#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t h SER 2 N 0.00 0.00 -0.95 1.61 0.87 -2.00 -3.47 113.55 109.60 1x5t h SER 2 Ca 0.00 0.00 -0.77 0.00 -1.23 0.00 0.00 61.79 59.79 1x5t h SER 2 Cb 0.00 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1x5t h SER 2 CO 0.00 0.37 0.17 -1.20 -0.53 0.00 0.00 176.83 175.64 1x5t n SER 3 N -3.53 0.21 -0.19 6.23 7.64 -1.26 -3.66 113.62 119.06 1x5t n SER 3 Ca -0.03 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x5t n SER 3 Cb 0.11 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1x5t n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5t n GLY 4 N 1.88 0.67 2.90 0.23 0.00 -1.26 -5.12 105.19 104.48 1x5t n GLY 4 Ca 0.21 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1x5t n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5t s SER 5 N -1.66 0.86 -0.79 1.61 0.15 -1.24 -5.07 113.70 107.55 1x5t s SER 5 Ca 0.00 -0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.24 1x5t s SER 5 Cb 0.00 -0.38 -0.16 0.00 -1.71 0.00 0.00 66.02 63.77 1x5t s SER 5 CO 0.00 -0.04 2.58 -1.54 1.20 0.00 0.00 173.24 175.45 1x5t n SER 6 N 3.87 1.12 -4.88 5.45 3.41 -1.26 -4.84 113.62 116.49 1x5t n SER 6 Ca -0.24 -0.11 -0.30 0.00 -0.26 0.00 0.00 58.87 57.96 1x5t n SER 6 Cb 0.52 -1.19 0.03 0.00 -0.26 0.00 0.00 64.21 63.30 1x5t n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5t s GLY 7 N 10.33 1.63 0.05 5.00 0.00 -1.26 -4.19 107.32 118.89 1x5t s GLY 7 Ca 1.20 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 45.73 1x5t s GLY 7 CO 0.40 0.05 -0.23 -0.26 0.00 0.00 0.00 173.10 173.05 1x5t s ILE 8 N -3.26 1.90 -0.15 0.90 -4.36 0.38 -3.33 121.20 113.29 1x5t s ILE 8 Ca 0.56 -1.33 -0.06 0.00 -0.26 0.00 0.00 60.65 59.57 1x5t s ILE 8 Cb -0.11 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 1x5t s ILE 8 CO 0.52 0.25 0.06 0.12 0.24 0.00 0.00 174.94 176.13 1x5t s PHE 9 N -0.83 3.29 0.02 1.37 5.36 -0.16 -2.20 117.98 124.82 1x5t s PHE 9 Ca 0.10 0.18 0.06 0.00 -0.96 0.00 0.00 56.93 56.30 1x5t s PHE 9 Cb -0.09 -1.98 -0.02 0.00 -0.34 0.00 0.00 43.02 40.59 1x5t s PHE 9 CO 0.02 0.34 -0.17 0.42 -1.46 0.00 0.00 175.22 174.37 1x5t s ILE 10 N -0.21 1.38 0.05 3.12 1.01 -0.56 -1.75 121.20 124.24 1x5t s ILE 10 Ca 0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 1x5t s ILE 10 Cb -0.12 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1x5t s ILE 10 CO 0.01 0.24 -0.00 -0.83 0.00 0.00 0.00 174.94 174.36 1x5t s GLY 11 N -0.80 0.42 -0.48 6.18 0.00 -1.12 -1.03 107.32 110.49 1x5t s GLY 11 Ca 0.06 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 1x5t s GLY 11 CO 0.01 -1.25 0.40 -2.01 0.00 0.00 0.00 173.10 170.25 1x5t n ASN 12 N 0.12 -2.15 -4.87 1.64 5.15 0.80 -2.10 115.26 113.84 1x5t n ASN 12 Ca -0.14 -0.24 -0.35 0.00 -0.60 0.00 0.00 54.58 53.24 1x5t n ASN 12 Cb 0.61 -2.34 -0.06 0.00 -0.53 0.00 0.00 39.78 37.47 1x5t n ASN 12 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x5t s LEU 13 N -3.72 4.39 0.31 1.20 1.43 0.24 -4.02 118.68 118.51 1x5t s LEU 13 Ca 0.02 0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 53.53 1x5t s LEU 13 Cb -0.01 -2.70 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 1x5t s LEU 13 CO 0.29 0.26 1.23 -0.62 0.23 0.00 0.00 176.35 177.74 1x5t s ASP 14 N -1.53 6.96 0.00 2.29 2.15 -1.26 -4.62 116.67 120.65 1x5t s ASP 14 Ca 0.27 2.52 0.15 0.00 0.43 0.00 0.00 52.55 55.93 1x5t s ASP 14 Cb -0.14 -2.64 0.90 0.00 -0.30 0.00 0.00 42.92 40.74 1x5t s ASP 14 CO 0.15 -0.39 1.36 -0.81 -0.17 0.00 0.00 175.17 175.31 1x5t n PRO 15 N 1.01 0.44 0.02 4.34 -0.04 -1.26 -2.01 135.00 137.50 1x5t n PRO 15 Ca -0.00 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1x5t n PRO 15 Cb 0.43 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 1x5t n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x5t n GLU 16 N -1.05 0.59 -2.34 0.54 -0.58 -1.26 -4.95 120.64 111.58 1x5t n GLU 16 Ca 0.11 -0.10 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 1x5t n GLU 16 Cb 0.07 -1.59 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1x5t s ILE 17 N -3.44 3.37 0.10 -3.67 1.01 -0.85 -5.06 121.20 112.65 1x5t s ILE 17 Ca -0.05 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.49 1x5t s ILE 17 Cb 0.13 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1x5t s ILE 17 CO 0.87 -0.19 -0.10 1.51 0.00 0.00 0.00 174.94 177.03 1x5t s ASP 18 N -1.85 1.52 0.21 3.58 1.47 -1.26 -5.01 116.67 115.33 1x5t s ASP 18 Ca 0.71 -0.83 -0.11 0.00 1.18 0.00 0.00 52.55 53.50 1x5t s ASP 18 Cb -0.21 0.00 0.29 0.00 -0.34 0.00 0.00 42.92 42.66 1x5t s ASP 18 CO 0.25 -0.26 1.30 -0.62 0.68 0.00 0.00 175.17 176.51 1x5t n GLU 19 N 0.49 -0.14 -0.14 2.11 1.02 -1.26 -0.26 120.64 122.46 1x5t n GLU 19 Ca -0.15 1.29 -0.13 0.00 -0.02 0.00 0.00 57.16 58.15 1x5t n GLU 19 Cb 0.58 -1.92 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 1x5t n GLU 19 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1x5t h LYS 20 N 0.00 -0.34 0.10 3.49 6.56 -1.98 -0.08 116.57 124.32 1x5t h LYS 20 Ca 0.34 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1x5t h LYS 20 Cb 0.55 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1x5t h LYS 20 CO -0.84 -0.22 -0.20 1.25 -2.06 0.00 0.00 179.45 177.38 1x5t h LEU 21 N -0.35 -0.57 -0.84 2.94 5.85 -1.04 -2.69 115.31 118.61 1x5t h LEU 21 Ca 0.07 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1x5t h LEU 21 Cb 0.54 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.64 1x5t h LEU 21 CO -0.56 -0.22 -0.36 0.18 -0.34 0.00 0.00 178.44 177.14 1x5t n LEU 22 N -3.54 -0.60 -0.18 2.25 4.77 -0.79 -0.18 117.00 118.72 1x5t n LEU 22 Ca -0.04 1.48 -0.12 0.00 -0.03 0.00 0.00 56.01 57.30 1x5t n LEU 22 Cb 0.16 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1x5t n LEU 22 CO 0.07 -1.31 0.49 0.22 -1.33 0.00 0.00 177.39 175.54 1x5t h TYR 23 N 0.00 -1.61 0.37 -1.77 5.03 -0.71 0.10 116.97 118.38 1x5t h TYR 23 Ca 0.27 0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.65 1x5t h TYR 23 Cb 0.48 0.77 0.00 0.00 1.55 0.00 0.00 36.73 39.53 1x5t h TYR 23 CO -0.76 -0.43 -0.19 -0.44 -1.32 0.00 0.00 178.16 175.02 1x5t h ASP 24 N -0.30 -0.46 -1.05 -2.11 5.19 -0.42 1.02 116.42 118.29 1x5t h ASP 24 Ca 0.08 0.02 0.34 0.00 -0.62 0.00 0.00 57.03 56.85 1x5t h ASP 24 Cb 0.52 0.12 -0.14 0.00 0.18 0.00 0.00 39.33 40.01 1x5t h ASP 24 CO -0.61 -0.32 0.62 0.74 -3.12 0.00 0.00 179.24 176.55 1x5t h THR 25 N -0.52 0.27 0.00 0.35 2.02 0.09 1.04 112.91 116.17 1x5t h THR 25 Ca -0.05 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1x5t h THR 25 Cb 0.40 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1x5t h THR 25 CO 0.07 0.05 -0.92 0.49 0.37 0.00 0.00 175.52 175.58 1x5t n PHE 26 N -4.98 0.02 -0.06 3.16 3.01 0.29 -4.23 117.46 114.67 1x5t n PHE 26 Ca 0.33 0.01 -0.10 0.00 1.01 0.00 0.00 57.45 58.69 1x5t n PHE 26 Cb 1.07 -0.11 0.04 0.00 -0.01 0.00 0.00 39.48 40.47 1x5t n PHE 26 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5t h SER 27 N 0.00 0.80 -0.52 4.37 0.87 0.95 -3.02 113.55 116.99 1x5t h SER 27 Ca 0.00 -0.36 0.11 0.00 -1.23 0.00 0.00 61.79 60.31 1x5t h SER 27 Cb 0.53 -0.22 -0.10 0.00 -0.44 0.00 0.00 62.40 62.17 1x5t h SER 27 CO 0.00 1.09 -0.18 0.00 -0.53 0.00 0.00 176.83 177.21 1x5t h ALA 28 N 0.94 0.25 0.53 6.23 0.00 -1.56 -2.89 119.26 122.77 1x5t h ALA 28 Ca 0.05 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1x5t h ALA 28 Cb 0.93 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1x5t h ALA 28 CO 0.09 -0.50 -0.26 0.74 0.00 0.00 0.00 179.25 179.32 1x5t h PHE 29 N -0.06 -0.66 -4.63 0.00 0.04 -1.81 -3.47 116.94 106.34 1x5t h PHE 29 Ca 0.25 -0.02 -0.38 0.00 2.80 0.00 0.00 57.97 60.62 1x5t h PHE 29 Cb 0.44 0.22 -0.14 0.00 2.20 0.00 0.00 35.95 38.67 1x5t h PHE 29 CO -0.48 -0.41 -0.55 0.20 -0.60 0.00 0.00 178.31 176.47 1x5t s GLY 30 N -1.90 1.99 -0.10 -1.45 0.00 -1.09 -4.93 107.32 99.83 1x5t s GLY 30 Ca -0.10 -1.89 -0.22 0.00 0.00 0.00 0.00 44.72 42.51 1x5t s GLY 30 CO 0.31 -1.47 0.64 0.14 0.00 0.00 0.00 173.10 172.73 1x5t s VAL 31 N -3.72 5.07 0.23 1.40 1.01 -1.26 -3.93 120.40 119.20 1x5t s VAL 31 Ca 0.39 1.30 -0.27 0.00 0.00 0.00 0.00 61.98 63.40 1x5t s VAL 31 Cb 0.04 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1x5t s VAL 31 CO 0.21 0.24 0.88 -0.63 0.00 0.00 0.00 175.10 175.79 1x5t s ILE 32 N 0.97 4.22 0.04 2.22 1.01 -1.26 -1.09 121.20 127.31 1x5t s ILE 32 Ca 0.34 1.87 -0.22 0.00 0.00 0.00 0.00 60.65 62.63 1x5t s ILE 32 Cb -0.17 -4.18 -0.14 0.00 0.01 0.00 0.00 42.46 37.98 1x5t s ILE 32 CO 0.15 0.42 1.45 -0.07 0.00 0.00 0.00 174.94 176.88 1x5t h LEU 33 N 3.96 0.19 -7.12 2.97 3.38 -1.76 -3.45 115.31 113.47 1x5t h LEU 33 Ca -0.46 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.14 1x5t h LEU 33 Cb 1.20 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 1x5t h LEU 33 CO 0.67 0.48 0.11 -1.10 0.09 0.00 0.00 178.44 178.69 1x5t s GLN 34 N -4.87 1.17 0.10 1.13 -0.21 -1.26 -5.08 119.66 110.63 1x5t s GLN 34 Ca -0.14 -0.42 -0.25 0.00 0.02 0.00 0.00 55.36 54.56 1x5t s GLN 34 Cb 0.05 0.54 -0.14 0.00 1.00 0.00 0.00 33.01 34.45 1x5t s GLN 34 CO 0.70 -0.48 0.55 2.41 -2.12 0.00 0.00 175.29 176.36 1x5t n THR 35 N -0.10 0.98 -1.22 -0.19 -1.04 -1.26 -4.78 114.28 106.65 1x5t n THR 35 Ca -0.17 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.05 61.29 1x5t n THR 35 Cb 0.63 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.27 1x5t n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1x5t s PRO 36 N -0.49 1.55 -0.12 -2.82 0.04 -1.26 -4.98 135.00 126.92 1x5t s PRO 36 Ca 0.57 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1x5t s PRO 36 Cb -0.81 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1x5t s PRO 36 CO 0.43 -2.06 -0.17 0.15 0.04 0.00 0.00 177.00 175.39 1x5t s LYS 37 N -4.93 3.25 -0.21 4.56 -0.14 -0.78 -4.96 119.74 116.54 1x5t s LYS 37 Ca 0.63 -0.76 -0.01 0.00 -1.36 0.00 0.00 55.97 54.47 1x5t s LYS 37 Cb -0.18 -2.51 0.01 0.00 -1.68 0.00 0.00 37.83 33.47 1x5t s LYS 37 CO 0.57 0.18 -0.13 0.42 -0.76 0.00 0.00 175.35 175.63 1x5t s ILE 38 N 0.41 2.61 0.22 2.17 1.01 -1.26 -1.35 121.20 125.00 1x5t s ILE 38 Ca -0.13 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1x5t s ILE 38 Cb -0.17 -2.18 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 1x5t s ILE 38 CO 0.06 0.43 1.07 -0.04 0.00 0.00 0.00 174.94 176.46 1x5t s MET 39 N 1.35 4.65 0.11 2.79 -1.94 -1.20 -5.01 119.30 120.05 1x5t s MET 39 Ca 0.04 1.71 0.09 0.00 -1.71 0.00 0.00 55.69 55.82 1x5t s MET 39 Cb -0.14 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 1x5t s MET 39 CO -0.08 0.20 -0.23 1.03 -0.01 0.00 0.00 175.02 175.92 1x5t s ARG 40 N -0.87 1.22 0.26 2.03 3.00 -1.26 -2.43 118.95 120.90 1x5t s ARG 40 Ca 0.46 -1.22 -0.28 0.00 0.00 0.00 0.00 55.73 54.69 1x5t s ARG 40 Cb -0.30 -1.57 -0.15 0.00 0.00 0.00 0.00 34.95 32.94 1x5t s ARG 40 CO 0.37 0.37 0.91 -0.25 0.00 0.00 0.00 175.30 176.70 1x5t n ASP 41 N 1.04 0.74 0.00 0.23 8.00 -1.26 -4.73 116.55 120.57 1x5t n ASP 41 Ca -0.19 1.17 0.05 0.00 0.71 0.00 0.00 54.79 56.53 1x5t n ASP 41 Cb 0.53 -1.21 0.31 0.00 -0.02 0.00 0.00 41.12 40.73 1x5t n ASP 41 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1x5t n PRO 42 N 0.86 0.49 0.00 -0.24 -0.04 -1.26 -0.52 135.00 134.29 1x5t n PRO 42 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1x5t n PRO 42 Cb 0.30 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x5t n ASP 43 N -0.83 0.00 0.02 3.54 8.00 -1.26 -4.77 116.55 121.24 1x5t n ASP 43 Ca 0.08 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.69 1x5t n ASP 43 Cb 0.04 -0.07 0.49 0.00 -0.02 0.00 0.00 41.12 41.56 1x5t n ASP 43 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1x5t n THR 44 N -2.03 0.43 -4.10 -3.53 -2.24 -1.25 -4.90 114.28 96.65 1x5t n THR 44 Ca 0.00 0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1x5t n THR 44 Cb 0.00 -0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 67.44 1x5t n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5t n GLY 45 N 0.91 -0.15 0.59 3.38 0.00 0.32 -4.80 105.19 105.43 1x5t n GLY 45 Ca 0.05 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1x5t n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5t n ASN 46 N -2.39 1.29 -3.61 1.61 5.15 -1.26 -4.83 115.26 111.21 1x5t n ASN 46 Ca -0.21 0.21 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 1x5t n ASN 46 Cb 0.57 -0.48 -0.05 0.00 -0.53 0.00 0.00 39.78 39.29 1x5t n ASN 46 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x5t s SER 47 N -6.06 -0.23 -0.07 1.20 1.04 -1.26 -4.84 113.70 103.48 1x5t s SER 47 Ca -0.16 0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 1x5t s SER 47 Cb 0.04 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1x5t s SER 47 CO 0.22 -0.18 -0.17 0.29 0.98 0.00 0.00 173.24 174.38 1x5t n LYS 48 N 0.89 0.26 0.00 4.02 5.02 -1.02 -4.04 118.16 123.29 1x5t n LYS 48 Ca -0.07 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1x5t n LYS 48 Cb 0.58 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 1x5t n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x5t n GLY 49 N 2.40 0.72 3.36 0.72 0.00 -1.26 -4.97 105.19 106.17 1x5t n GLY 49 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1x5t n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5t s TYR 50 N 0.00 2.61 0.04 1.61 -0.85 -1.26 -0.14 117.35 119.36 1x5t s TYR 50 Ca 0.00 -0.52 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 1x5t s TYR 50 Cb 0.00 -1.67 -0.02 0.00 0.38 0.00 0.00 41.96 40.65 1x5t s TYR 50 CO 0.00 -0.09 -0.08 0.00 -1.52 0.00 0.00 175.55 173.86 1x5t s ALA 51 N -0.22 0.63 -0.10 9.51 0.00 -0.20 -3.28 121.76 128.10 1x5t s ALA 51 Ca -0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1x5t s ALA 51 Cb -0.13 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1x5t s ALA 51 CO 0.03 0.01 -0.05 -0.06 0.00 0.00 0.00 175.76 175.69 1x5t s PHE 52 N -1.31 3.00 -0.01 0.00 0.40 -0.46 -1.49 117.98 118.11 1x5t s PHE 52 Ca -0.09 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1x5t s PHE 52 Cb -0.10 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.63 1x5t s PHE 52 CO 0.01 0.21 0.03 0.42 0.70 0.00 0.00 175.22 176.59 1x5t s ILE 53 N -0.38 -0.01 -0.05 0.64 1.01 -0.93 -1.86 121.20 119.61 1x5t s ILE 53 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.77 1x5t s ILE 53 Cb -0.12 -0.06 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1x5t s ILE 53 CO 0.02 0.02 -0.10 0.20 0.00 0.00 0.00 174.94 175.08 1x5t s ASN 54 N 0.21 4.37 0.46 3.58 -0.87 -1.26 -0.47 114.94 120.97 1x5t s ASN 54 Ca -0.02 -0.12 0.08 0.00 -1.57 0.00 0.00 52.86 51.23 1x5t s ASN 54 Cb -0.02 -1.01 0.02 0.00 -0.02 0.00 0.00 41.25 40.21 1x5t s ASN 54 CO -0.01 0.34 0.53 -0.36 -2.57 0.00 0.00 177.10 175.03 1x5t s PHE 55 N -0.81 2.36 0.08 2.20 0.40 -1.26 -2.89 117.98 118.06 1x5t s PHE 55 Ca 0.13 -0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 55.73 1x5t s PHE 55 Cb -0.11 -2.22 -0.08 0.00 0.51 0.00 0.00 43.02 41.12 1x5t s PHE 55 CO 0.02 -0.47 1.51 0.00 0.70 0.00 0.00 175.22 176.99 1x5t h ALA 56 N 0.70 0.34 -4.24 5.36 0.00 -1.43 -3.41 119.26 116.59 1x5t h ALA 56 Ca -0.38 -0.23 -0.33 0.00 0.00 0.00 0.00 54.91 53.97 1x5t h ALA 56 Cb 1.28 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1x5t h ALA 56 CO 0.50 0.09 -0.27 0.45 0.00 0.00 0.00 179.25 180.02 1x5t n SER 57 N -4.61 -0.85 -0.00 0.00 2.88 -1.26 -4.95 113.62 104.83 1x5t n SER 57 Ca -0.04 -2.74 -0.13 0.00 -1.33 0.00 0.00 58.87 54.63 1x5t n SER 57 Cb 0.26 1.76 -0.09 0.00 -0.75 0.00 0.00 64.21 65.38 1x5t n SER 57 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1x5t h PHE 58 N 1.89 -0.01 -0.87 0.66 -1.00 -1.91 -3.14 116.94 112.55 1x5t h PHE 58 Ca -0.21 -0.00 0.21 0.00 2.81 0.00 0.00 57.97 60.78 1x5t h PHE 58 Cb 1.01 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.42 1x5t h PHE 58 CO 0.00 0.41 0.02 -0.44 -1.61 0.00 0.00 178.31 176.69 1x5t h ASP 59 N -0.44 -0.40 0.07 2.17 3.32 -1.99 0.25 116.42 119.40 1x5t h ASP 59 Ca -0.00 0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1x5t h ASP 59 Cb 0.43 0.41 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1x5t h ASP 59 CO 0.00 -0.25 -0.17 0.00 -1.72 0.00 0.00 179.24 177.10 1x5t h ALA 60 N 1.83 -0.27 0.17 3.45 0.00 -1.91 -2.69 119.26 119.84 1x5t h ALA 60 Ca 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1x5t h ALA 60 Cb 0.94 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x5t h ALA 60 CO -0.78 -0.69 -0.08 0.66 0.00 0.00 0.00 179.25 178.36 1x5t h SER 61 N -0.32 -0.19 -0.98 0.00 4.64 -0.82 -2.65 113.55 113.23 1x5t h SER 61 Ca 0.03 -0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.68 1x5t h SER 61 Cb 0.35 0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 62.32 1x5t h SER 61 CO -0.11 -0.13 0.33 -0.78 -0.87 0.00 0.00 176.83 175.27 1x5t h ASP 62 N -0.24 0.03 -0.71 4.97 3.58 -0.48 0.99 116.42 124.57 1x5t h ASP 62 Ca -0.02 0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1x5t h ASP 62 Cb 0.18 0.33 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1x5t h ASP 62 CO 0.04 -0.34 0.41 0.00 -2.88 0.00 0.00 179.24 176.47 1x5t h ALA 63 N 1.95 0.90 0.22 -0.78 0.00 -1.14 -2.43 119.26 117.98 1x5t h ALA 63 Ca 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1x5t h ALA 63 Cb 1.69 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1x5t h ALA 63 CO -0.79 0.39 -0.11 0.00 0.00 0.00 0.00 179.25 178.75 1x5t h ALA 64 N 1.21 -0.30 -0.13 0.00 0.00 0.87 -2.54 119.26 118.37 1x5t h ALA 64 Ca 0.25 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1x5t h ALA 64 Cb -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1x5t h ALA 64 CO -0.04 -0.32 0.71 0.82 0.00 0.00 0.00 179.25 180.42 1x5t h ILE 65 N -1.01 0.03 0.00 0.00 2.04 -0.48 0.88 117.51 118.97 1x5t h ILE 65 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1x5t h ILE 65 Cb 0.41 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1x5t h ILE 65 CO 0.05 0.00 -0.46 -0.08 0.00 0.00 0.00 178.15 177.66 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.22 -1.42 -3.33 114.58 116.42 1x5t h GLU 66 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1x5t h GLU 66 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1x5t h GLU 66 CO -0.00 0.16 -0.02 0.00 -2.18 0.00 0.00 179.01 176.97 1x5t h ALA 67 N -0.90 0.00 -1.34 2.92 0.00 -0.69 -3.32 119.26 115.93 1x5t h ALA 67 Ca -0.04 -0.03 0.39 0.00 0.00 0.00 0.00 54.91 55.23 1x5t h ALA 67 Cb 0.51 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1x5t h ALA 67 CO -0.03 0.02 0.99 0.52 0.00 0.00 0.00 179.25 180.76 1x5t h MET 68 N -0.92 0.00 -5.06 0.00 2.86 0.51 -3.21 114.93 109.10 1x5t h MET 68 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1x5t h MET 68 Cb 0.02 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.70 1x5t h MET 68 CO 0.00 0.00 0.25 -1.71 1.06 0.00 0.00 176.91 176.51 1x5t n ASN 69 N -4.07 1.02 0.00 1.22 2.85 -1.06 -0.86 115.26 114.36 1x5t n ASN 69 Ca 0.29 -2.39 0.00 0.00 -0.11 0.00 0.00 54.58 52.37 1x5t n ASN 69 Cb 1.42 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.96 1x5t n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5t n GLY 70 N 5.85 2.27 2.67 8.20 0.00 -0.83 -4.86 105.19 118.48 1x5t n GLY 70 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 1x5t n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5t n GLN 71 N -0.22 0.00 -2.53 1.61 1.13 -0.04 -4.32 117.38 113.01 1x5t n GLN 71 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1x5t n GLN 71 Cb 0.00 -0.97 -0.03 0.00 0.11 0.00 0.00 30.24 29.36 1x5t n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1x5t s TYR 72 N -0.39 2.47 0.62 1.08 5.04 -1.26 -2.68 117.35 122.23 1x5t s TYR 72 Ca 0.60 0.34 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 1x5t s TYR 72 Cb -0.85 -4.51 0.08 0.00 0.35 0.00 0.00 41.96 37.03 1x5t s TYR 72 CO 0.44 -1.77 0.85 -1.17 -1.34 0.00 0.00 175.55 172.56 1x5t s LEU 73 N 5.36 3.14 -0.41 6.97 2.96 -0.75 -4.85 118.68 131.10 1x5t s LEU 73 Ca 0.43 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1x5t s LEU 73 Cb -0.08 -2.20 -0.13 0.00 0.50 0.00 0.00 46.19 44.27 1x5t s LEU 73 CO 0.23 -1.46 0.91 0.00 -1.32 0.00 0.00 176.35 174.71 1x5t n ASN 75 N 2.51 0.71 -3.20 0.00 3.02 -1.26 -4.56 115.26 112.48 1x5t n ASN 75 Ca 0.28 -0.97 0.04 0.00 -0.03 0.00 0.00 54.58 53.90 1x5t n ASN 75 Cb 0.05 -1.21 -0.02 0.00 -0.61 0.00 0.00 39.78 37.99 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x5t s ARG 76 N -6.33 0.26 -0.34 3.52 0.52 0.20 -4.98 118.95 111.79 1x5t s ARG 76 Ca 0.00 0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 55.42 1x5t s ARG 76 Cb -0.00 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.74 1x5t s ARG 76 CO 0.76 -0.24 1.69 -1.25 0.02 0.00 0.00 175.30 176.28 1x5t s PRO 77 N 2.82 3.43 0.59 3.54 0.04 -1.26 -1.82 135.00 142.34 1x5t s PRO 77 Ca 0.02 1.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 1x5t s PRO 77 Cb -0.10 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.28 1x5t s PRO 77 CO -0.14 -1.74 0.93 0.96 0.04 0.00 0.00 177.00 177.05 1x5t s ILE 78 N 6.40 4.22 -0.14 0.56 -4.36 -1.09 -4.68 121.20 122.11 1x5t s ILE 78 Ca 0.75 0.35 -0.02 0.00 -0.26 0.00 0.00 60.65 61.46 1x5t s ILE 78 Cb -0.20 -3.67 0.05 0.00 1.25 0.00 0.00 42.46 39.88 1x5t s ILE 78 CO 0.33 -0.76 0.02 0.42 0.24 0.00 0.00 174.94 175.19 1x5t s THR 79 N -3.03 0.48 -0.07 8.37 -4.23 -0.89 -1.97 115.64 114.29 1x5t s THR 79 Ca 0.53 -0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 1x5t s THR 79 Cb -0.11 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.85 1x5t s THR 79 CO 0.48 -0.01 0.28 -0.69 -0.54 0.00 0.00 174.62 174.14 1x5t s VAL 80 N 1.90 5.27 -0.28 2.29 1.01 -1.26 -2.80 120.40 126.54 1x5t s VAL 80 Ca 0.02 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 1x5t s VAL 80 Cb -0.15 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.78 1x5t s VAL 80 CO -0.07 0.57 0.93 -0.94 0.00 0.00 0.00 175.10 175.59 1x5t s SER 81 N -0.87 -0.57 0.07 3.32 1.04 -0.72 -4.68 113.70 111.30 1x5t s SER 81 Ca 0.19 1.03 -0.36 0.00 0.48 0.00 0.00 55.95 57.29 1x5t s SER 81 Cb -0.14 1.10 -0.16 0.00 0.10 0.00 0.00 66.02 66.92 1x5t s SER 81 CO 0.08 -0.17 1.46 -1.22 0.98 0.00 0.00 173.24 174.37 1x5t n TYR 82 N 2.79 1.80 0.07 5.02 4.01 -1.26 -0.99 117.16 128.61 1x5t n TYR 82 Ca -0.15 0.50 0.01 0.00 -0.16 0.00 0.00 57.90 58.10 1x5t n TYR 82 Cb 0.56 -2.41 0.34 0.00 -0.31 0.00 0.00 39.34 37.52 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t h ALA 83 N 5.35 1.41 -1.12 -0.72 0.00 -1.86 -3.35 119.26 118.97 1x5t h ALA 83 Ca -0.47 -0.23 -0.69 0.00 0.00 0.00 0.00 54.91 53.53 1x5t h ALA 83 Cb 1.31 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1x5t h ALA 83 CO 0.83 0.41 1.90 -0.06 0.00 0.00 0.00 179.25 182.33 1x5t s PHE 84 N -4.75 2.94 0.21 0.00 0.08 -1.26 -4.83 117.98 110.38 1x5t s PHE 84 Ca -0.06 -1.68 -0.12 0.00 0.12 0.00 0.00 56.93 55.19 1x5t s PHE 84 Cb 0.15 -4.63 0.27 0.00 -0.57 0.00 0.00 43.02 38.24 1x5t s PHE 84 CO 0.75 -1.71 1.63 -0.22 -0.10 0.00 0.00 175.22 175.57 1x5t h LYS 85 N 7.70 0.02 -6.74 0.44 3.64 -1.98 -3.41 116.57 116.24 1x5t h LYS 85 Ca 0.39 -0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 59.30 1x5t h LYS 85 Cb 0.89 -0.01 0.23 0.00 -0.41 0.00 0.00 32.23 32.93 1x5t h LYS 85 CO 1.39 0.01 -0.90 1.63 -2.27 0.00 0.00 179.45 179.31 1x5t n LYS 86 N -5.41 -1.53 -0.03 1.90 5.02 -1.26 -5.00 118.16 111.86 1x5t n LYS 86 Ca 0.08 -0.42 -0.07 0.00 -2.02 0.00 0.00 58.31 55.88 1x5t n LYS 86 Cb 0.35 -1.77 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 1x5t n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x5t n ASP 87 N -1.99 0.78 -3.14 4.39 -0.08 -1.26 -5.04 116.55 110.20 1x5t n ASP 87 Ca 0.02 0.13 -0.18 0.00 -1.51 0.00 0.00 54.79 53.24 1x5t n ASP 87 Cb 0.60 -0.30 0.07 0.00 2.34 0.00 0.00 41.12 43.84 1x5t n ASP 87 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1x5t n SER 88 N -3.48 -4.25 -4.26 1.67 2.88 -1.26 -5.02 113.62 99.90 1x5t n SER 88 Ca -0.13 -0.49 -0.14 0.00 -1.33 0.00 0.00 58.87 56.77 1x5t n SER 88 Cb 0.49 -4.45 -0.10 0.00 -0.75 0.00 0.00 64.21 59.40 1x5t n SER 88 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1x5t s LYS 89 N -5.74 1.17 0.00 -1.46 -2.85 -1.26 -5.15 119.74 104.44 1x5t s LYS 89 Ca 0.30 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 1x5t s LYS 89 Cb -0.13 -0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.34 1x5t s LYS 89 CO 0.63 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 176.34 1x5t n GLY 90 N -0.29 -2.09 3.57 0.59 0.00 -1.26 -5.18 105.19 100.54 1x5t n GLY 90 Ca -0.06 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1x5t n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5t s SER 91 N -0.18 -0.43 0.15 1.61 0.15 -1.26 -5.19 113.70 108.55 1x5t s SER 91 Ca 0.00 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.43 1x5t s SER 91 Cb 0.00 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1x5t s SER 91 CO 0.00 -1.10 -0.07 -0.83 1.20 0.00 0.00 173.24 172.44 1x5t s GLY 92 N -2.82 1.08 -0.02 9.45 0.00 -1.26 -5.12 107.32 108.64 1x5t s GLY 92 Ca 0.05 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 1x5t s GLY 92 CO -0.06 -1.57 1.46 2.56 0.00 0.00 0.00 173.10 175.50 1x5t s PRO 93 N -3.80 4.25 0.21 2.90 0.04 -1.26 -4.92 135.00 132.42 1x5t s PRO 93 Ca 0.18 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1x5t s PRO 93 Cb 0.04 -3.67 0.16 0.00 0.04 0.00 0.00 34.50 31.07 1x5t s PRO 93 CO 0.01 -0.65 1.56 0.66 0.04 0.00 0.00 177.00 178.61 1x5t h SER 94 N 8.22 0.65 0.03 6.66 4.64 -2.08 -3.31 113.55 128.36 1x5t h SER 94 Ca -0.38 -0.30 -0.30 0.00 -0.47 0.00 0.00 61.79 60.34 1x5t h SER 94 Cb 1.17 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1x5t h SER 94 CO 0.92 1.00 -1.66 -1.20 -0.87 0.00 0.00 176.83 175.02 1x5t n SER 95 N -4.01 1.95 0.00 4.97 7.64 -1.26 -5.37 113.62 117.53 1x5t n SER 95 Ca -0.02 0.33 0.12 0.00 1.01 0.00 0.00 58.87 60.31 1x5t n SER 95 Cb 0.54 -0.90 0.72 0.00 -1.01 0.00 0.00 64.21 63.56 1x5t n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64