#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 6.06 0.10 1.61 0.01 -1.26 -5.06 113.70 115.17 1x5p s SER 2 Ca 0.00 -1.72 0.09 0.00 1.31 0.00 0.00 55.95 55.63 1x5p s SER 2 Cb 0.00 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1x5p s SER 2 CO 0.00 -0.78 -0.20 -0.44 0.41 0.00 0.00 173.24 172.23 1x5p s SER 3 N 3.19 3.71 0.00 2.44 0.01 -1.26 -5.12 113.70 116.67 1x5p s SER 3 Ca 0.04 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1x5p s SER 3 Cb -0.28 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1x5p s SER 3 CO 0.03 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1x5p n GLY 4 N 1.01 1.40 3.85 3.44 0.00 -1.26 -5.19 105.19 108.43 1x5p n GLY 4 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1x5p n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5p s SER 5 N 0.04 -0.03 -0.30 1.61 0.15 -1.26 -5.11 113.70 108.80 1x5p s SER 5 Ca 0.00 -0.35 -0.28 0.00 0.70 0.00 0.00 55.95 56.02 1x5p s SER 5 Cb 0.00 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1x5p s SER 5 CO 0.00 -0.56 1.83 -0.44 1.20 0.00 0.00 173.24 175.27 1x5p s SER 6 N -3.42 5.90 0.00 5.45 0.01 -1.26 -4.69 113.70 115.70 1x5p s SER 6 Ca 0.22 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1x5p s SER 6 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1x5p s SER 6 CO 0.01 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 172.58 1x5p n GLY 7 N 5.39 2.25 1.26 3.44 0.00 -1.26 -4.90 105.19 111.36 1x5p n GLY 7 Ca 0.23 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 1x5p n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5p n GLU 8 N 1.82 1.90 -2.33 1.61 0.28 -1.26 -5.01 120.64 117.65 1x5p n GLU 8 Ca 0.00 -3.17 -0.43 0.00 -0.16 0.00 0.00 57.16 53.40 1x5p n GLU 8 Cb 0.00 -1.85 -0.02 0.00 1.43 0.00 0.00 31.44 30.99 1x5p n GLU 8 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1x5p s ARG 9 N -3.25 4.26 -0.46 3.44 0.52 -1.26 -4.89 118.95 117.31 1x5p s ARG 9 Ca 0.46 1.80 -0.43 0.00 -0.52 0.00 0.00 55.73 57.04 1x5p s ARG 9 Cb 0.41 -3.72 -0.18 0.00 0.52 0.00 0.00 34.95 31.98 1x5p s ARG 9 CO 0.01 -0.65 2.03 0.54 0.02 0.00 0.00 175.30 177.24 1x5p n ARG 10 N 6.20 0.27 -3.17 3.54 5.12 -1.26 -4.90 116.66 122.46 1x5p n ARG 10 Ca 0.14 0.08 -0.32 0.00 -1.93 0.00 0.00 57.85 55.82 1x5p n ARG 10 Cb 0.45 -1.71 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x5p s ALA 11 N 5.54 3.38 0.01 7.54 0.00 -1.26 -5.03 121.76 131.95 1x5p s ALA 11 Ca 1.14 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 1x5p s ALA 11 Cb -1.36 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.02 1x5p s ALA 11 CO 0.66 0.33 1.44 -1.25 0.00 0.00 0.00 175.76 176.93 1x5p s PRO 12 N -3.07 4.27 0.37 0.00 0.04 -1.26 -5.02 135.00 130.34 1x5p s PRO 12 Ca 0.52 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 1x5p s PRO 12 Cb -0.10 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1x5p s PRO 12 CO 0.20 -0.59 0.61 0.50 0.04 0.00 0.00 177.00 177.76 1x5p s ARG 13 N 2.38 3.52 -1.21 4.56 3.52 -1.26 -4.44 118.95 126.04 1x5p s ARG 13 Ca 0.65 -0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 56.09 1x5p s ARG 13 Cb -0.33 -2.58 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 1x5p s ARG 13 CO 0.27 0.06 0.90 1.63 -0.81 0.00 0.00 175.30 177.36 1x5p n LYS 14 N -1.79 -5.36 -0.55 5.12 4.01 -1.26 -4.99 118.16 113.33 1x5p n LYS 14 Ca -0.03 0.78 -0.17 0.00 -0.51 0.00 0.00 58.31 58.38 1x5p n LYS 14 Cb 0.56 -5.62 0.15 0.00 -0.51 0.00 0.00 35.03 29.60 1x5p n LYS 14 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x5p n GLY 15 N -1.28 -2.75 0.09 0.72 0.00 -1.26 -4.79 105.19 95.93 1x5p n GLY 15 Ca -0.26 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1x5p n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5p n ASN 16 N -4.12 2.43 -4.83 1.61 4.13 -1.26 -4.48 115.26 108.74 1x5p n ASN 16 Ca 0.09 -0.09 -0.34 0.00 1.68 0.00 0.00 54.58 55.91 1x5p n ASN 16 Cb 0.34 -0.21 -0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x5p s THR 17 N -2.38 4.59 -0.07 3.41 2.01 -1.26 -1.60 115.64 120.34 1x5p s THR 17 Ca -0.24 1.16 0.02 0.00 0.31 0.00 0.00 61.69 62.94 1x5p s THR 17 Cb 0.06 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1x5p s THR 17 CO 0.45 -0.01 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.51 1x5p s LEU 18 N -2.52 1.52 -0.42 4.42 1.43 0.99 -3.97 118.68 120.14 1x5p s LEU 18 Ca 0.50 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 1x5p s LEU 18 Cb -0.13 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1x5p s LEU 18 CO 0.19 -0.01 1.11 -0.47 0.23 0.00 0.00 176.35 177.40 1x5p s TYR 19 N 0.90 2.95 -0.04 0.29 6.14 0.11 -1.83 117.35 125.87 1x5p s TYR 19 Ca -0.10 0.90 0.00 0.00 0.64 0.00 0.00 57.07 58.51 1x5p s TYR 19 Cb -0.15 -4.14 -0.03 0.00 0.42 0.00 0.00 41.96 38.05 1x5p s TYR 19 CO 0.01 -1.07 -0.02 0.08 0.64 0.00 0.00 175.55 175.19 1x5p s VAL 20 N 4.14 4.08 -0.04 3.14 1.01 0.20 -0.28 120.40 132.65 1x5p s VAL 20 Ca 0.47 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1x5p s VAL 20 Cb -0.09 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1x5p s VAL 20 CO 0.25 0.50 0.04 -0.47 0.00 0.00 0.00 175.10 175.42 1x5p s TYR 21 N -0.96 0.19 0.25 5.22 6.14 0.57 0.19 117.35 128.94 1x5p s TYR 21 Ca 0.16 0.14 0.05 0.00 0.64 0.00 0.00 57.07 58.05 1x5p s TYR 21 Cb -0.11 -0.50 -0.02 0.00 0.42 0.00 0.00 41.96 41.75 1x5p s TYR 21 CO 0.06 -0.19 0.17 0.41 0.64 0.00 0.00 175.55 176.63 1x5p n GLY 22 N 4.99 3.32 0.87 8.97 0.00 -1.02 -1.46 105.19 120.85 1x5p n GLY 22 Ca -0.10 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.50 0.03 -2.20 1.61 4.71 -1.26 -4.66 120.64 118.37 1x5p n GLU 23 Ca 0.03 0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 56.84 1x5p n GLU 23 Cb 0.42 -0.29 0.02 0.00 -1.01 0.00 0.00 31.44 30.59 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1x5p n ASP 24 N -2.93 6.46 -4.47 1.62 8.00 -1.26 -5.00 116.55 118.97 1x5p n ASP 24 Ca -0.01 -3.78 -0.28 0.00 0.71 0.00 0.00 54.79 51.43 1x5p n ASP 24 Cb 0.03 -0.85 -0.11 0.00 -0.02 0.00 0.00 41.12 40.16 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 -3.89 1.69 0.20 -1.24 0.23 -1.26 -4.94 119.30 110.09 1x5p s MET 25 Ca 0.50 -1.31 0.11 0.00 -1.03 0.00 0.00 55.69 53.95 1x5p s MET 25 Cb 0.40 -2.01 -0.04 0.00 -1.53 0.00 0.00 34.83 31.65 1x5p s MET 25 CO -0.31 0.45 -0.22 0.95 -2.03 0.00 0.00 175.02 173.86 1x5p s THR 26 N -1.35 2.22 0.13 3.16 -4.23 -1.26 -5.05 115.64 109.27 1x5p s THR 26 Ca 0.19 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.33 1x5p s THR 26 Cb -0.09 -2.08 -0.07 0.00 1.34 0.00 0.00 72.50 71.60 1x5p s THR 26 CO 0.10 -0.22 1.57 -0.65 -0.54 0.00 0.00 174.62 174.87 1x5p h PRO 27 N 3.05 -0.44 -0.98 3.99 0.11 -2.00 0.71 132.00 136.44 1x5p h PRO 27 Ca -0.44 0.03 0.27 0.00 0.11 0.00 0.00 66.00 65.97 1x5p h PRO 27 Cb 1.22 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.37 1x5p h PRO 27 CO 0.51 -0.29 0.68 1.15 -0.21 0.00 0.00 178.00 179.84 1x5p h THR 28 N -0.46 0.54 0.07 -1.15 2.02 -2.00 -0.36 112.91 111.57 1x5p h THR 28 Ca 0.08 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1x5p h THR 28 Cb 0.63 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1x5p h THR 28 CO -0.50 0.03 -0.03 0.25 0.37 0.00 0.00 175.52 175.64 1x5p h LEU 29 N 0.14 -0.08 -1.87 2.58 6.46 -1.28 -2.95 115.31 118.32 1x5p h LEU 29 Ca 0.49 -0.28 0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1x5p h LEU 29 Cb 1.69 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.63 1x5p h LEU 29 CO -0.09 0.24 0.15 -0.07 -0.62 0.00 0.00 178.44 178.05 1x5p h LEU 30 N -0.40 0.15 -0.67 2.25 3.38 -0.57 -1.32 115.31 118.12 1x5p h LEU 30 Ca -0.01 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1x5p h LEU 30 Cb 0.35 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1x5p h LEU 30 CO 0.02 0.10 0.35 0.03 0.09 0.00 0.00 178.44 179.03 1x5p h ARG 31 N 0.17 0.61 -0.00 1.13 3.08 -1.19 0.31 114.38 118.49 1x5p h ARG 31 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1x5p h ARG 31 Cb 0.16 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1x5p h ARG 31 CO -0.02 0.40 -0.46 0.41 -1.07 0.00 0.00 179.97 179.24 1x5p n GLY 32 N -1.29 -1.19 0.10 0.04 0.00 -0.77 -2.18 105.19 99.91 1x5p n GLY 32 Ca 0.09 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1x5p n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5p h ALA 33 N 3.07 0.61 0.00 4.61 0.00 -0.17 -3.37 119.26 124.01 1x5p h ALA 33 Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 54.91 53.36 1x5p h ALA 33 Cb 0.50 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1x5p h ALA 33 CO 0.00 1.45 -1.83 1.19 0.00 0.00 0.00 179.25 180.06 1x5p n PHE 34 N -3.23 0.41 -0.17 0.00 3.01 0.98 -4.32 117.46 114.13 1x5p n PHE 34 Ca -0.21 0.13 -0.03 0.00 1.01 0.00 0.00 57.45 58.34 1x5p n PHE 34 Cb 1.05 -0.87 0.06 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.25 -0.88 4.37 0.87 -1.59 -1.38 113.55 115.20 1x5p h SER 35 Ca -0.20 0.05 0.25 0.00 -1.23 0.00 0.00 61.79 60.66 1x5p h SER 35 Cb 1.53 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.47 1x5p h SER 35 CO 0.02 0.18 0.79 -0.65 -0.53 0.00 0.00 176.83 176.64 1x5p h PRO 36 N 0.41 0.00 0.12 2.24 0.11 -1.75 0.45 132.00 133.58 1x5p h PRO 36 Ca 0.24 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.06 1x5p h PRO 36 Cb 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1x5p h PRO 36 CO -0.22 0.00 -1.39 0.74 -0.21 0.00 0.00 178.00 176.92 1x5p h PHE 37 N 0.00 0.48 0.00 0.65 -1.00 -1.51 -3.50 116.94 112.06 1x5p h PHE 37 Ca 0.42 -0.35 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1x5p h PHE 37 Cb 2.00 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.54 1x5p h PHE 37 CO 0.00 1.33 0.00 0.41 -1.61 0.00 0.00 178.31 178.44 1x5p n GLY 38 N 1.60 0.43 2.95 -1.45 0.00 0.16 -4.90 105.19 103.98 1x5p n GLY 38 Ca -0.12 0.47 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 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 1.19 -0.35 1.61 2.47 -1.26 -4.60 114.94 116.00 1x5p s ASN 39 Ca 0.00 -0.18 -0.19 0.00 0.42 0.00 0.00 52.86 52.91 1x5p s ASN 39 Cb 0.00 -0.52 -0.00 0.00 -1.45 0.00 0.00 41.25 39.27 1x5p s ASN 39 CO 0.00 -0.01 0.56 -0.63 -3.72 0.00 0.00 177.10 173.30 1x5p s ILE 40 N 0.69 4.97 -0.16 -5.21 1.01 -1.26 -2.18 121.20 119.06 1x5p s ILE 40 Ca -0.11 0.46 0.18 0.00 0.00 0.00 0.00 60.65 61.18 1x5p s ILE 40 Cb -0.14 -4.00 -0.25 0.00 0.01 0.00 0.00 42.46 38.08 1x5p s ILE 40 CO 0.01 -0.24 0.23 2.30 0.00 0.00 0.00 174.94 177.24 1x5p n ILE 41 N 5.47 1.29 -3.61 2.92 -5.35 -0.64 -4.86 119.36 114.57 1x5p n ILE 41 Ca -0.03 -0.81 -0.27 0.00 -0.27 0.00 0.00 62.75 61.37 1x5p n ILE 41 Cb 0.49 -0.52 -0.16 0.00 -1.74 0.00 0.00 39.64 37.71 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 -5.50 2.68 -0.20 7.28 2.15 -1.23 -5.01 116.67 116.84 1x5p s ASP 42 Ca -0.09 -0.79 -0.00 0.00 0.43 0.00 0.00 52.55 52.10 1x5p s ASP 42 Cb 0.07 -0.31 0.05 0.00 -0.30 0.00 0.00 42.92 42.43 1x5p s ASP 42 CO 0.84 -0.37 -0.05 -0.22 -0.17 0.00 0.00 175.17 175.20 1x5p s LEU 43 N 2.10 1.98 -0.05 -1.34 2.96 -1.25 -0.48 118.68 122.59 1x5p s LEU 43 Ca 0.03 -0.89 0.04 0.00 -0.22 0.00 0.00 54.13 53.09 1x5p s LEU 43 Cb -0.16 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.52 1x5p s LEU 43 CO -0.15 -0.21 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.57 1x5p s SER 44 N 1.55 2.03 -0.11 3.68 1.04 -1.02 -4.98 113.70 115.88 1x5p s SER 44 Ca -0.02 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1x5p s SER 44 Cb -0.17 -0.69 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 1x5p s SER 44 CO -0.07 0.11 -0.11 -0.04 0.98 0.00 0.00 173.24 174.11 1x5p s MET 45 N 0.25 3.16 -0.48 4.02 -1.94 -1.26 -0.62 119.30 122.43 1x5p s MET 45 Ca -0.08 -0.64 -0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1x5p s MET 45 Cb -0.13 -2.62 0.13 0.00 2.01 0.00 0.00 34.83 34.22 1x5p s MET 45 CO 0.03 0.37 0.25 -0.51 -0.01 0.00 0.00 175.02 175.15 1x5p s ASP 46 N -0.04 5.00 0.28 3.03 1.01 0.21 -4.97 116.67 121.20 1x5p s ASP 46 Ca -0.02 -2.46 0.02 0.00 0.71 0.00 0.00 52.55 50.81 1x5p s ASP 46 Cb -0.14 -1.77 0.68 0.00 1.01 0.00 0.00 42.92 42.71 1x5p s ASP 46 CO 0.04 -0.41 1.69 -0.65 0.21 0.00 0.00 175.17 176.04 1x5p h PRO 47 N 7.41 0.35 -0.10 8.23 0.11 -1.95 -0.30 132.00 145.76 1x5p h PRO 47 Ca -0.07 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.03 1x5p h PRO 47 Cb 0.99 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 1x5p h PRO 47 CO 0.67 0.23 -0.29 -1.35 -0.21 0.00 0.00 178.00 177.06 1x5p h PRO 48 N 0.36 -0.27 -0.73 1.05 0.11 -1.94 -0.86 132.00 129.73 1x5p h PRO 48 Ca 0.54 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1x5p h PRO 48 Cb 1.01 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1x5p h PRO 48 CO -0.54 -0.18 0.00 0.54 -0.21 0.00 0.00 178.00 177.61 1x5p n ARG 49 N -4.07 2.28 -3.98 1.05 5.12 -1.03 -4.88 116.66 111.15 1x5p n ARG 49 Ca -0.03 -1.13 -0.34 0.00 -1.93 0.00 0.00 57.85 54.42 1x5p n ARG 49 Cb 0.19 -1.67 -0.07 0.00 -1.16 0.00 0.00 32.46 29.76 1x5p n ARG 49 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1x5p n ASN 50 N 0.25 -1.14 -3.91 0.55 3.02 -0.16 -4.86 115.26 109.00 1x5p n ASN 50 Ca 0.10 -1.02 -0.25 0.00 -0.03 0.00 0.00 54.58 53.38 1x5p n ASN 50 Cb 0.53 -1.30 -0.06 0.00 -0.61 0.00 0.00 39.78 38.33 1x5p n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5p s ALA 52 N -2.92 -1.01 -0.26 0.00 0.00 0.13 -0.61 121.76 117.08 1x5p s ALA 52 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 1x5p s ALA 52 Cb 0.01 0.89 0.08 0.00 0.00 0.00 0.00 23.12 24.10 1x5p s ALA 52 CO 0.08 -0.90 0.08 -0.06 0.00 0.00 0.00 175.76 174.96 1x5p s PHE 53 N -3.90 1.16 -0.23 0.00 0.40 0.20 -0.63 117.98 114.99 1x5p s PHE 53 Ca 0.11 -1.23 -0.10 0.00 -0.60 0.00 0.00 56.93 55.12 1x5p s PHE 53 Cb -0.03 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.17 1x5p s PHE 53 CO 0.02 -0.77 0.14 0.08 0.70 0.00 0.00 175.22 175.39 1x5p s VAL 54 N 1.81 5.19 -0.14 -0.44 1.01 -0.76 -2.44 120.40 124.62 1x5p s VAL 54 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1x5p s VAL 54 Cb -0.17 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1x5p s VAL 54 CO -0.21 0.37 -0.08 -0.89 0.00 0.00 0.00 175.10 174.28 1x5p s THR 55 N 0.96 3.49 0.11 3.92 2.01 0.37 -0.01 115.64 126.49 1x5p s THR 55 Ca 0.07 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 1x5p s THR 55 Cb -0.13 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 1x5p s THR 55 CO 0.03 0.51 0.33 -0.31 -0.69 0.00 0.00 174.62 174.49 1x5p s TYR 56 N 0.37 3.50 0.32 4.92 2.02 -0.63 -1.63 117.35 126.23 1x5p s TYR 56 Ca -0.07 0.50 0.07 0.00 -0.37 0.00 0.00 57.07 57.19 1x5p s TYR 56 Cb -0.15 -1.95 0.54 0.00 -0.40 0.00 0.00 41.96 40.00 1x5p s TYR 56 CO 0.04 0.49 1.77 1.49 -1.57 0.00 0.00 175.55 177.77 1x5p h GLU 57 N 3.03 0.28 -4.81 -0.62 4.57 -1.78 -3.40 114.58 111.85 1x5p h GLU 57 Ca -0.46 -0.11 -0.68 0.00 -1.18 0.00 0.00 59.36 56.93 1x5p h GLU 57 Cb 1.17 -0.02 -0.33 0.00 -0.16 0.00 0.00 28.75 29.41 1x5p h GLU 57 CO 0.72 0.56 -0.72 0.15 -1.18 0.00 0.00 179.01 178.54 1x5p s LYS 58 N -4.38 2.47 0.22 1.92 3.01 -1.26 -4.99 119.74 116.73 1x5p s LYS 58 Ca -0.05 -1.23 -0.02 0.00 -1.01 0.00 0.00 55.97 53.66 1x5p s LYS 58 Cb 0.14 -3.11 0.46 0.00 -1.01 0.00 0.00 37.83 34.31 1x5p s LYS 58 CO 0.76 -0.58 1.15 0.00 0.51 0.00 0.00 175.35 177.20 1x5p n MET 59 N 4.60 -0.06 -0.28 1.68 0.00 -1.26 0.36 117.12 122.16 1x5p n MET 59 Ca -0.14 1.13 0.02 0.00 0.00 0.00 0.00 57.70 58.71 1x5p n MET 59 Cb 0.44 -1.74 0.07 0.00 0.00 0.00 0.00 33.22 31.99 1x5p n MET 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1x5p n GLU 60 N -5.10 -0.12 -0.24 3.17 0.28 -1.26 0.20 120.64 117.56 1x5p n GLU 60 Ca 0.15 1.18 0.03 0.00 -0.16 0.00 0.00 57.16 58.35 1x5p n GLU 60 Cb 0.48 -1.76 0.15 0.00 1.43 0.00 0.00 31.44 31.74 1x5p n GLU 60 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1x5p h SER 61 N 0.00 0.32 -0.47 -1.84 0.02 -0.45 -2.60 113.55 108.54 1x5p h SER 61 Ca 0.32 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.40 1x5p h SER 61 Cb 0.51 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1x5p h SER 61 CO -0.77 0.16 -0.28 0.00 -1.14 0.00 0.00 176.83 174.80 1x5p n ALA 62 N -2.47 -0.30 -0.19 3.77 0.00 0.52 -0.13 120.51 121.71 1x5p n ALA 62 Ca 0.12 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 1x5p n ALA 62 Cb 0.33 0.12 0.03 0.00 0.00 0.00 0.00 19.45 19.94 1x5p n ALA 62 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1x5p h ASP 63 N 0.00 0.65 -0.10 0.00 5.19 -1.54 -2.49 116.42 118.13 1x5p h ASP 63 Ca 0.07 -0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1x5p h ASP 63 Cb 0.19 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.49 1x5p h ASP 63 CO -0.44 0.49 -0.45 1.56 -3.12 0.00 0.00 179.24 177.28 1x5p h GLN 64 N 0.76 -0.47 0.17 3.56 4.20 -0.15 0.33 115.11 123.51 1x5p h GLN 64 Ca 0.20 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1x5p h GLN 64 Cb -0.06 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1x5p h GLN 64 CO -0.04 -0.31 -0.36 0.00 -0.67 0.00 0.00 178.83 177.45 1x5p h ALA 65 N -0.50 -0.92 0.00 3.87 0.00 -0.57 0.26 119.26 121.40 1x5p h ALA 65 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x5p h ALA 65 Cb 0.57 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1x5p h ALA 65 CO -0.36 -0.98 0.39 0.28 0.00 0.00 0.00 179.25 178.58 1x5p h VAL 66 N -0.58 0.00 0.14 0.00 2.07 -1.27 1.72 116.25 118.34 1x5p h VAL 66 Ca -0.02 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.16 1x5p h VAL 66 Cb 0.55 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1x5p h VAL 66 CO -0.14 0.00 -1.79 0.00 0.02 0.00 0.00 177.57 175.66 1x5p h ALA 67 N 1.18 0.30 0.00 1.67 0.00 0.18 -3.28 119.26 119.31 1x5p h ALA 67 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 54.91 53.55 1x5p h ALA 67 Cb 0.79 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1x5p h ALA 67 CO 0.00 1.17 -1.32 0.39 0.00 0.00 0.00 179.25 179.49 1x5p n GLU 68 N -3.50 0.54 -0.35 0.00 -0.58 0.80 -4.50 120.64 113.05 1x5p n GLU 68 Ca -0.25 0.29 0.10 0.00 -0.42 0.00 0.00 57.16 56.88 1x5p n GLU 68 Cb 1.06 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 30.72 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 0.84 -7.52 -4.62 3.38 0.22 -3.40 115.31 103.21 1x5p h LEU 69 Ca -0.19 0.07 -0.73 0.00 0.09 0.00 0.00 57.88 57.11 1x5p h LEU 69 Cb 1.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1x5p h LEU 69 CO -0.12 0.38 0.79 -3.20 0.09 0.00 0.00 178.44 176.39 1x5p n ASN 70 N -4.67 0.91 -3.87 -0.43 5.15 -1.14 0.15 115.26 111.36 1x5p n ASN 70 Ca 0.21 0.88 -0.29 0.00 -0.60 0.00 0.00 54.58 54.78 1x5p n ASN 70 Cb 0.47 -0.77 0.03 0.00 -0.53 0.00 0.00 39.78 38.98 1x5p n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5p n GLY 71 N 4.53 -0.48 3.93 8.20 0.00 -0.84 -4.93 105.19 115.61 1x5p n GLY 71 Ca 0.34 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.34 5.18 -0.51 2.61 -1.32 0.39 -4.90 115.64 113.75 1x5p s THR 72 Ca 0.59 -0.44 -0.03 0.00 -1.21 0.00 0.00 61.69 60.61 1x5p s THR 72 Cb -0.29 -3.78 0.13 0.00 -1.51 0.00 0.00 72.50 67.06 1x5p s THR 72 CO 0.82 -0.29 0.32 -1.58 -2.21 0.00 0.00 174.62 171.68 1x5p s GLN 73 N -3.64 2.26 -0.03 7.08 0.74 -1.26 -0.83 119.66 123.98 1x5p s GLN 73 Ca 0.39 -2.19 0.06 0.00 0.05 0.00 0.00 55.36 53.67 1x5p s GLN 73 Cb -0.10 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.34 1x5p s GLN 73 CO 0.31 -1.12 -0.22 0.14 -0.55 0.00 0.00 175.29 173.84 1x5p s VAL 74 N 0.52 2.39 -1.29 1.34 -7.23 -1.01 -4.65 120.40 110.48 1x5p s VAL 74 Ca 0.13 -0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 59.26 1x5p s VAL 74 Cb -0.22 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 34.89 1x5p s VAL 74 CO -0.04 0.58 0.41 -0.62 -0.31 0.00 0.00 175.10 175.12 1x5p n GLU 75 N 2.45 -3.45 -2.59 4.82 1.02 -1.26 0.10 120.64 121.73 1x5p n GLU 75 Ca -0.17 0.59 -0.19 0.00 -0.02 0.00 0.00 57.16 57.38 1x5p n GLU 75 Cb 0.51 -5.31 0.01 0.00 -0.02 0.00 0.00 31.44 26.64 1x5p n GLU 75 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x5p n SER 76 N -2.23 -5.47 -3.68 1.62 7.64 -1.26 -4.99 113.62 105.25 1x5p n SER 76 Ca -0.06 -0.12 -0.23 0.00 1.01 0.00 0.00 58.87 59.47 1x5p n SER 76 Cb 0.57 -4.43 -0.17 0.00 -1.01 0.00 0.00 64.21 59.17 1x5p n SER 76 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x5p s VAL 77 N -3.00 0.06 -0.38 0.44 1.01 0.11 -5.02 120.40 113.62 1x5p s VAL 77 Ca 0.11 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 1x5p s VAL 77 Cb -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1x5p s VAL 77 CO 0.14 -0.00 1.68 -1.10 0.00 0.00 0.00 175.10 175.82 1x5p s GLN 78 N 2.09 3.34 -0.03 2.72 -0.21 -1.26 -2.39 119.66 123.92 1x5p s GLN 78 Ca 0.03 1.19 -0.10 0.00 0.02 0.00 0.00 55.36 56.51 1x5p s GLN 78 Cb -0.14 -4.16 -0.05 0.00 1.00 0.00 0.00 33.01 29.66 1x5p s GLN 78 CO -0.06 -1.85 0.29 -0.51 -2.12 0.00 0.00 175.29 171.04 1x5p s LEU 79 N 6.64 4.42 -0.27 2.90 1.43 -0.01 -4.59 118.68 129.20 1x5p s LEU 79 Ca 0.73 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 1x5p s LEU 79 Cb -0.19 -2.47 0.07 0.00 0.03 0.00 0.00 46.19 43.63 1x5p s LEU 79 CO 0.32 0.32 -0.06 -0.54 0.23 0.00 0.00 176.35 176.62 1x5p s LYS 80 N -1.27 1.93 -0.02 1.70 1.02 -0.54 -1.98 119.74 120.58 1x5p s LYS 80 Ca 0.22 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1x5p s LYS 80 Cb -0.14 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1x5p s LYS 80 CO 0.11 -0.66 0.03 0.08 -0.92 0.00 0.00 175.35 174.00 1x5p s VAL 81 N 1.14 4.42 -0.16 3.17 1.01 -1.26 -0.32 120.40 128.40 1x5p s VAL 81 Ca -0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1x5p s VAL 81 Cb -0.19 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.26 1x5p s VAL 81 CO -0.06 0.41 0.43 0.21 0.00 0.00 0.00 175.10 176.08 1x5p s ASN 82 N -1.51 -0.46 -0.63 3.32 3.84 0.62 -4.55 114.94 115.58 1x5p s ASN 82 Ca 0.20 0.87 -0.26 0.00 0.21 0.00 0.00 52.86 53.87 1x5p s ASN 82 Cb -0.12 0.86 -0.05 0.00 -0.55 0.00 0.00 41.25 41.39 1x5p s ASN 82 CO 0.10 -0.15 2.10 -0.63 -2.79 0.00 0.00 177.10 175.73 1x5p s ILE 83 N 0.37 3.22 0.86 -5.21 -1.09 -1.26 0.04 121.20 118.13 1x5p s ILE 83 Ca -0.01 0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.29 1x5p s ILE 83 Cb -0.04 -3.57 -0.14 0.00 -1.58 0.00 0.00 42.46 37.14 1x5p s ILE 83 CO -0.01 -0.54 -0.66 0.00 -1.23 0.00 0.00 174.94 172.50 1x5p n ALA 84 N 14.49 -4.95 -0.04 9.38 0.00 -1.25 -4.92 120.51 133.21 1x5p n ALA 84 Ca 0.31 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1x5p n ALA 84 Cb 0.52 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1x5p n ALA 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x5p n ARG 85 N 2.19 0.19 -1.49 0.00 3.00 -1.26 -4.69 116.66 114.59 1x5p n ARG 85 Ca -0.00 0.05 -0.29 0.00 -0.00 0.00 0.00 57.85 57.60 1x5p n ARG 85 Cb 0.51 -1.10 -0.01 0.00 0.00 0.00 0.00 32.46 31.86 1x5p n ARG 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x5p n LYS 86 N -2.82 2.42 -3.67 -0.14 4.81 -1.26 -4.77 118.16 112.73 1x5p n LYS 86 Ca -0.14 -2.59 -0.34 0.00 -0.87 0.00 0.00 58.31 54.37 1x5p n LYS 86 Cb 0.64 -2.11 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 1x5p n LYS 86 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x5p n GLN 87 N 0.32 2.49 -1.07 1.64 10.64 -1.26 -5.08 117.38 125.05 1x5p n GLN 87 Ca 0.49 -4.50 -0.30 0.00 -1.83 0.00 0.00 57.00 50.85 1x5p n GLN 87 Cb 0.49 -2.37 0.24 0.00 -0.86 0.00 0.00 30.24 27.74 1x5p n GLN 87 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1x5p s PRO 88 N -1.54 -1.35 -0.49 2.61 0.04 -1.26 -4.82 135.00 128.19 1x5p s PRO 88 Ca 0.28 -0.11 -0.35 0.00 0.04 0.00 0.00 61.00 60.86 1x5p s PRO 88 Cb -0.04 -1.59 -0.14 0.00 0.04 0.00 0.00 34.50 32.77 1x5p s PRO 88 CO -0.12 -3.79 2.29 -1.33 0.04 0.00 0.00 177.00 174.08 1x5p n MET 89 N -4.81 0.71 -3.57 4.56 2.81 -1.26 -4.88 117.12 110.68 1x5p n MET 89 Ca 0.14 0.16 -0.40 0.00 -1.81 0.00 0.00 57.70 55.78 1x5p n MET 89 Cb 0.60 -2.24 -0.07 0.00 -0.71 0.00 0.00 33.22 30.79 1x5p n MET 89 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1x5p s LEU 90 N 7.88 5.77 -0.23 4.03 0.20 -1.26 -5.02 118.68 130.04 1x5p s LEU 90 Ca 1.14 -2.49 -0.15 0.00 0.69 0.00 0.00 54.13 53.33 1x5p s LEU 90 Cb -0.96 -1.99 0.07 0.00 -0.43 0.00 0.00 46.19 42.87 1x5p s LEU 90 CO 0.50 -0.53 0.58 -1.81 -0.29 0.00 0.00 176.35 174.80 1x5p s ASP 91 N 1.73 -0.75 0.33 3.68 1.01 -1.26 -5.12 116.67 116.29 1x5p s ASP 91 Ca 0.13 1.26 0.07 0.00 0.71 0.00 0.00 52.55 54.72 1x5p s ASP 91 Cb -0.20 1.16 -0.07 0.00 1.01 0.00 0.00 42.92 44.83 1x5p s ASP 91 CO -0.04 -0.22 -0.02 -0.55 0.21 0.00 0.00 175.17 174.55 1x5p s SER 92 N 1.33 3.11 0.00 0.27 0.15 -1.26 -4.77 113.70 112.53 1x5p s SER 92 Ca -0.08 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1x5p s SER 92 Cb -0.06 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1x5p s SER 92 CO -0.14 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1x5p n GLY 93 N -0.73 -0.74 3.55 9.45 0.00 -1.26 -4.55 105.19 110.91 1x5p n GLY 93 Ca -0.05 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.37 1x5p n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5p s PRO 94 N -0.44 2.61 -1.48 1.61 0.04 -1.26 -3.61 135.00 132.47 1x5p s PRO 94 Ca 0.00 0.51 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 1x5p s PRO 94 Cb 0.00 -4.47 0.05 0.00 0.04 0.00 0.00 34.50 30.12 1x5p s PRO 94 CO 0.00 -2.81 0.61 0.43 0.04 0.00 0.00 177.00 175.26 1x5p n SER 95 N 12.92 -1.68 -0.27 6.66 7.64 -1.26 -4.85 113.62 132.78 1x5p n SER 95 Ca 0.23 -0.96 -0.05 0.00 1.01 0.00 0.00 58.87 59.10 1x5p n SER 95 Cb 0.51 -3.21 0.06 0.00 -1.01 0.00 0.00 64.21 60.56 1x5p n SER 95 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x5p h SER 96 N -1.80 0.94 0.00 6.43 4.64 -1.80 -3.52 113.55 118.43 1x5p h SER 96 Ca -0.61 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1x5p h SER 96 Cb 1.38 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1x5p h SER 96 CO 0.66 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 178.00