#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 5.39 -0.28 1.61 0.01 -1.26 -5.03 113.70 114.15 1x5p s SER 2 Ca 0.00 -1.42 -0.01 0.00 1.31 0.00 0.00 55.95 55.82 1x5p s SER 2 Cb 0.00 -1.89 0.17 0.00 0.21 0.00 0.00 66.02 64.51 1x5p s SER 2 CO 0.00 -0.43 0.51 -0.55 0.41 0.00 0.00 173.24 173.18 1x5p s SER 3 N 1.72 -0.77 0.00 2.44 0.15 -1.26 -5.14 113.70 110.84 1x5p s SER 3 Ca 0.01 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1x5p s SER 3 Cb -0.21 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1x5p s SER 3 CO 0.01 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x5p n GLY 4 N 5.40 5.08 3.94 9.45 0.00 -1.26 -5.17 105.19 122.63 1x5p n GLY 4 Ca -0.02 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1x5p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5p s SER 5 N 1.32 6.31 -0.20 1.61 1.04 -1.26 -5.09 113.70 117.43 1x5p s SER 5 Ca 0.00 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 56.82 1x5p s SER 5 Cb 0.00 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 1x5p s SER 5 CO 0.00 -0.28 0.09 -0.44 0.98 0.00 0.00 173.24 173.59 1x5p s SER 6 N -3.92 5.71 0.00 7.02 0.01 -1.26 -4.98 113.70 116.28 1x5p s SER 6 Ca 0.40 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1x5p s SER 6 Cb -0.10 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1x5p s SER 6 CO 0.35 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.74 1x5p n GLY 7 N 3.84 2.52 3.55 3.44 0.00 -1.26 -4.84 105.19 112.44 1x5p n GLY 7 Ca -0.16 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1x5p n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5p s GLU 8 N -4.09 3.40 -1.26 1.61 2.56 -1.26 -4.28 118.70 115.38 1x5p s GLU 8 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.97 54.82 1x5p s GLU 8 Cb 0.00 -4.05 0.11 0.00 2.00 0.00 0.00 34.13 32.19 1x5p s GLU 8 CO 0.00 -1.64 0.27 2.89 -0.56 0.00 0.00 175.26 176.22 1x5p n ARG 9 N 8.07 -0.85 -4.50 4.30 1.85 -1.26 -4.87 116.66 119.39 1x5p n ARG 9 Ca 0.05 0.09 -0.33 0.00 -1.00 0.00 0.00 57.85 56.65 1x5p n ARG 9 Cb 0.48 -3.08 -0.16 0.00 -1.05 0.00 0.00 32.46 28.66 1x5p n ARG 9 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1x5p s ARG 10 N -5.73 3.16 0.06 2.89 3.52 -1.26 -5.12 118.95 116.47 1x5p s ARG 10 Ca 0.38 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1x5p s ARG 10 Cb -0.22 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1x5p s ARG 10 CO 0.73 -0.02 -0.10 0.00 -0.81 0.00 0.00 175.30 175.11 1x5p s ALA 11 N 0.88 0.82 -0.62 6.12 0.00 -1.26 -4.88 121.76 122.81 1x5p s ALA 11 Ca -0.04 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 1x5p s ALA 11 Cb -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1x5p s ALA 11 CO -0.02 0.03 1.87 -1.25 0.00 0.00 0.00 175.76 176.39 1x5p s PRO 12 N -1.81 2.62 -0.06 0.00 0.04 -1.26 -4.85 135.00 129.68 1x5p s PRO 12 Ca -0.05 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.33 1x5p s PRO 12 Cb -0.09 -4.42 -0.18 0.00 0.04 0.00 0.00 34.50 29.86 1x5p s PRO 12 CO 0.01 -2.76 0.94 -0.09 0.04 0.00 0.00 177.00 175.14 1x5p h ARG 13 N 14.84 -0.13 -7.19 4.56 2.43 -2.04 -3.45 114.38 123.39 1x5p h ARG 13 Ca -0.25 0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.40 1x5p h ARG 13 Cb 1.16 0.03 0.17 0.00 -0.42 0.00 0.00 29.97 30.91 1x5p h ARG 13 CO 1.22 0.38 0.37 0.15 -1.51 0.00 0.00 179.97 180.58 1x5p s LYS 14 N -3.44 1.83 0.00 0.20 -0.14 -1.26 -5.01 119.74 111.92 1x5p s LYS 14 Ca -0.14 1.77 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 1x5p s LYS 14 Cb 0.00 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1x5p s LYS 14 CO 0.55 -2.07 0.00 0.41 -0.76 0.00 0.00 175.35 173.48 1x5p n GLY 15 N 0.46 -1.15 0.08 -3.33 0.00 -1.26 -5.06 105.19 94.93 1x5p n GLY 15 Ca 0.14 0.90 -0.11 0.00 0.00 0.00 0.00 46.02 46.95 1x5p n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5p n ASN 16 N 0.00 2.76 -4.89 1.61 6.94 -1.26 -4.36 115.26 116.06 1x5p n ASN 16 Ca 0.00 -0.08 -0.29 0.00 -0.02 0.00 0.00 54.58 54.19 1x5p n ASN 16 Cb 0.00 -0.23 -0.02 0.00 -2.36 0.00 0.00 39.78 37.16 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 -2.31 4.90 -0.03 5.53 2.01 -1.26 -0.82 115.64 123.66 1x5p s THR 17 Ca -0.21 0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1x5p s THR 17 Cb 0.05 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1x5p s THR 17 CO 0.37 -0.53 0.03 -0.76 -0.69 0.00 0.00 174.62 173.03 1x5p s LEU 18 N -3.98 0.95 -0.50 4.42 1.43 -0.40 -3.94 118.68 116.66 1x5p s LEU 18 Ca 0.48 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.32 1x5p s LEU 18 Cb -0.10 -0.13 0.03 0.00 0.03 0.00 0.00 46.19 46.02 1x5p s LEU 18 CO 0.34 -0.14 1.10 -0.47 0.23 0.00 0.00 176.35 177.41 1x5p s TYR 19 N 1.24 2.78 0.03 0.29 6.14 0.15 -2.55 117.35 125.44 1x5p s TYR 19 Ca -0.07 0.54 0.03 0.00 0.64 0.00 0.00 57.07 58.21 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 -0.03 -1.32 -0.01 0.08 0.64 0.00 0.00 175.55 174.91 1x5p s VAL 20 N 4.41 4.02 -0.10 3.14 1.01 0.68 0.22 120.40 133.78 1x5p s VAL 20 Ca 0.44 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1x5p s VAL 20 Cb -0.08 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.52 1x5p s VAL 20 CO 0.29 0.28 0.15 -0.47 0.00 0.00 0.00 175.10 175.36 1x5p s TYR 21 N -1.15 -0.14 0.21 5.22 6.14 0.13 -0.26 117.35 127.50 1x5p s TYR 21 Ca 0.21 0.47 0.02 0.00 0.64 0.00 0.00 57.07 58.41 1x5p s TYR 21 Cb -0.12 -0.32 -0.01 0.00 0.42 0.00 0.00 41.96 41.94 1x5p s TYR 21 CO 0.13 -0.32 0.07 0.41 0.64 0.00 0.00 175.55 176.48 1x5p n GLY 22 N 5.32 3.66 0.84 8.97 0.00 -1.04 -1.34 105.19 121.60 1x5p n GLY 22 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.48 0.00 -2.20 1.61 4.71 -1.26 -4.71 120.64 118.32 1x5p n GLU 23 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.74 1x5p n GLU 23 Cb 0.32 -0.06 0.03 0.00 -1.01 0.00 0.00 31.44 30.71 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 -2.45 7.00 -4.38 1.62 8.00 -1.26 -4.98 116.55 120.10 1x5p n ASP 24 Ca 0.00 -3.78 -0.29 0.00 0.71 0.00 0.00 54.79 51.43 1x5p n ASP 24 Cb 0.00 -0.99 -0.13 0.00 -0.02 0.00 0.00 41.12 39.98 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 -4.04 1.41 0.23 -1.24 0.23 -1.26 -4.93 119.30 109.69 1x5p s MET 25 Ca 0.48 -1.31 0.12 0.00 -1.03 0.00 0.00 55.69 53.95 1x5p s MET 25 Cb 0.37 -1.87 -0.05 0.00 -1.53 0.00 0.00 34.83 31.76 1x5p s MET 25 CO -0.31 0.44 -0.22 0.95 -2.03 0.00 0.00 175.02 173.85 1x5p s THR 26 N -1.05 2.39 0.18 3.16 -4.23 -1.26 -5.04 115.64 109.80 1x5p s THR 26 Ca 0.13 -2.18 -0.20 0.00 -1.18 0.00 0.00 61.69 58.27 1x5p s THR 26 Cb -0.10 -2.19 0.11 0.00 1.34 0.00 0.00 72.50 71.66 1x5p s THR 26 CO 0.06 -0.23 1.61 -0.65 -0.54 0.00 0.00 174.62 174.87 1x5p h PRO 27 N 2.85 -0.16 -0.63 3.99 0.11 -1.99 0.11 132.00 136.28 1x5p h PRO 27 Ca -0.44 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.80 1x5p h PRO 27 Cb 1.23 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1x5p h PRO 27 CO 0.53 -0.11 0.43 1.15 -0.21 0.00 0.00 178.00 179.78 1x5p h THR 28 N -0.17 0.85 -0.19 -1.15 2.02 -2.00 -1.55 112.91 110.72 1x5p h THR 28 Ca 0.21 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1x5p h THR 28 Cb 0.51 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1x5p h THR 28 CO -0.57 0.07 0.03 0.25 0.37 0.00 0.00 175.52 175.66 1x5p h LEU 29 N 0.36 0.31 -1.63 2.58 6.46 -1.20 -2.81 115.31 119.37 1x5p h LEU 29 Ca 0.30 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1x5p h LEU 29 Cb 0.68 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1x5p h LEU 29 CO -0.08 0.49 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.12 1x5p h LEU 30 N 0.12 0.17 -0.76 2.25 3.38 -0.72 -1.92 115.31 117.83 1x5p h LEU 30 Ca 0.06 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1x5p h LEU 30 Cb 0.31 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1x5p h LEU 30 CO 0.00 0.24 0.43 0.03 0.09 0.00 0.00 178.44 179.23 1x5p h ARG 31 N 0.18 0.73 -0.01 1.13 3.08 -1.12 0.36 114.38 118.74 1x5p h ARG 31 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x5p h ARG 31 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1x5p h ARG 31 CO 0.01 0.49 -0.25 0.41 -1.07 0.00 0.00 179.97 179.56 1x5p n GLY 32 N -1.31 -0.50 0.10 0.04 0.00 -0.94 -2.39 105.19 100.20 1x5p n GLY 32 Ca 0.11 -0.43 -0.12 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 -0.52 1.42 -0.03 4.61 0.00 -0.42 -4.42 120.51 121.15 1x5p n ALA 33 Ca 0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 53.44 52.49 1x5p n ALA 33 Cb 0.36 -0.42 -0.13 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.00 0.46 -0.22 0.00 3.01 0.11 -4.32 117.46 113.50 1x5p n PHE 34 Ca -0.30 0.16 0.02 0.00 1.01 0.00 0.00 57.45 58.33 1x5p n PHE 34 Cb 1.09 -0.96 0.13 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.09 -1.05 4.37 0.87 -1.59 -0.77 113.55 115.46 1x5p h SER 35 Ca -0.28 0.11 0.28 0.00 -1.23 0.00 0.00 61.79 60.67 1x5p h SER 35 Cb 1.76 0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 63.74 1x5p h SER 35 CO 0.03 0.04 0.65 -0.65 -0.53 0.00 0.00 176.83 176.37 1x5p h PRO 36 N 0.32 0.41 0.03 2.24 0.11 -1.77 0.12 132.00 133.45 1x5p h PRO 36 Ca 0.35 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 66.18 1x5p h PRO 36 Cb 0.52 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.55 1x5p h PRO 36 CO -0.41 0.27 -1.04 0.74 -0.21 0.00 0.00 178.00 177.36 1x5p h PHE 37 N 0.43 0.82 -0.95 0.65 -1.00 -1.40 -3.49 116.94 111.98 1x5p h PHE 37 Ca 0.64 -0.46 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1x5p h PHE 37 Cb 1.51 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.99 1x5p h PHE 37 CO -0.00 1.30 0.00 0.41 -1.61 0.00 0.00 178.31 178.40 1x5p n GLY 38 N 1.09 1.04 3.59 -1.45 0.00 0.42 -4.82 105.19 105.06 1x5p n GLY 38 Ca -0.09 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 0.04 6.39 -0.32 1.61 2.47 -1.26 -3.94 114.94 119.93 1x5p s ASN 39 Ca 0.00 0.27 -0.29 0.00 0.42 0.00 0.00 52.86 53.26 1x5p s ASN 39 Cb 0.00 -2.28 0.01 0.00 -1.45 0.00 0.00 41.25 37.52 1x5p s ASN 39 CO 0.00 -0.41 1.28 -0.63 -3.72 0.00 0.00 177.10 173.63 1x5p s ILE 40 N 2.41 4.15 -0.13 -5.21 1.01 -1.26 -2.77 121.20 119.40 1x5p s ILE 40 Ca 0.21 1.28 0.20 0.00 0.00 0.00 0.00 60.65 62.34 1x5p s ILE 40 Cb -0.15 -4.21 -0.30 0.00 0.01 0.00 0.00 42.46 37.80 1x5p s ILE 40 CO 0.12 -0.54 0.49 2.30 0.00 0.00 0.00 174.94 177.31 1x5p n ILE 41 N 6.31 0.00 -3.40 2.92 -5.35 -0.92 -4.88 119.36 114.04 1x5p n ILE 41 Ca 0.15 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 1x5p n ILE 41 Cb 0.47 0.14 -0.10 0.00 -1.74 0.00 0.00 39.64 38.42 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 -4.17 0.74 -0.16 7.28 -1.08 -1.25 -5.00 116.67 113.04 1x5p s ASP 42 Ca -0.06 -0.04 -0.02 0.00 -0.52 0.00 0.00 52.55 51.90 1x5p s ASP 42 Cb 0.13 0.83 0.05 0.00 -1.46 0.00 0.00 42.92 42.47 1x5p s ASP 42 CO 0.84 -0.32 0.02 -0.22 0.52 0.00 0.00 175.17 176.01 1x5p s LEU 43 N 2.46 1.02 0.04 -1.34 2.96 -1.25 0.27 118.68 122.84 1x5p s LEU 43 Ca 0.10 -0.60 0.06 0.00 -0.22 0.00 0.00 54.13 53.48 1x5p s LEU 43 Cb -0.15 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 1x5p s LEU 43 CO -0.17 -0.27 -0.18 -0.44 -1.32 0.00 0.00 176.35 173.97 1x5p s SER 44 N 1.88 2.12 -0.05 3.68 0.01 -1.08 -4.97 113.70 115.29 1x5p s SER 44 Ca 0.01 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1x5p s SER 44 Cb -0.16 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1x5p s SER 44 CO -0.07 0.10 -0.23 -0.04 0.41 0.00 0.00 173.24 173.40 1x5p s MET 45 N -1.19 2.30 -0.41 12.44 -1.94 -1.26 -1.07 119.30 128.16 1x5p s MET 45 Ca 0.05 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 1x5p s MET 45 Cb -0.08 -1.99 0.11 0.00 2.01 0.00 0.00 34.83 34.88 1x5p s MET 45 CO 0.02 0.37 0.14 -0.51 -0.01 0.00 0.00 175.02 175.03 1x5p s ASP 46 N -0.19 4.44 0.28 3.03 1.11 -0.40 -4.98 116.67 119.96 1x5p s ASP 46 Ca -0.02 -2.44 0.02 0.00 0.18 0.00 0.00 52.55 50.29 1x5p s ASP 46 Cb -0.13 -1.50 0.68 0.00 1.07 0.00 0.00 42.92 43.05 1x5p s ASP 46 CO 0.03 -0.32 1.69 -0.65 1.18 0.00 0.00 175.17 177.09 1x5p h PRO 47 N 7.20 0.35 -1.15 8.23 0.11 -1.95 0.11 132.00 144.91 1x5p h PRO 47 Ca -0.06 -0.02 0.32 0.00 0.11 0.00 0.00 66.00 66.35 1x5p h PRO 47 Cb 0.97 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.93 1x5p h PRO 47 CO 0.57 0.23 0.79 -1.35 -0.21 0.00 0.00 178.00 178.03 1x5p h PRO 48 N 0.37 0.15 0.00 1.05 0.11 -1.95 0.15 132.00 131.87 1x5p h PRO 48 Ca 0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1x5p h PRO 48 Cb 1.01 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1x5p h PRO 48 CO -0.54 0.10 -0.01 0.54 -0.21 0.00 0.00 178.00 177.88 1x5p n ARG 49 N -4.38 2.11 -3.55 1.05 5.12 0.04 -4.98 116.66 112.07 1x5p n ARG 49 Ca 0.26 -1.93 -0.27 0.00 -1.93 0.00 0.00 57.85 53.98 1x5p n ARG 49 Cb 1.13 -1.19 -0.05 0.00 -1.16 0.00 0.00 32.46 31.18 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 -0.89 -1.34 -4.57 0.55 4.13 0.51 -4.86 115.26 108.80 1x5p n ASN 50 Ca 0.07 -0.67 -0.26 0.00 1.68 0.00 0.00 54.58 55.40 1x5p n ASN 50 Cb 0.44 -1.20 -0.11 0.00 -1.54 0.00 0.00 39.78 37.37 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 -2.90 -0.14 -0.31 0.00 0.00 0.64 -1.28 121.76 117.77 1x5p s ALA 52 Ca 0.35 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1x5p s ALA 52 Cb 0.10 0.37 0.10 0.00 0.00 0.00 0.00 23.12 23.68 1x5p s ALA 52 CO 0.17 -0.42 0.07 -0.06 0.00 0.00 0.00 175.76 175.51 1x5p s PHE 53 N -3.34 2.42 -0.22 0.00 0.08 -0.24 -0.23 117.98 116.46 1x5p s PHE 53 Ca 0.01 -2.13 -0.12 0.00 0.12 0.00 0.00 56.93 54.81 1x5p s PHE 53 Cb 0.03 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1x5p s PHE 53 CO -0.08 -0.88 0.23 0.08 -0.10 0.00 0.00 175.22 174.46 1x5p s VAL 54 N 1.37 5.32 -0.10 -0.44 1.01 -1.06 -2.64 120.40 123.86 1x5p s VAL 54 Ca 0.08 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 1x5p s VAL 54 Cb -0.18 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1x5p s VAL 54 CO -0.17 0.33 -0.04 -0.89 0.00 0.00 0.00 175.10 174.33 1x5p s THR 55 N 1.06 3.97 -0.01 3.92 2.01 0.14 -1.28 115.64 125.45 1x5p s THR 55 Ca 0.11 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1x5p s THR 55 Cb -0.14 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1x5p s THR 55 CO 0.05 0.57 0.01 -0.31 -0.69 0.00 0.00 174.62 174.25 1x5p s TYR 56 N -0.44 3.12 0.39 4.92 2.02 -0.00 -2.17 117.35 125.19 1x5p s TYR 56 Ca 0.07 0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.94 1x5p s TYR 56 Cb -0.12 -1.69 0.79 0.00 -0.40 0.00 0.00 41.96 40.54 1x5p s TYR 56 CO 0.02 0.48 2.04 1.49 -1.57 0.00 0.00 175.55 178.01 1x5p h GLU 57 N 4.36 0.61 -6.37 -0.62 4.57 -1.85 -3.42 114.58 111.86 1x5p h GLU 57 Ca -0.49 -0.04 -0.66 0.00 -1.18 0.00 0.00 59.36 56.99 1x5p h GLU 57 Cb 1.18 -0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 29.50 1x5p h GLU 57 CO 0.58 0.41 -0.68 0.15 -1.18 0.00 0.00 179.01 178.29 1x5p s LYS 58 N -5.52 2.47 0.41 1.92 3.01 -1.26 -5.01 119.74 115.76 1x5p s LYS 58 Ca -0.09 -0.84 0.20 0.00 -1.01 0.00 0.00 55.97 54.23 1x5p s LYS 58 Cb 0.17 -2.49 0.85 0.00 -1.01 0.00 0.00 37.83 35.35 1x5p s LYS 58 CO 0.74 0.55 1.82 0.00 0.51 0.00 0.00 175.35 178.96 1x5p h MET 59 N 3.70 0.00 -0.64 1.68 -0.00 -1.82 -3.08 114.93 114.76 1x5p h MET 59 Ca -0.48 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.26 1x5p h MET 59 Cb 1.17 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.72 1x5p h MET 59 CO 0.57 0.31 0.37 1.05 -0.00 0.00 0.00 176.91 179.21 1x5p h GLU 60 N 0.00 0.70 -0.17 -0.10 4.11 -1.95 -2.61 114.58 114.56 1x5p h GLU 60 Ca -0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.40 1x5p h GLU 60 Cb 0.75 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1x5p h GLU 60 CO 0.04 0.46 0.08 0.77 0.07 0.00 0.00 179.01 180.43 1x5p h SER 61 N 0.72 0.12 -0.92 3.06 0.02 -1.85 -1.09 113.55 113.60 1x5p h SER 61 Ca 0.27 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.35 1x5p h SER 61 Cb 0.10 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 62.49 1x5p h SER 61 CO -0.14 0.09 -0.46 0.00 -1.14 0.00 0.00 176.83 175.19 1x5p h ALA 62 N 1.09 -0.15 -0.39 3.77 0.00 -1.55 0.47 119.26 122.50 1x5p h ALA 62 Ca 0.07 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1x5p h ALA 62 Cb 0.02 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1x5p h ALA 62 CO -0.05 -0.77 -0.11 0.22 0.00 0.00 0.00 179.25 178.54 1x5p h ASP 63 N -0.04 0.77 0.13 0.00 1.82 -1.49 -2.72 116.42 114.89 1x5p h ASP 63 Ca 0.26 -0.37 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1x5p h ASP 63 Cb 0.53 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1x5p h ASP 63 CO -0.92 0.97 -0.12 1.56 -1.61 0.00 0.00 179.24 179.12 1x5p h GLN 64 N 0.57 -0.24 -0.56 0.28 4.20 0.55 -0.78 115.11 119.14 1x5p h GLN 64 Ca 0.10 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.90 1x5p h GLN 64 Cb 0.64 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.37 1x5p h GLN 64 CO 0.04 -0.16 -0.47 0.00 -0.67 0.00 0.00 178.83 177.57 1x5p h ALA 65 N -1.57 -0.44 -0.10 3.87 0.00 -0.31 0.95 119.26 121.66 1x5p h ALA 65 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1x5p h ALA 65 Cb 0.21 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x5p h ALA 65 CO -0.01 -0.89 0.33 0.28 0.00 0.00 0.00 179.25 178.97 1x5p h VAL 66 N -0.26 0.11 0.14 0.00 2.07 -1.43 1.74 116.25 118.62 1x5p h VAL 66 Ca 0.15 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.35 1x5p h VAL 66 Cb 0.56 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1x5p h VAL 66 CO -0.68 0.00 -1.59 0.00 0.02 0.00 0.00 177.57 175.32 1x5p h ALA 67 N 1.43 0.22 0.00 1.67 0.00 0.24 -3.26 119.26 119.56 1x5p h ALA 67 Ca 0.05 -1.11 -0.07 0.00 0.00 0.00 0.00 54.91 53.78 1x5p h ALA 67 Cb 0.71 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1x5p h ALA 67 CO -0.00 1.09 -1.11 0.39 0.00 0.00 0.00 179.25 179.62 1x5p n GLU 68 N -3.50 0.52 0.21 0.00 1.02 0.40 -4.36 120.64 114.93 1x5p n GLU 68 Ca -0.19 0.30 0.17 0.00 -0.02 0.00 0.00 57.16 57.42 1x5p n GLU 68 Cb 1.06 -1.50 0.75 0.00 -0.02 0.00 0.00 31.44 31.72 1x5p n GLU 68 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1x5p h LEU 69 N -1.00 0.00 -9.17 -4.62 3.38 0.22 -3.36 115.31 100.77 1x5p h LEU 69 Ca -0.10 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.30 1x5p h LEU 69 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1x5p h LEU 69 CO -0.06 0.00 1.33 -3.20 0.09 0.00 0.00 178.44 176.60 1x5p n ASN 70 N -3.28 3.67 -2.06 -0.43 2.85 -1.20 -1.36 115.26 113.46 1x5p n ASN 70 Ca 0.03 0.62 -0.20 0.00 -0.11 0.00 0.00 54.58 54.91 1x5p n ASN 70 Cb 0.54 -1.51 -0.04 0.00 1.24 0.00 0.00 39.78 40.00 1x5p n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5p n GLY 71 N 5.09 0.52 3.90 8.20 0.00 -0.94 -4.95 105.19 117.00 1x5p n GLY 71 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.89 4.87 -0.44 2.61 -1.32 -0.46 -4.87 115.64 113.14 1x5p s THR 72 Ca 0.00 0.34 0.03 0.00 -1.21 0.00 0.00 61.69 60.85 1x5p s THR 72 Cb 0.00 -3.85 0.12 0.00 -1.51 0.00 0.00 72.50 67.26 1x5p s THR 72 CO 0.00 -0.84 0.18 -1.58 -2.21 0.00 0.00 174.62 170.17 1x5p s GLN 73 N -4.66 1.81 -0.06 7.08 0.74 -1.26 -0.89 119.66 122.42 1x5p s GLN 73 Ca 0.49 -2.23 0.03 0.00 0.05 0.00 0.00 55.36 53.69 1x5p s GLN 73 Cb -0.10 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 1x5p s GLN 73 CO 0.44 -1.04 -0.11 0.14 -0.55 0.00 0.00 175.29 174.17 1x5p s VAL 74 N 0.35 3.31 -1.38 1.34 -7.23 -0.49 -4.57 120.40 111.73 1x5p s VAL 74 Ca 0.14 -0.63 -0.05 0.00 -1.81 0.00 0.00 61.98 59.63 1x5p s VAL 74 Cb -0.22 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.42 1x5p s VAL 74 CO -0.04 0.59 0.38 -0.62 -0.31 0.00 0.00 175.10 175.11 1x5p n GLU 75 N 2.28 -3.53 -2.29 4.82 -0.58 -1.26 -0.24 120.64 119.85 1x5p n GLU 75 Ca -0.17 0.70 -0.16 0.00 -0.42 0.00 0.00 57.16 57.11 1x5p n GLU 75 Cb 0.52 -5.44 -0.01 0.00 -0.57 0.00 0.00 31.44 25.94 1x5p n GLU 75 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x5p n SER 76 N -2.25 -4.76 -3.75 1.62 7.64 -1.26 -4.99 113.62 105.87 1x5p n SER 76 Ca -0.10 -0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.58 1x5p n SER 76 Cb 0.60 -3.88 -0.17 0.00 -1.01 0.00 0.00 64.21 59.75 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 -2.79 0.07 -0.37 0.44 1.01 0.67 -5.03 120.40 114.39 1x5p s VAL 77 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1x5p s VAL 77 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1x5p s VAL 77 CO 0.00 0.17 1.24 -1.10 0.00 0.00 0.00 175.10 175.41 1x5p s GLN 78 N 1.65 3.82 -0.13 2.72 -0.21 -1.26 -1.40 119.66 124.86 1x5p s GLN 78 Ca -0.01 0.97 -0.07 0.00 0.02 0.00 0.00 55.36 56.27 1x5p s GLN 78 Cb -0.13 -3.89 -0.04 0.00 1.00 0.00 0.00 33.01 29.95 1x5p s GLN 78 CO -0.03 -1.24 0.12 -0.51 -2.12 0.00 0.00 175.29 171.51 1x5p s LEU 79 N 4.49 4.27 -0.31 2.90 1.43 -0.07 -4.51 118.68 126.88 1x5p s LEU 79 Ca 0.53 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1x5p s LEU 79 Cb -0.13 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.12 1x5p s LEU 79 CO 0.26 0.36 0.01 -0.54 0.23 0.00 0.00 176.35 176.67 1x5p s LYS 80 N -0.76 2.14 0.08 1.70 1.02 -0.45 -2.22 119.74 121.26 1x5p s LYS 80 Ca 0.13 -1.48 0.04 0.00 0.02 0.00 0.00 55.97 54.68 1x5p s LYS 80 Cb -0.12 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1x5p s LYS 80 CO 0.03 -0.73 0.05 0.08 -0.92 0.00 0.00 175.35 173.86 1x5p s VAL 81 N 1.13 4.36 -0.02 3.17 1.01 -1.26 0.22 120.40 129.01 1x5p s VAL 81 Ca -0.01 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1x5p s VAL 81 Cb -0.20 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1x5p s VAL 81 CO -0.04 0.13 0.42 0.20 0.00 0.00 0.00 175.10 175.82 1x5p s ASN 82 N -2.34 -0.33 -0.67 3.32 0.01 0.13 -4.61 114.94 110.45 1x5p s ASN 82 Ca 0.28 0.27 -0.26 0.00 -0.71 0.00 0.00 52.86 52.43 1x5p s ASN 82 Cb -0.12 0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 1x5p s ASN 82 CO 0.20 -0.51 1.99 -0.63 -1.51 0.00 0.00 177.10 176.64 1x5p s ILE 83 N -1.35 3.31 -0.54 0.60 -1.09 -1.26 0.33 121.20 121.20 1x5p s ILE 83 Ca -0.12 0.03 -0.32 0.00 -2.23 0.00 0.00 60.65 58.01 1x5p s ILE 83 Cb -0.03 -3.78 -0.13 0.00 -1.58 0.00 0.00 42.46 36.94 1x5p s ILE 83 CO 0.06 -0.75 2.37 0.00 -1.23 0.00 0.00 174.94 175.38 1x5p n ALA 84 N 13.80 0.81 -0.05 9.38 0.00 -1.25 -4.81 120.51 138.39 1x5p n ALA 84 Ca 0.29 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1x5p n ALA 84 Cb 0.51 -2.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 1x5p n ALA 84 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1x5p h ARG 85 N 14.12 0.16 -6.16 0.00 2.43 -1.94 -3.36 114.38 119.62 1x5p h ARG 85 Ca -0.21 -0.01 -0.56 0.00 -0.81 0.00 0.00 59.98 58.39 1x5p h ARG 85 Cb 1.31 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.73 1x5p h ARG 85 CO 1.14 0.10 0.99 0.15 -1.51 0.00 0.00 179.97 180.85 1x5p s LYS 86 N -6.18 3.21 -0.69 0.20 -0.14 -1.26 -4.93 119.74 109.94 1x5p s LYS 86 Ca -0.13 -0.43 0.05 0.00 -1.36 0.00 0.00 55.97 54.10 1x5p s LYS 86 Cb 0.10 -4.28 0.17 0.00 -1.68 0.00 0.00 37.83 32.13 1x5p s LYS 86 CO 0.69 -2.09 0.48 -0.65 -0.76 0.00 0.00 175.35 173.02 1x5p s GLN 87 N 5.35 2.43 0.00 1.68 -0.21 -1.26 -4.91 119.66 122.74 1x5p s GLN 87 Ca 0.33 -3.30 0.15 0.00 0.02 0.00 0.00 55.36 52.56 1x5p s GLN 87 Cb -0.09 -3.42 0.81 0.00 1.00 0.00 0.00 33.01 31.31 1x5p s GLN 87 CO 0.12 -1.27 1.38 -0.35 -2.12 0.00 0.00 175.29 173.05 1x5p n PRO 88 N 2.05 0.31 -3.42 2.91 -0.04 -1.26 -4.58 135.00 130.96 1x5p n PRO 88 Ca 0.19 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.33 1x5p n PRO 88 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1x5p n PRO 88 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1x5p s MET 89 N -2.37 3.41 -0.22 0.54 -1.94 -1.26 -5.05 119.30 112.41 1x5p s MET 89 Ca 0.17 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.58 1x5p s MET 89 Cb 0.10 -3.85 0.03 0.00 2.01 0.00 0.00 34.83 33.13 1x5p s MET 89 CO 0.21 -0.58 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.00 1x5p s LEU 90 N 1.93 2.85 -0.10 -0.03 2.01 -1.26 -4.96 118.68 119.13 1x5p s LEU 90 Ca 0.10 -0.93 -0.30 0.00 0.01 0.00 0.00 54.13 53.01 1x5p s LEU 90 Cb -0.17 -1.56 -0.03 0.00 0.01 0.00 0.00 46.19 44.44 1x5p s LEU 90 CO 0.12 -0.09 1.35 -0.62 1.01 0.00 0.00 176.35 178.11 1x5p s ASP 91 N 1.25 6.90 -0.10 2.29 -1.08 -1.26 -5.00 116.67 119.67 1x5p s ASP 91 Ca -0.00 1.89 -0.04 0.00 -0.52 0.00 0.00 52.55 53.87 1x5p s ASP 91 Cb -0.16 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.80 1x5p s ASP 91 CO -0.08 -0.75 0.22 -0.55 0.52 0.00 0.00 175.17 174.52 1x5p s SER 92 N 2.11 -0.11 0.00 -0.34 0.15 -1.26 -5.12 113.70 109.13 1x5p s SER 92 Ca 0.60 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1x5p s SER 92 Cb -0.26 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1x5p s SER 92 CO 0.21 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1x5p n GLY 93 N 4.39 4.36 3.57 9.45 0.00 -1.26 -5.04 105.19 120.66 1x5p n GLY 93 Ca -0.23 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -4.97 2.99 -0.10 1.61 0.04 -1.26 -4.86 135.00 128.45 1x5p s PRO 94 Ca 0.00 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 61.97 1x5p s PRO 94 Cb 0.00 -4.28 0.06 0.00 0.04 0.00 0.00 34.50 30.32 1x5p s PRO 94 CO 0.00 -2.29 2.02 0.43 0.04 0.00 0.00 177.00 177.20 1x5p n SER 95 N 11.42 5.69 -4.26 6.66 7.64 -1.26 -4.77 113.62 134.74 1x5p n SER 95 Ca 0.21 -2.61 -0.37 0.00 1.01 0.00 0.00 58.87 57.11 1x5p n SER 95 Cb 0.50 -1.11 -0.08 0.00 -1.01 0.00 0.00 64.21 62.51 1x5p n SER 95 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5p n SER 96 N 1.16 -1.23 0.00 6.43 7.64 -1.26 -5.32 113.62 121.04 1x5p n SER 96 Ca 0.09 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1x5p n SER 96 Cb 0.53 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64