.00 0.00 175.35 173.73 1x5p s GLY 15 N -1.87 -0.44 -0.14 -3.33 0.00 -1.26 -5.03 107.32 95.25 1x5p s GLY 15 Ca 0.76 0.53 -0.04 0.00 0.00 0.00 0.00 44.72 45.97 1x5p s GLY 15 CO 0.45 0.17 -0.17 1.16 0.00 0.00 0.00 173.10 174.71 1x5p n ASN 16 N -0.35 1.69 -4.86 1.64 6.94 -1.26 -4.37 115.26 114.69 1x5p n ASN 16 Ca -0.11 0.09 -0.31 0.00 -0.02 0.00 0.00 54.58 54.23 1x5p n ASN 16 Cb 0.62 -0.36 -0.04 0.00 -2.36 0.00 0.00 39.78 37.65 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1x5p s THR 17 N -2.27 4.70 -0.04 5.53 2.01 -1.26 -1.76 115.64 122.54 1x5p s THR 17 Ca -0.20 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1x5p s THR 17 Cb 0.07 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.90 1x5p s THR 17 CO 0.28 -0.49 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.95 1x5p s LEU 18 N -3.71 1.07 -0.52 4.42 1.43 -0.99 -3.80 118.68 116.58 1x5p s LEU 18 Ca 0.54 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.30 1x5p s LEU 18 Cb -0.10 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.83 1x5p s LEU 18 CO 0.28 -0.11 1.10 -0.47 0.23 0.00 0.00 176.35 177.38 1x5p s TYR 19 N 1.20 2.75 -0.03 0.29 6.14 0.14 -2.75 117.35 125.09 1x5p s TYR 19 Ca -0.07 0.46 -0.00 0.00 0.64 0.00 0.00 57.07 58.10 1x5p s TYR 19 Cb -0.13 -4.35 -0.04 0.00 0.42 0.00 0.00 41.96 37.86 1x5p s TYR 19 CO -0.02 -1.37 0.02 0.08 0.64 0.00 0.00 175.55 174.90 1x5p s VAL 20 N 4.46 4.36 -0.04 3.14 1.01 0.95 -0.01 120.40 134.28 1x5p s VAL 20 Ca 0.42 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1x5p s VAL 20 Cb -0.08 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1x5p s VAL 20 CO 0.27 0.45 0.01 -0.47 0.00 0.00 0.00 175.10 175.36 1x5p s TYR 21 N -1.05 0.32 0.00 5.22 6.14 0.71 0.19 117.35 128.87 1x5p s TYR 21 Ca 0.18 0.01 0.00 0.00 0.64 0.00 0.00 57.07 57.91 1x5p s TYR 21 Cb -0.12 -0.46 0.00 0.00 0.42 0.00 0.00 41.96 41.81 1x5p s TYR 21 CO 0.08 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 176.53 1x5p n GLY 22 N 4.39 4.59 1.62 8.97 0.00 -0.98 -1.26 105.19 122.53 1x5p n GLY 22 Ca -0.22 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1x5p n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5p n GLU 23 N 0.00 0.00 -1.90 1.61 1.02 -1.26 -4.79 120.64 115.32 1x5p n GLU 23 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1x5p n GLU 23 Cb 0.00 -0.19 0.03 0.00 -0.02 0.00 0.00 31.44 31.26 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x5p n ASP 24 N -3.21 5.71 -4.67 1.62 8.00 -1.26 -5.02 116.55 117.73 1x5p n ASP 24 Ca 0.00 -3.76 -0.29 0.00 0.71 0.00 0.00 54.79 51.45 1x5p n ASP 24 Cb 0.07 -0.54 -0.08 0.00 -0.02 0.00 0.00 41.12 40.54 1x5p n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x5p s MET 25 N -3.67 2.45 0.19 -1.24 0.23 -1.26 -4.96 119.30 111.04 1x5p s MET 25 Ca 0.54 -0.96 0.09 0.00 -1.03 0.00 0.00 55.69 54.33 1x5p s MET 25 Cb 0.43 -2.45 -0.04 0.00 -1.53 0.00 0.00 34.83 31.24 1x5p s MET 25 CO -0.02 0.50 -0.18 0.95 -2.03 0.00 0.00 175.02 174.25 1x5p s THR 26 N -1.46 1.90 0.09 3.16 -4.23 -1.26 -5.05 115.64 108.79 1x5p s THR 26 Ca 0.26 -2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 1x5p s THR 26 Cb -0.11 -1.96 -0.09 0.00 1.34 0.00 0.00 72.50 71.68 1x5p s THR 26 CO 0.18 -0.39 1.41 -0.65 -0.54 0.00 0.00 174.62 174.63 1x5p h PRO 27 N 2.96 -0.39 -1.19 3.99 0.11 -1.99 -0.09 132.00 135.39 1x5p h PRO 27 Ca -0.41 0.03 0.34 0.00 0.11 0.00 0.00 66.00 66.07 1x5p h PRO 27 Cb 1.22 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.33 1x5p h PRO 27 CO 0.55 -0.26 0.80 1.15 -0.21 0.00 0.00 178.00 180.03 1x5p h THR 28 N -0.41 0.37 -0.13 -1.15 2.02 -2.00 0.22 112.91 111.84 1x5p h THR 28 Ca 0.03 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1x5p h THR 28 Cb 0.49 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1x5p h THR 28 CO -0.35 0.04 -0.01 0.25 0.37 0.00 0.00 175.52 175.81 1x5p h LEU 29 N 0.19 0.24 -1.82 2.58 6.46 -1.46 -2.91 115.31 118.59 1x5p h LEU 29 Ca 0.66 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1x5p h LEU 29 Cb 2.08 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.94 1x5p h LEU 29 CO -0.23 0.52 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.03 1x5p h LEU 30 N -0.05 0.09 -0.90 2.25 3.38 0.21 -1.29 115.31 119.00 1x5p h LEU 30 Ca 0.03 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1x5p h LEU 30 Cb 0.41 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1x5p h LEU 30 CO 0.01 0.12 0.59 0.03 0.09 0.00 0.00 178.44 179.28 1x5p h ARG 31 N 0.10 1.13 -0.00 1.13 3.08 -1.11 0.21 114.38 118.93 1x5p h ARG 31 Ca 0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1x5p h ARG 31 Cb 0.09 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1x5p h ARG 31 CO 0.00 0.75 -0.43 0.41 -1.07 0.00 0.00 179.97 179.64 1x5p n GLY 32 N -1.35 -0.88 0.11 0.04 0.00 -0.82 -2.42 105.19 99.88 1x5p n GLY 32 Ca 0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1x5p n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5p n ALA 33 N -1.04 1.29 0.02 4.61 0.00 -0.55 -4.25 120.51 120.59 1x5p n ALA 33 Ca 0.09 -0.85 0.06 0.00 0.00 0.00 0.00 53.44 52.73 1x5p n ALA 33 Cb 0.35 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 1x5p n ALA 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x5p n PHE 34 N -3.17 0.55 -0.14 0.00 3.01 0.68 -4.27 117.46 114.12 1x5p n PHE 34 Ca -0.28 0.17 -0.06 0.00 1.01 0.00 0.00 57.45 58.29 1x5p n PHE 34 Cb 1.06 -0.86 0.03 0.00 -0.01 0.00 0.00 39.48 39.70 1x5p n PHE 34 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5p h SER 35 N 0.00 0.38 0.00 4.37 0.87 -1.64 -1.75 113.55 115.78 1x5p h SER 35 Ca -0.11 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1x5p h SER 35 Cb 1.31 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x5p h SER 35 CO 0.02 0.27 0.58 -0.65 -0.53 0.00 0.00 176.83 176.52 1x5p h PRO 36 N 0.49 0.00 0.08 2.24 0.11 -1.74 0.46 132.00 133.64 1x5p h PRO 36 Ca 0.18 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.95 1x5p h PRO 36 Cb 0.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1x5p h PRO 36 CO -0.10 0.00 -1.98 1.19 -0.21 0.00 0.00 178.00 176.90 1x5p n PHE 37 N -2.60 1.05 0.00 0.65 3.01 -0.67 -5.07 117.46 113.83 1x5p n PHE 37 Ca -0.01 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1x5p n PHE 37 Cb 0.61 -1.15 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 1x5p n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x5p n GLY 38 N 1.90 1.08 3.17 1.37 0.00 0.16 -4.89 105.19 107.97 1x5p n GLY 38 Ca -0.29 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1x5p n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5p s ASN 39 N 2.00 2.50 -0.37 1.61 2.47 -1.26 -4.56 114.94 117.33 1x5p s ASN 39 Ca 0.00 -0.42 -0.16 0.00 0.42 0.00 0.00 52.86 52.70 1x5p s ASN 39 Cb 0.00 -0.82 -0.00 0.00 -1.45 0.00 0.00 41.25 38.98 1x5p s ASN 39 CO 0.00 0.16 0.40 -0.63 -3.72 0.00 0.00 177.10 173.31 1x5p s ILE 40 N 0.11 5.13 -0.10 -5.21 1.01 -1.26 -2.64 121.20 118.25 1x5p s ILE 40 Ca -0.08 -0.04 0.20 0.00 0.00 0.00 0.00 60.65 60.73 1x5p s ILE 40 Cb -0.14 -3.90 -0.29 0.00 0.01 0.00 0.00 42.46 38.14 1x5p s ILE 40 CO 0.04 -0.20 0.34 2.30 0.00 0.00 0.00 174.94 177.42 1x5p n ILE 41 N 5.31 0.58 -3.56 2.92 -5.35 -1.09 -4.86 119.36 113.32 1x5p n ILE 41 Ca -0.08 -0.64 -0.24 0.00 -0.27 0.00 0.00 62.75 61.51 1x5p n ILE 41 Cb 0.49 -0.21 -0.15 0.00 -1.74 0.00 0.00 39.64 38.03 1x5p n ILE 41 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1x5p s ASP 42 N -4.95 2.27 -0.21 7.28 2.15 -1.25 -5.01 116.67 116.94 1x5p s ASP 42 Ca -0.08 -0.64 -0.01 0.00 0.43 0.00 0.00 52.55 52.25 1x5p s ASP 42 Cb 0.11 -0.06 0.06 0.00 -0.30 0.00 0.00 42.92 42.72 1x5p s ASP 42 CO 0.87 -0.36 -0.01 -0.22 -0.17 0.00 0.00 175.17 175.28 1x5p s LEU 43 N 2.19 1.90 -0.04 -1.34 2.96 -1.25 -0.29 118.68 122.81 1x5p s LEU 43 Ca 0.05 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 52.99 1x5p s LEU 43 Cb -0.16 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.63 1x5p s LEU 43 CO -0.16 -0.27 -0.12 -0.55 -1.32 0.00 0.00 176.35 173.93 1x5p s SER 44 N 1.62 1.59 0.11 3.68 0.15 -1.06 -4.99 113.70 114.80 1x5p s SER 44 Ca -0.03 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.41 1x5p s SER 44 Cb -0.18 -0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 1x5p s SER 44 CO -0.07 0.09 0.05 -0.04 1.20 0.00 0.00 173.24 174.47 1x5p s MET 45 N 0.21 2.71 -0.37 5.44 -1.94 -1.26 -0.76 119.30 123.33 1x5p s MET 45 Ca -0.05 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.12 1x5p s MET 45 Cb -0.11 -2.60 0.12 0.00 2.01 0.00 0.00 34.83 34.25 1x5p s MET 45 CO 0.01 0.53 0.15 0.34 -0.01 0.00 0.00 175.02 176.05 1x5p s ASP 46 N -2.56 3.98 0.28 3.03 2.15 -0.24 -4.98 116.67 118.33 1x5p s ASP 46 Ca 0.28 -2.15 0.02 0.00 0.43 0.00 0.00 52.55 51.14 1x5p s ASP 46 Cb -0.11 -1.05 0.68 0.00 -0.30 0.00 0.00 42.92 42.13 1x5p s ASP 46 CO 0.21 -0.35 1.69 -0.65 -0.17 0.00 0.00 175.17 175.90 1x5p h PRO 47 N 7.43 0.35 -0.10 4.34 0.11 -1.95 0.32 132.00 142.50 1x5p h PRO 47 Ca -0.07 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.04 1x5p h PRO 47 Cb 0.98 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 1x5p h PRO 47 CO 0.49 0.23 -0.26 -1.35 -0.21 0.00 0.00 178.00 176.89 1x5p h PRO 48 N 0.36 -0.25 -0.46 1.05 0.11 -1.96 -1.51 132.00 129.34 1x5p h PRO 48 Ca 0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1x5p h PRO 48 Cb 1.00 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1x5p h PRO 48 CO -0.54 -0.17 0.00 0.54 -0.21 0.00 0.00 178.00 177.62 1x5p n ARG 49 N -3.95 2.08 -4.42 1.05 3.00 -1.04 -4.91 116.66 108.47 1x5p n ARG 49 Ca -0.03 -1.34 -0.37 0.00 -0.01 0.00 0.00 57.85 56.09 1x5p n ARG 49 Cb 0.18 -1.42 -0.08 0.00 0.00 0.00 0.00 32.46 31.14 1x5p n ARG 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1x5p n ASN 50 N 0.49 -0.86 -4.16 0.55 4.13 0.11 -4.87 115.26 110.64 1x5p n ASN 50 Ca 0.12 -1.23 -0.27 0.00 1.68 0.00 0.00 54.58 54.88 1x5p n ASN 50 Cb 0.40 -1.74 -0.06 0.00 -1.54 0.00 0.00 39.78 36.84 1x5p n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5p s ALA 52 N -2.73 -1.47 -0.32 0.00 0.00 0.13 -1.08 121.76 116.28 1x5p s ALA 52 Ca 0.01 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.12 1x5p s ALA 52 Cb 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 23.12 23.08 1x5p s ALA 52 CO 0.01 -0.33 0.01 -0.06 0.00 0.00 0.00 175.76 175.39 1x5p s PHE 53 N -1.01 3.62 -0.33 0.00 0.08 0.06 -0.03 117.98 120.37 1x5p s PHE 53 Ca -0.10 -2.79 -0.12 0.00 0.12 0.00 0.00 56.93 54.04 1x5p s PHE 53 Cb -0.02 -2.67 -0.01 0.00 -0.57 0.00 0.00 43.02 39.75 1x5p s PHE 53 CO 0.07 -0.93 0.21 0.08 -0.10 0.00 0.00 175.22 174.55 1x5p s VAL 54 N 0.97 5.02 -0.07 -0.44 1.01 -1.11 -2.58 120.40 123.20 1x5p s VAL 54 Ca 0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1x5p s VAL 54 Cb -0.19 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1x5p s VAL 54 CO -0.07 0.00 0.25 -0.89 0.00 0.00 0.00 175.10 174.39 1x5p s THR 55 N 1.68 5.32 -0.05 3.92 2.01 0.60 -2.35 115.64 126.77 1x5p s THR 55 Ca 0.05 0.46 -0.00 0.00 0.31 0.00 0.00 61.69 62.51 1x5p s THR 55 Cb -0.17 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1x5p s THR 55 CO 0.09 0.60 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.31 1x5p s TYR 56 N -1.02 3.11 0.65 4.92 2.02 -0.72 -2.66 117.35 123.64 1x5p s TYR 56 Ca 0.18 0.13 0.42 0.00 -0.37 0.00 0.00 57.07 57.43 1x5p s TYR 56 Cb -0.14 -1.73 2.26 0.00 -0.40 0.00 0.00 41.96 41.95 1x5p s TYR 56 CO 0.08 0.46 2.27 1.49 -1.57 0.00 0.00 175.55 178.27 1x5p h GLU 57 N 4.79 0.00 -5.29 -0.62 4.57 -1.85 -3.43 114.58 112.75 1x5p h GLU 57 Ca -0.50 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.23 1x5p h GLU 57 Cb 1.18 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.63 1x5p h GLU 57 CO 0.56 0.00 -0.65 0.15 -1.18 0.00 0.00 179.01 177.89 1x5p s LYS 58 N -4.13 1.51 0.26 1.92 1.02 -1.26 -5.05 119.74 114.02 1x5p s LYS 58 Ca -0.05 -1.79 0.21 0.00 0.02 0.00 0.00 55.97 54.37 1x5p s LYS 58 Cb 0.12 -0.90 0.09 0.00 -0.52 0.00 0.00 37.83 36.62 1x5p s LYS 58 CO 0.38 -0.07 1.22 0.00 -0.92 0.00 0.00 175.35 175.96 1x5p h MET 59 N 2.29 0.00 -0.46 1.68 -0.00 -1.83 -3.35 114.93 113.27 1x5p h MET 59 Ca -0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.30 1x5p h MET 59 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.81 1x5p h MET 59 CO 0.67 0.07 0.26 1.05 -0.00 0.00 0.00 176.91 178.96 1x5p h GLU 60 N 0.00 0.64 -0.16 -0.10 4.11 -1.97 -2.95 114.58 114.15 1x5p h GLU 60 Ca -0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1x5p h GLU 60 Cb 1.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1x5p h GLU 60 CO 0.01 0.49 0.10 0.77 0.07 0.00 0.00 179.01 180.45 1x5p h SER 61 N 0.61 0.16 -0.88 3.06 0.02 -1.91 -1.60 113.55 113.01 1x5p h SER 61 Ca 0.16 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1x5p h SER 61 Cb 0.04 -0.04 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 1x5p h SER 61 CO -0.03 0.12 -0.54 0.00 -1.14 0.00 0.00 176.83 175.25 1x5p h ALA 62 N 1.07 -0.51 -0.72 3.77 0.00 -1.66 0.44 119.26 121.64 1x5p h ALA 62 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1x5p h ALA 62 Cb -0.01 1.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1x5p h ALA 62 CO -0.02 -0.89 0.29 -0.44 0.00 0.00 0.00 179.25 178.18 1x5p h ASP 63 N -0.02 1.00 0.16 0.00 3.32 -1.53 -2.41 116.42 116.94 1x5p h ASP 63 Ca 0.14 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1x5p h ASP 63 Cb 0.38 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1x5p h ASP 63 CO -0.84 0.90 -0.14 1.56 -1.72 0.00 0.00 179.24 179.00 1x5p h GLN 64 N 1.04 -0.28 -0.27 3.56 4.20 0.34 -1.71 115.11 121.98 1x5p h GLN 64 Ca 0.24 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1x5p h GLN 64 Cb 0.22 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 1x5p h GLN 64 CO -0.02 -0.19 -0.55 0.00 -0.67 0.00 0.00 178.83 177.40 1x5p h ALA 65 N -1.54 -0.84 -0.20 3.87 0.00 -0.32 0.53 119.26 120.76 1x5p h ALA 65 Ca -0.02 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1x5p h ALA 65 Cb 0.25 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1x5p h ALA 65 CO -0.01 -1.08 0.65 0.28 0.00 0.00 0.00 179.25 179.09 1x5p h VAL 66 N -0.49 0.07 0.10 0.00 2.07 -1.42 1.86 116.25 118.43 1x5p h VAL 66 Ca 0.05 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.24 1x5p h VAL 66 Cb 0.64 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1x5p h VAL 66 CO -0.52 0.00 -1.82 0.00 0.02 0.00 0.00 177.57 175.25 1x5p h ALA 67 N 0.90 0.46 0.00 1.67 0.00 0.94 -3.31 119.26 119.92 1x5p h ALA 67 Ca 0.10 -1.34 -0.06 0.00 0.00 0.00 0.00 54.91 53.60 1x5p h ALA 67 Cb 1.39 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1x5p h ALA 67 CO -0.00 1.32 -1.09 0.39 0.00 0.00 0.00 179.25 179.87 1x5p n GLU 68 N -3.38 0.52 0.24 0.00 -0.58 0.21 -4.34 120.64 113.31 1x5p n GLU 68 Ca -0.25 0.30 0.12 0.00 -0.42 0.00 0.00 57.16 56.91 1x5p n GLU 68 Cb 1.05 -1.50 0.65 0.00 -0.57 0.00 0.00 31.44 31.07 1x5p n GLU 68 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1x5p h LEU 69 N -1.00 0.00 -9.22 -4.62 3.38 0.23 -3.35 115.31 100.73 1x5p h LEU 69 Ca -0.10 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.32 1x5p h LEU 69 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1x5p h LEU 69 CO -0.06 0.00 1.15 0.21 0.09 0.00 0.00 178.44 179.83 1x5p s ASN 70 N -4.07 6.49 -1.68 -0.43 2.47 -1.16 -2.14 114.94 114.43 1x5p s ASN 70 Ca -0.03 2.17 0.00 0.00 0.42 0.00 0.00 52.86 55.42 1x5p s ASN 70 Cb 0.07 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1x5p s ASN 70 CO 0.22 -1.08 0.00 0.61 -3.72 0.00 0.00 177.10 173.13 1x5p n GLY 71 N 4.41 1.53 3.85 1.21 0.00 -0.96 -4.96 105.19 110.27 1x5p n GLY 71 Ca 0.19 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1x5p n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x5p s THR 72 N -2.40 4.61 -0.49 2.61 -1.32 -0.91 -4.85 115.64 112.89 1x5p s THR 72 Ca 0.00 1.03 -0.01 0.00 -1.21 0.00 0.00 61.69 61.50 1x5p s THR 72 Cb 0.00 -3.70 0.13 0.00 -1.51 0.00 0.00 72.50 67.42 1x5p s THR 72 CO 0.00 -0.54 0.27 -1.58 -2.21 0.00 0.00 174.62 170.56 1x5p s GLN 73 N -3.79 2.12 -0.06 7.08 0.74 -1.26 -0.92 119.66 123.57 1x5p s GLN 73 Ca 0.56 -2.20 0.01 0.00 0.05 0.00 0.00 55.36 53.77 1x5p s GLN 73 Cb -0.10 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 1x5p s GLN 73 CO 0.28 -1.10 -0.05 0.14 -0.55 0.00 0.00 175.29 174.01 1x5p s VAL 74 N 0.46 3.83 -1.41 1.34 -7.23 -0.78 -4.50 120.40 112.11 1x5p s VAL 74 Ca 0.13 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1x5p s VAL 74 Cb -0.22 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1x5p s VAL 74 CO -0.04 0.57 0.00 -0.62 -0.31 0.00 0.00 175.10 174.70 1x5p n GLU 75 N 2.09 -1.93 -2.16 4.82 -0.58 -1.26 -0.22 120.64 121.40 1x5p n GLU 75 Ca -0.18 0.80 -0.12 0.00 -0.42 0.00 0.00 57.16 57.25 1x5p n GLU 75 Cb 0.53 -5.40 -0.01 0.00 -0.57 0.00 0.00 31.44 25.99 1x5p n GLU 75 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1x5p n SER 76 N -1.80 -3.79 -3.70 1.62 3.41 -1.26 -5.01 113.62 103.08 1x5p n SER 76 Ca -0.19 0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.21 1x5p n SER 76 Cb 0.64 -2.97 -0.18 0.00 -0.26 0.00 0.00 64.21 61.44 1x5p n SER 76 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1x5p s VAL 77 N -2.57 0.08 -0.32 -3.33 1.01 0.69 -5.05 120.40 110.91 1x5p s VAL 77 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1x5p s VAL 77 Cb 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1x5p s VAL 77 CO 0.00 0.16 1.46 -1.10 0.00 0.00 0.00 175.10 175.62 1x5p s GLN 78 N 2.09 3.72 -0.10 2.72 -0.21 -1.26 -1.87 119.66 124.75 1x5p s GLN 78 Ca 0.05 1.25 -0.05 0.00 0.02 0.00 0.00 55.36 56.63 1x5p s GLN 78 Cb -0.13 -3.99 -0.04 0.00 1.00 0.00 0.00 33.01 29.85 1x5p s GLN 78 CO -0.04 -1.38 0.09 -0.51 -2.12 0.00 0.00 175.29 171.33 1x5p s LEU 79 N 5.16 4.10 -0.31 2.90 1.43 -0.09 -4.64 118.68 127.23 1x5p s LEU 79 Ca 0.64 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 1x5p s LEU 79 Cb -0.18 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1x5p s LEU 79 CO 0.29 0.39 -0.01 -0.54 0.23 0.00 0.00 176.35 176.70 1x5p s LYS 80 N -1.06 2.04 0.00 1.70 1.02 -0.39 -2.28 119.74 120.78 1x5p s LYS 80 Ca 0.15 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.61 1x5p s LYS 80 Cb -0.12 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1x5p s LYS 80 CO 0.05 -0.74 0.08 0.08 -0.92 0.00 0.00 175.35 173.89 1x5p s VAL 81 N 1.08 4.67 0.05 3.17 1.01 -1.25 -0.21 120.40 128.92 1x5p s VAL 81 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1x5p s VAL 81 Cb -0.20 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1x5p s VAL 81 CO -0.05 0.33 0.21 0.21 0.00 0.00 0.00 175.10 175.79 1x5p s ASN 82 N -1.80 0.03 -0.80 3.32 3.84 0.99 -4.64 114.94 115.88 1x5p s ASN 82 Ca 0.23 -0.39 -0.25 0.00 0.21 0.00 0.00 52.86 52.66 1x5p s ASN 82 Cb -0.12 0.30 -0.01 0.00 -0.55 0.00 0.00 41.25 40.87 1x5p s ASN 82 CO 0.15 -0.59 1.73 -0.63 -2.79 0.00 0.00 177.10 174.97 1x5p s ILE 83 N -2.76 3.54 0.87 -5.21 -1.09 -1.26 0.27 121.20 115.57 1x5p s ILE 83 Ca -0.04 -0.12 -0.14 0.00 -2.23 0.00 0.00 60.65 58.12 1x5p s ILE 83 Cb -0.00 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1x5p s ILE 83 CO -0.05 -1.25 0.43 0.00 -1.23 0.00 0.00 174.94 172.84 1x5p n ALA 84 N 11.98 -2.25 -1.31 9.38 0.00 -1.25 -4.90 120.51 132.17 1x5p n ALA 84 Ca 0.27 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 53.05 1x5p n ALA 84 Cb 0.50 -1.81 0.18 0.00 0.00 0.00 0.00 19.45 18.32 1x5p n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x5p n ARG 85 N -1.27 2.13 -1.59 0.00 0.00 -1.26 -4.57 116.66 110.09 1x5p n ARG 85 Ca 0.08 -3.07 -0.33 0.00 -0.00 0.00 0.00 57.85 54.53 1x5p n ARG 85 Cb 0.52 -2.07 0.06 0.00 -0.00 0.00 0.00 32.46 30.97 1x5p n ARG 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x5p n LYS 86 N -1.14 2.94 -3.58 2.89 5.02 -1.26 -4.78 118.16 118.25 1x5p n LYS 86 Ca 0.52 -3.56 -0.27 0.00 -2.02 0.00 0.00 58.31 52.98 1x5p n LYS 86 Cb 1.47 -2.28 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 1x5p n LYS 86 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x5p n GLN 87 N -0.82 1.79 -0.16 1.97 3.00 -1.26 -4.93 117.38 116.97 1x5p n GLN 87 Ca 0.57 -4.27 -0.05 0.00 -0.01 0.00 0.00 57.00 53.24 1x5p n GLN 87 Cb 0.69 -2.09 0.04 0.00 0.00 0.00 0.00 30.24 28.88 1x5p n GLN 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1x5p n PRO 88 N 1.58 -1.37 -2.37 -1.09 -0.04 -1.26 -4.95 135.00 125.49 1x5p n PRO 88 Ca 0.25 -0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1x5p n PRO 88 Cb 0.41 -0.26 -0.03 0.00 -0.04 0.00 0.00 33.50 33.58 1x5p n PRO 88 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1x5p s MET 89 N -3.39 4.36 -0.33 0.54 1.75 -1.26 -4.92 119.30 116.05 1x5p s MET 89 Ca 0.11 1.81 -0.02 0.00 -1.25 0.00 0.00 55.69 56.34 1x5p s MET 89 Cb -0.01 -3.46 0.16 0.00 2.84 0.00 0.00 34.83 34.36 1x5p s MET 89 CO 0.09 -0.41 2.26 1.28 -0.65 0.00 0.00 175.02 177.59 1x5p n LEU 90 N 4.67 6.41 0.35 4.11 4.32 -1.26 -4.56 117.00 131.04 1x5p n LEU 90 Ca 0.11 -3.47 -0.14 0.00 -0.02 0.00 0.00 56.01 52.49 1x5p n LEU 90 Cb 0.45 -1.11 -0.07 0.00 -1.62 0.00 0.00 43.42 41.07 1x5p n LEU 90 CO 0.56 1.36 0.37 -0.78 -1.22 0.00 0.00 177.39 177.69 1x5p h ASP 91 N 1.89 -0.78 -4.47 -1.43 3.58 -2.04 -3.45 116.42 109.72 1x5p h ASP 91 Ca 0.31 0.03 -0.48 0.00 0.42 0.00 0.00 57.03 57.30 1x5p h ASP 91 Cb 0.89 0.20 0.09 0.00 1.72 0.00 0.00 39.33 42.23 1x5p h ASP 91 CO 0.76 -0.41 0.39 -0.94 -2.88 0.00 0.00 179.24 176.16 1x5p s SER 92 N -4.40 4.84 -0.39 2.28 1.04 -1.26 -5.06 113.70 110.75 1x5p s SER 92 Ca -0.13 1.03 0.03 0.00 0.48 0.00 0.00 55.95 57.35 1x5p s SER 92 Cb 0.01 -1.70 0.11 0.00 0.10 0.00 0.00 66.02 64.54 1x5p s SER 92 CO 0.40 -1.72 0.14 -0.83 0.98 0.00 0.00 173.24 172.21 1x5p s GLY 93 N -4.33 1.81 -0.92 7.32 0.00 -1.26 -5.06 107.32 104.88 1x5p s GLY 93 Ca 0.60 -2.51 -0.24 0.00 0.00 0.00 0.00 44.72 42.56 1x5p s GLY 93 CO 0.51 1.21 1.95 2.56 0.00 0.00 0.00 173.10 179.34 1x5p s PRO 94 N 0.71 2.55 -0.79 2.90 0.04 -1.26 -3.27 135.00 135.88 1x5p s PRO 94 Ca 0.13 -0.33 -0.05 0.00 0.04 0.00 0.00 61.00 60.80 1x5p s PRO 94 Cb -0.21 -5.07 0.01 0.00 0.04 0.00 0.00 34.50 29.26 1x5p s PRO 94 CO -0.09 -3.41 0.69 0.45 0.04 0.00 0.00 177.00 174.68 1x5p n SER 95 N 14.01 -4.29 -3.77 6.66 2.88 -1.26 -5.03 113.62 122.82 1x5p n SER 95 Ca 0.40 -0.33 -0.13 0.00 -1.33 0.00 0.00 58.87 57.49 1x5p n SER 95 Cb 0.47 -3.19 -0.11 0.00 -0.75 0.00 0.00 64.21 60.62 1x5p n SER 95 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5p s SER 96 N -3.27 -0.29 0.00 -3.46 1.04 -1.20 -5.33 113.70 101.18 1x5p s SER 96 Ca 0.31 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1x5p s SER 96 Cb -0.13 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1x5p s SER 96 CO 0.43 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.16