#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5p h SER 2 N 0.00 0.39 -3.86 1.61 0.87 -2.09 -3.44 113.55 107.03 1x5p h SER 2 Ca 0.00 -0.53 -0.55 0.00 -1.23 0.00 0.00 61.79 59.48 1x5p h SER 2 Cb 0.00 -0.11 0.12 0.00 -0.44 0.00 0.00 62.40 61.97 1x5p h SER 2 CO 0.00 0.84 0.67 -1.20 -0.53 0.00 0.00 176.83 176.61 1x5p n SER 3 N -4.51 3.24 0.00 6.23 7.64 -1.26 -4.89 113.62 120.06 1x5p n SER 3 Ca -0.07 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1x5p n SER 3 Cb 0.40 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1x5p n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5p n GLY 4 N 0.61 -1.08 4.11 0.23 0.00 -1.26 -4.96 105.19 102.84 1x5p n GLY 4 Ca 0.05 0.43 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 1x5p n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5p n SER 5 N 0.00 -0.28 -4.40 1.61 3.41 -1.26 -4.83 113.62 107.88 1x5p n SER 5 Ca 0.00 -1.10 -0.44 0.00 -0.26 0.00 0.00 58.87 57.07 1x5p n SER 5 Cb 0.00 -1.39 -0.04 0.00 -0.26 0.00 0.00 64.21 62.53 1x5p n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5p s SER 6 N -3.63 6.27 -1.44 4.04 0.01 -1.26 -4.55 113.70 113.13 1x5p s SER 6 Ca 0.33 -1.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.02 1x5p s SER 6 Cb -0.19 -2.34 0.10 0.00 0.21 0.00 0.00 66.02 63.80 1x5p s SER 6 CO 0.88 -1.16 0.25 0.61 0.41 0.00 0.00 173.24 174.23 1x5p n GLY 7 N 5.25 -0.22 3.68 3.44 0.00 -1.26 -4.78 105.19 111.31 1x5p n GLY 7 Ca -0.03 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1x5p n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5p s GLU 8 N -6.45 4.19 0.45 1.61 -1.05 -1.26 -5.00 118.70 111.18 1x5p s GLU 8 Ca 0.36 2.36 0.08 0.00 -0.15 0.00 0.00 54.97 57.61 1x5p s GLU 8 Cb -0.21 -3.70 0.01 0.00 -0.44 0.00 0.00 34.13 29.79 1x5p s GLU 8 CO 0.85 -0.78 0.47 1.03 0.95 0.00 0.00 175.26 177.79 1x5p s ARG 9 N 2.99 2.53 0.17 -4.83 0.52 -1.26 -5.14 118.95 113.93 1x5p s ARG 9 Ca 0.76 -1.55 0.09 0.00 -0.52 0.00 0.00 55.73 54.51 1x5p s ARG 9 Cb -0.40 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 1x5p s ARG 9 CO 0.33 -0.35 -0.19 -0.98 0.02 0.00 0.00 175.30 174.13 1x5p s ARG 10 N -4.26 1.31 0.23 3.54 1.04 -1.26 -5.16 118.95 114.39 1x5p s ARG 10 Ca 0.50 -1.42 0.11 0.00 -1.04 0.00 0.00 55.73 53.87 1x5p s ARG 10 Cb -0.05 -1.40 -0.05 0.00 -2.04 0.00 0.00 34.95 31.42 1x5p s ARG 10 CO 0.30 0.29 -0.15 0.00 -0.04 0.00 0.00 175.30 175.69 1x5p s ALA 11 N -2.00 2.81 0.01 7.88 0.00 -1.26 -5.10 121.76 124.10 1x5p s ALA 11 Ca 0.16 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 1x5p s ALA 11 Cb -0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1x5p s ALA 11 CO 0.07 0.36 1.44 -1.25 0.00 0.00 0.00 175.76 176.38 1x5p s PRO 12 N -3.17 4.27 -0.38 0.00 0.04 -1.26 -4.92 135.00 129.58 1x5p s PRO 12 Ca 0.27 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 1x5p s PRO 12 Cb -0.07 -3.59 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 1x5p s PRO 12 CO 0.15 -0.61 2.33 -0.98 0.04 0.00 0.00 177.00 177.92 1x5p s ARG 13 N 2.49 2.53 -0.07 4.56 1.70 -1.26 -4.91 118.95 123.99 1x5p s ARG 13 Ca 0.65 1.66 -0.19 0.00 -0.47 0.00 0.00 55.73 57.39 1x5p s ARG 13 Cb -0.33 -4.50 0.04 0.00 -0.57 0.00 0.00 34.95 29.60 1x5p s ARG 13 CO 0.27 -2.79 0.44 0.15 -1.08 0.00 0.00 175.30 172.29 1x5p s LYS 14 N 7.46 0.72 0.00 3.89 1.02 -1.26 -5.03 119.74 126.53 1x5p s LYS 14 Ca 0.99 0.16 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1x5p s LYS 14 Cb -0.24 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1x5p s LYS 14 CO 0.30 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1x5p n GLY 15 N 1.66 3.43 0.03 -3.33 0.00 -1.26 -5.01 105.19 100.71 1x5p n GLY 15 Ca -0.19 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 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 3.53 -4.87 1.61 6.94 -1.26 -4.50 115.26 116.72 1x5p n ASN 16 Ca 0.00 -0.03 -0.31 0.00 -0.02 0.00 0.00 54.58 54.21 1x5p n ASN 16 Cb 0.00 -0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 37.32 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 -2.12 4.79 -0.05 5.53 2.01 -1.26 -2.29 115.64 122.24 1x5p s THR 17 Ca -0.08 0.69 0.02 0.00 0.31 0.00 0.00 61.69 62.63 1x5p s THR 17 Cb 0.02 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1x5p s THR 17 CO 0.15 -0.27 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.93 1x5p s LEU 18 N -3.25 1.66 -0.70 4.42 1.43 0.10 -4.06 118.68 118.28 1x5p s LEU 18 Ca 0.51 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 1x5p s LEU 18 Cb -0.10 -0.74 0.07 0.00 0.03 0.00 0.00 46.19 45.45 1x5p s LEU 18 CO 0.23 0.04 1.03 -0.47 0.23 0.00 0.00 176.35 177.41 1x5p s TYR 19 N 0.53 2.66 -0.02 0.29 6.14 0.66 -1.80 117.35 125.83 1x5p s TYR 19 Ca -0.11 -0.57 -0.14 0.00 0.64 0.00 0.00 57.07 56.89 1x5p s TYR 19 Cb -0.14 -4.34 -0.05 0.00 0.42 0.00 0.00 41.96 37.85 1x5p s TYR 19 CO 0.02 -1.69 0.37 0.08 0.64 0.00 0.00 175.55 174.98 1x5p s VAL 20 N 4.16 5.09 -0.05 3.14 1.01 0.12 -0.68 120.40 133.18 1x5p s VAL 20 Ca 0.25 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 1x5p s VAL 20 Cb -0.14 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1x5p s VAL 20 CO 0.09 0.58 0.09 -0.47 0.00 0.00 0.00 175.10 175.38 1x5p s TYR 21 N -1.01 -0.03 0.00 5.22 5.04 0.14 0.43 117.35 127.14 1x5p s TYR 21 Ca 0.23 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1x5p s TYR 21 Cb -0.16 -0.35 0.00 0.00 0.35 0.00 0.00 41.96 41.80 1x5p s TYR 21 CO 0.12 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 174.55 1x5p n GLY 22 N 5.03 5.44 1.57 8.97 0.00 -0.94 0.77 105.19 126.04 1x5p n GLY 22 Ca -0.10 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.95 1.61 -0.58 -1.26 -4.79 120.64 113.67 1x5p n GLU 23 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1x5p n GLU 23 Cb 0.00 -0.19 0.03 0.00 -0.57 0.00 0.00 31.44 30.71 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1x5p n ASP 24 N -3.33 5.69 -4.79 1.62 9.92 -1.26 -5.02 116.55 119.39 1x5p n ASP 24 Ca 0.00 -3.76 -0.36 0.00 -0.53 0.00 0.00 54.79 50.14 1x5p n ASP 24 Cb 0.00 -0.56 -0.08 0.00 -0.64 0.00 0.00 41.12 39.85 1x5p n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5p s MET 25 N -3.68 3.23 0.20 -1.24 0.23 -1.26 -4.93 119.30 111.85 1x5p s MET 25 Ca 0.54 -0.26 0.09 0.00 -1.03 0.00 0.00 55.69 55.02 1x5p s MET 25 Cb 0.43 -3.00 -0.04 0.00 -1.53 0.00 0.00 34.83 30.69 1x5p s MET 25 CO -0.05 0.74 -0.08 0.95 -2.03 0.00 0.00 175.02 174.55 1x5p s THR 26 N -0.95 3.24 0.11 3.16 -4.23 -1.26 -5.04 115.64 110.67 1x5p s THR 26 Ca 0.14 -1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 58.64 1x5p s THR 26 Cb -0.12 -2.63 -0.11 0.00 1.34 0.00 0.00 72.50 70.98 1x5p s THR 26 CO 0.03 -0.16 1.49 -0.65 -0.54 0.00 0.00 174.62 174.79 1x5p h PRO 27 N 2.71 -0.47 -1.04 3.99 0.11 -1.99 0.17 132.00 135.49 1x5p h PRO 27 Ca -0.46 0.03 0.28 0.00 0.11 0.00 0.00 66.00 65.96 1x5p h PRO 27 Cb 1.21 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.36 1x5p h PRO 27 CO 0.56 -0.31 0.71 1.15 -0.21 0.00 0.00 178.00 179.89 1x5p h THR 28 N -0.48 0.51 -0.07 -1.15 2.02 -2.00 0.37 112.91 112.10 1x5p h THR 28 Ca 0.04 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1x5p h THR 28 Cb 0.59 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1x5p h THR 28 CO -0.42 0.04 -0.00 0.25 0.37 0.00 0.00 175.52 175.75 1x5p h LEU 29 N 0.21 0.12 -2.19 2.58 6.46 -1.40 -2.83 115.31 118.26 1x5p h LEU 29 Ca 0.54 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1x5p h LEU 29 Cb 1.72 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.62 1x5p h LEU 29 CO -0.14 0.42 0.01 -0.07 -0.62 0.00 0.00 178.44 178.03 1x5p h LEU 30 N -0.17 0.00 -0.88 2.25 3.38 -0.10 -0.24 115.31 119.55 1x5p h LEU 30 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1x5p h LEU 30 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1x5p h LEU 30 CO 0.00 0.00 0.26 0.03 0.09 0.00 0.00 178.44 178.82 1x5p h ARG 31 N 0.00 1.08 0.00 1.13 3.08 -1.13 0.46 114.38 119.00 1x5p h ARG 31 Ca 0.01 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1x5p h ARG 31 Cb 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1x5p h ARG 31 CO -0.00 0.90 -0.75 0.41 -1.07 0.00 0.00 179.97 179.46 1x5p n GLY 32 N -0.87 -1.20 0.09 0.04 0.00 -0.62 -2.39 105.19 100.25 1x5p n GLY 32 Ca 0.06 -0.41 -0.10 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 -1.61 1.48 0.00 4.61 0.00 -0.20 -4.35 120.51 120.44 1x5p n ALA 33 Ca 0.04 -1.05 0.06 0.00 0.00 0.00 0.00 53.44 52.49 1x5p n ALA 33 Cb 0.37 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.92 0.34 -0.18 0.00 3.01 0.16 -4.33 117.46 113.54 1x5p n PHE 34 Ca -0.26 0.11 -0.02 0.00 1.01 0.00 0.00 57.45 58.28 1x5p n PHE 34 Cb 1.10 -0.77 0.08 0.00 -0.01 0.00 0.00 39.48 39.87 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 0.26 -0.41 4.37 0.87 -1.60 -1.03 113.55 116.00 1x5p h SER 35 Ca -0.13 0.06 0.12 0.00 -1.23 0.00 0.00 61.79 60.61 1x5p h SER 35 Cb 1.32 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 1x5p h SER 35 CO 0.01 0.17 0.69 -0.65 -0.53 0.00 0.00 176.83 176.53 1x5p h PRO 36 N 0.42 0.00 0.08 2.24 0.11 -1.77 0.42 132.00 133.51 1x5p h PRO 36 Ca 0.26 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.04 1x5p h PRO 36 Cb 0.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1x5p h PRO 36 CO -0.24 0.00 -1.80 0.74 -0.21 0.00 0.00 178.00 176.49 1x5p h PHE 37 N 0.00 0.32 0.00 0.65 0.04 -1.46 -3.51 116.94 112.99 1x5p h PHE 37 Ca 0.20 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1x5p h PHE 37 Cb 1.58 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.72 1x5p h PHE 37 CO 0.00 1.44 0.00 0.41 -0.60 0.00 0.00 178.31 179.56 1x5p n GLY 38 N 1.78 -0.61 3.82 -1.45 0.00 0.15 -4.81 105.19 104.06 1x5p n GLY 38 Ca -0.24 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.00 6.58 -0.38 1.61 2.47 -1.26 -4.20 114.94 115.75 1x5p s ASN 39 Ca 0.00 0.69 -0.14 0.00 0.42 0.00 0.00 52.86 53.82 1x5p s ASN 39 Cb 0.00 -2.18 0.01 0.00 -1.45 0.00 0.00 41.25 37.63 1x5p s ASN 39 CO 0.00 0.29 0.30 -0.63 -3.72 0.00 0.00 177.10 173.33 1x5p s ILE 40 N -0.64 5.25 -0.05 -5.21 1.01 -1.26 -2.14 121.20 118.17 1x5p s ILE 40 Ca 0.19 -0.44 0.22 0.00 0.00 0.00 0.00 60.65 60.61 1x5p s ILE 40 Cb -0.14 -3.86 -0.33 0.00 0.01 0.00 0.00 42.46 38.14 1x5p s ILE 40 CO 0.08 -0.21 0.45 2.30 0.00 0.00 0.00 174.94 177.56 1x5p n ILE 41 N 5.17 0.14 -3.44 2.92 -5.35 -1.01 -4.86 119.36 112.93 1x5p n ILE 41 Ca -0.11 -0.54 -0.17 0.00 -0.27 0.00 0.00 62.75 61.67 1x5p n ILE 41 Cb 0.48 -0.05 -0.11 0.00 -1.74 0.00 0.00 39.64 38.22 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 -4.62 1.37 -0.17 7.28 2.15 -1.25 -5.01 116.67 116.42 1x5p s ASP 42 Ca -0.08 -0.35 -0.00 0.00 0.43 0.00 0.00 52.55 52.54 1x5p s ASP 42 Cb 0.13 0.51 0.04 0.00 -0.30 0.00 0.00 42.92 43.30 1x5p s ASP 42 CO 0.90 -0.35 -0.06 -0.22 -0.17 0.00 0.00 175.17 175.27 1x5p s LEU 43 N 2.36 1.68 0.12 -1.34 2.96 -1.26 0.27 118.68 123.48 1x5p s LEU 43 Ca 0.09 -0.67 0.10 0.00 -0.22 0.00 0.00 54.13 53.43 1x5p s LEU 43 Cb -0.15 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1x5p s LEU 43 CO -0.20 -0.17 -0.24 -0.55 -1.32 0.00 0.00 176.35 173.87 1x5p s SER 44 N 1.60 2.98 -0.00 3.68 0.15 -0.84 -4.97 113.70 116.30 1x5p s SER 44 Ca 0.01 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 55.97 1x5p s SER 44 Cb -0.15 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1x5p s SER 44 CO -0.08 0.13 -0.09 -0.04 1.20 0.00 0.00 173.24 174.36 1x5p s MET 45 N -1.98 0.70 -0.36 5.44 -1.94 -1.26 -0.98 119.30 118.92 1x5p s MET 45 Ca 0.11 -0.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.77 1x5p s MET 45 Cb -0.10 -0.67 0.12 0.00 2.01 0.00 0.00 34.83 36.18 1x5p s MET 45 CO 0.05 0.18 0.15 -0.51 -0.01 0.00 0.00 175.02 174.89 1x5p s ASP 46 N -0.25 3.88 0.28 3.03 1.01 0.07 -4.99 116.67 119.71 1x5p s ASP 46 Ca 0.03 -2.08 0.02 0.00 0.71 0.00 0.00 52.55 51.24 1x5p s ASP 46 Cb -0.04 -0.95 0.69 0.00 1.01 0.00 0.00 42.92 43.63 1x5p s ASP 46 CO -0.00 -0.35 1.69 -0.65 0.21 0.00 0.00 175.17 176.07 1x5p h PRO 47 N 7.48 0.36 -0.21 8.23 0.11 -1.95 0.21 132.00 146.24 1x5p h PRO 47 Ca -0.07 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.05 1x5p h PRO 47 Cb 0.98 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.94 1x5p h PRO 47 CO 0.47 0.24 -0.55 -1.35 -0.21 0.00 0.00 178.00 176.60 1x5p h PRO 48 N 0.37 -0.52 -0.18 1.05 0.11 -1.94 -0.55 132.00 130.34 1x5p h PRO 48 Ca 0.54 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1x5p h PRO 48 Cb 1.01 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1x5p h PRO 48 CO -0.53 -0.34 0.00 0.54 -0.21 0.00 0.00 178.00 177.45 1x5p n ARG 49 N -5.42 1.68 -3.34 1.05 5.12 -0.93 -4.91 116.66 109.91 1x5p n ARG 49 Ca -0.05 -1.02 -0.22 0.00 -1.93 0.00 0.00 57.85 54.62 1x5p n ARG 49 Cb 0.37 -1.36 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 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 0.26 -3.24 -4.14 0.55 3.02 0.70 -4.91 115.26 107.50 1x5p n ASN 50 Ca 0.15 -0.35 -0.27 0.00 -0.03 0.00 0.00 54.58 54.07 1x5p n ASN 50 Cb 0.30 -2.71 -0.07 0.00 -0.61 0.00 0.00 39.78 36.69 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 -2.95 -1.29 -0.28 0.00 0.00 0.17 -0.75 121.76 116.66 1x5p s ALA 52 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 1x5p s ALA 52 Cb 0.00 0.83 0.09 0.00 0.00 0.00 0.00 23.12 24.04 1x5p s ALA 52 CO 0.07 -1.02 0.09 -0.06 0.00 0.00 0.00 175.76 174.84 1x5p s PHE 53 N -3.84 1.23 -0.18 0.00 0.08 -0.15 -0.71 117.98 114.42 1x5p s PHE 53 Ca 0.10 -1.34 -0.09 0.00 0.12 0.00 0.00 56.93 55.72 1x5p s PHE 53 Cb -0.05 -1.37 -0.05 0.00 -0.57 0.00 0.00 43.02 40.98 1x5p s PHE 53 CO 0.05 -0.81 0.13 0.08 -0.10 0.00 0.00 175.22 174.57 1x5p s VAL 54 N 1.78 5.38 -0.06 -0.44 1.01 -0.74 -1.99 120.40 125.34 1x5p s VAL 54 Ca 0.07 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1x5p s VAL 54 Cb -0.17 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1x5p s VAL 54 CO -0.24 0.48 -0.15 -0.89 0.00 0.00 0.00 175.10 174.30 1x5p s THR 55 N 0.03 2.99 -0.07 3.92 2.01 0.14 0.02 115.64 124.68 1x5p s THR 55 Ca 0.09 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1x5p s THR 55 Cb -0.11 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1x5p s THR 55 CO -0.00 0.58 0.02 -0.31 -0.69 0.00 0.00 174.62 174.22 1x5p s TYR 56 N -0.56 3.20 0.62 4.92 2.02 -0.97 -2.41 117.35 124.17 1x5p s TYR 56 Ca 0.08 0.21 0.29 0.00 -0.37 0.00 0.00 57.07 57.28 1x5p s TYR 56 Cb -0.11 -1.78 1.55 0.00 -0.40 0.00 0.00 41.96 41.22 1x5p s TYR 56 CO 0.01 0.50 1.93 1.49 -1.57 0.00 0.00 175.55 177.91 1x5p h GLU 57 N 4.96 0.00 -5.59 -0.62 4.81 -1.78 -3.41 114.58 112.94 1x5p h GLU 57 Ca -0.51 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.23 1x5p h GLU 57 Cb 1.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 1x5p h GLU 57 CO 0.56 0.00 -0.70 0.15 -0.73 0.00 0.00 179.01 178.28 1x5p s LYS 58 N -4.41 1.49 0.09 1.92 1.02 -1.26 -5.05 119.74 113.54 1x5p s LYS 58 Ca -0.04 -1.72 0.08 0.00 0.02 0.00 0.00 55.97 54.31 1x5p s LYS 58 Cb 0.13 -1.20 -0.21 0.00 -0.52 0.00 0.00 37.83 36.03 1x5p s LYS 58 CO 0.44 0.11 1.15 0.00 -0.92 0.00 0.00 175.35 176.13 1x5p h MET 59 N 2.36 0.00 -0.77 1.68 -0.00 -1.80 -3.32 114.93 113.08 1x5p h MET 59 Ca -0.39 0.00 0.09 0.00 -0.00 0.00 0.00 59.70 59.40 1x5p h MET 59 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.76 1x5p h MET 59 CO 0.65 0.88 0.42 1.05 -0.00 0.00 0.00 176.91 179.91 1x5p h GLU 60 N 0.00 0.70 -0.50 -0.10 4.11 -1.96 -1.16 114.58 115.68 1x5p h GLU 60 Ca -0.07 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 1x5p h GLU 60 Cb 1.82 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 1x5p h GLU 60 CO 0.12 0.46 0.06 0.77 0.07 0.00 0.00 179.01 180.50 1x5p h SER 61 N 0.72 0.74 -0.16 3.06 0.02 -1.88 -2.28 113.55 113.78 1x5p h SER 61 Ca 0.37 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1x5p h SER 61 Cb 0.34 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 1x5p h SER 61 CO -0.24 0.77 -0.32 0.00 -1.14 0.00 0.00 176.83 175.89 1x5p h ALA 62 N 1.33 -0.35 -0.08 3.77 0.00 -1.32 0.18 119.26 122.79 1x5p h ALA 62 Ca 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1x5p h ALA 62 Cb 0.36 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1x5p h ALA 62 CO 0.01 -0.79 -0.34 -0.44 0.00 0.00 0.00 179.25 177.69 1x5p h ASP 63 N -0.38 0.15 0.44 0.00 3.32 -1.44 -2.93 116.42 115.59 1x5p h ASP 63 Ca 0.10 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1x5p h ASP 63 Cb 0.54 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1x5p h ASP 63 CO -0.37 0.49 -0.21 1.56 -1.72 0.00 0.00 179.24 178.99 1x5p h GLN 64 N 0.13 -0.57 -0.34 3.56 4.20 -0.60 -2.16 115.11 119.33 1x5p h GLN 64 Ca 0.02 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.83 1x5p h GLN 64 Cb 0.67 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.50 1x5p h GLN 64 CO 0.05 -0.38 -0.45 0.00 -0.67 0.00 0.00 178.83 177.38 1x5p h ALA 65 N -1.70 -0.52 0.00 3.87 0.00 -1.07 0.73 119.26 120.56 1x5p h ALA 65 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x5p h ALA 65 Cb 0.45 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1x5p h ALA 65 CO 0.10 -0.91 0.23 0.28 0.00 0.00 0.00 179.25 178.96 1x5p h VAL 66 N -0.38 0.00 0.11 0.00 2.07 -1.56 1.27 116.25 117.76 1x5p h VAL 66 Ca 0.11 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.28 1x5p h VAL 66 Cb 0.60 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1x5p h VAL 66 CO -0.54 0.00 -1.99 0.00 0.02 0.00 0.00 177.57 175.06 1x5p n ALA 67 N -1.67 0.93 -0.09 1.67 0.00 0.24 -3.97 120.51 117.61 1x5p n ALA 67 Ca -0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 1x5p n ALA 67 Cb 0.26 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1x5p n ALA 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5p n GLU 68 N -3.54 0.52 0.15 0.00 -0.58 0.11 -4.34 120.64 112.97 1x5p n GLU 68 Ca -0.33 0.28 0.07 0.00 -0.42 0.00 0.00 57.16 56.76 1x5p n GLU 68 Cb 1.02 -1.49 0.40 0.00 -0.57 0.00 0.00 31.44 30.80 1x5p n GLU 68 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1x5p n LEU 69 N -4.47 0.38 -4.65 -4.62 4.77 0.42 -4.15 117.00 104.68 1x5p n LEU 69 Ca -0.16 0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 1x5p n LEU 69 Cb 0.51 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1x5p n LEU 69 CO 0.18 -0.74 1.44 0.21 -1.33 0.00 0.00 177.39 177.14 1x5p s ASN 70 N -3.56 6.50 -2.12 -1.43 3.84 -1.09 -2.19 114.94 114.90 1x5p s ASN 70 Ca -0.02 2.15 0.00 0.00 0.21 0.00 0.00 52.86 55.21 1x5p s ASN 70 Cb 0.04 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 1x5p s ASN 70 CO 0.13 -1.08 0.00 0.61 -2.79 0.00 0.00 177.10 173.98 1x5p n GLY 71 N 4.40 1.71 3.88 1.21 0.00 -0.97 -4.96 105.19 110.46 1x5p n GLY 71 Ca 0.19 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.78 4.81 -0.43 2.61 -1.32 -0.93 -4.86 115.64 112.73 1x5p s THR 72 Ca 0.00 0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 61.05 1x5p s THR 72 Cb 0.00 -3.72 0.12 0.00 -1.51 0.00 0.00 72.50 67.39 1x5p s THR 72 CO 0.00 -0.45 0.21 -1.58 -2.21 0.00 0.00 174.62 170.58 1x5p s GLN 73 N -3.70 1.96 -0.02 7.08 0.74 -1.26 -0.45 119.66 124.01 1x5p s GLN 73 Ca 0.50 -1.99 0.03 0.00 0.05 0.00 0.00 55.36 53.95 1x5p s GLN 73 Cb -0.10 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 1x5p s GLN 73 CO 0.30 -1.06 -0.09 0.14 -0.55 0.00 0.00 175.29 174.03 1x5p s VAL 74 N 0.81 3.50 -1.49 1.34 -7.23 -0.61 -4.53 120.40 112.19 1x5p s VAL 74 Ca 0.11 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1x5p s VAL 74 Cb -0.22 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1x5p s VAL 74 CO -0.05 0.47 0.00 -0.62 -0.31 0.00 0.00 175.10 174.60 1x5p n GLU 75 N 1.84 -1.69 -1.95 4.82 -0.58 -1.26 0.09 120.64 121.91 1x5p n GLU 75 Ca -0.16 0.84 -0.06 0.00 -0.42 0.00 0.00 57.16 57.36 1x5p n GLU 75 Cb 0.53 -5.30 -0.01 0.00 -0.57 0.00 0.00 31.44 26.09 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 -1.35 -2.52 -3.69 1.62 7.64 -1.26 -5.03 113.62 109.04 1x5p n SER 76 Ca -0.17 0.02 -0.23 0.00 1.01 0.00 0.00 58.87 59.50 1x5p n SER 76 Cb 0.58 -1.67 -0.18 0.00 -1.01 0.00 0.00 64.21 61.94 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 -2.26 0.06 -0.56 0.44 1.01 0.11 -4.96 120.40 114.24 1x5p s VAL 77 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1x5p s VAL 77 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1x5p s VAL 77 CO 0.00 0.07 1.53 -1.10 0.00 0.00 0.00 175.10 175.60 1x5p s GLN 78 N 2.09 3.17 0.21 2.72 -0.21 -1.26 -1.58 119.66 124.81 1x5p s GLN 78 Ca 0.04 0.54 -0.08 0.00 0.02 0.00 0.00 55.36 55.89 1x5p s GLN 78 Cb -0.13 -4.18 -0.06 0.00 1.00 0.00 0.00 33.01 29.63 1x5p s GLN 78 CO -0.05 -2.09 0.50 -0.51 -2.12 0.00 0.00 175.29 171.02 1x5p s LEU 79 N 6.69 4.18 -0.25 2.90 1.43 0.40 -4.47 118.68 129.57 1x5p s LEU 79 Ca 0.57 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1x5p s LEU 79 Cb -0.12 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.62 1x5p s LEU 79 CO 0.24 -0.05 -0.01 -0.75 0.23 0.00 0.00 176.35 176.01 1x5p s LYS 80 N -2.86 1.36 -0.18 1.70 2.20 0.23 -2.30 119.74 119.89 1x5p s LYS 80 Ca 0.45 -1.01 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 1x5p s LYS 80 Cb -0.11 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 1x5p s LYS 80 CO 0.23 -0.69 0.06 0.08 -0.36 0.00 0.00 175.35 174.67 1x5p s VAL 81 N 1.44 4.72 -0.01 4.02 1.01 -1.25 0.24 120.40 130.58 1x5p s VAL 81 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1x5p s VAL 81 Cb -0.18 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1x5p s VAL 81 CO -0.09 0.46 -0.03 0.20 0.00 0.00 0.00 175.10 175.63 1x5p s ASN 82 N 0.40 0.49 -0.62 3.32 -0.87 0.14 -4.62 114.94 113.18 1x5p s ASN 82 Ca 0.03 -0.07 -0.26 0.00 -1.57 0.00 0.00 52.86 50.99 1x5p s ASN 82 Cb -0.13 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.25 40.94 1x5p s ASN 82 CO 0.00 0.01 2.10 -0.63 -2.57 0.00 0.00 177.10 176.01 1x5p s ILE 83 N 0.18 3.22 0.29 0.60 -1.09 -1.26 -0.24 121.20 122.90 1x5p s ILE 83 Ca -0.02 0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 58.21 1x5p s ILE 83 Cb -0.05 -3.57 -0.16 0.00 -1.58 0.00 0.00 42.46 37.10 1x5p s ILE 83 CO -0.00 -0.55 0.33 0.00 -1.23 0.00 0.00 174.94 173.48 1x5p n ALA 84 N 14.43 -2.91 0.40 9.38 0.00 -1.26 -4.89 120.51 135.66 1x5p n ALA 84 Ca 0.30 0.29 0.06 0.00 0.00 0.00 0.00 53.44 54.10 1x5p n ALA 84 Cb 0.52 -1.53 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 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 1.13 2.03 -1.21 0.00 0.63 -1.26 -4.46 116.66 113.52 1x5p n ARG 85 Ca 0.15 -0.04 -0.23 0.00 -0.92 0.00 0.00 57.85 56.80 1x5p n ARG 85 Cb 0.31 -1.17 0.16 0.00 0.45 0.00 0.00 32.46 32.22 1x5p n ARG 85 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1x5p n LYS 86 N -1.51 2.30 -3.73 -0.14 -0.00 -1.26 -4.77 118.16 109.04 1x5p n LYS 86 Ca 0.01 -3.11 -0.33 0.00 -0.00 0.00 0.00 58.31 54.88 1x5p n LYS 86 Cb 0.24 -2.16 -0.08 0.00 -0.00 0.00 0.00 35.03 33.03 1x5p n LYS 86 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1x5p s GLN 87 N -3.39 2.99 1.24 -1.58 -2.07 -1.26 -5.08 119.66 110.50 1x5p s GLN 87 Ca 0.57 -3.31 -0.21 0.00 -1.82 0.00 0.00 55.36 50.59 1x5p s GLN 87 Cb 0.47 -3.77 0.31 0.00 -1.09 0.00 0.00 33.01 28.93 1x5p s GLN 87 CO 0.07 -1.27 1.11 -1.25 -1.32 0.00 0.00 175.29 172.63 1x5p s PRO 88 N -1.40 -1.55 -0.79 9.60 0.04 -1.26 -4.77 135.00 134.87 1x5p s PRO 88 Ca 0.27 -0.19 -0.33 0.00 0.04 0.00 0.00 61.00 60.79 1x5p s PRO 88 Cb -0.06 -1.57 -0.19 0.00 0.04 0.00 0.00 34.50 32.72 1x5p s PRO 88 CO -0.14 -3.91 2.52 -0.12 0.04 0.00 0.00 177.00 175.39 1x5p n MET 89 N -4.88 0.23 -0.06 4.56 0.00 -1.26 -4.79 117.12 110.92 1x5p n MET 89 Ca 0.15 0.02 -0.03 0.00 -0.00 0.00 0.00 57.70 57.84 1x5p n MET 89 Cb 0.60 -1.84 -0.01 0.00 0.00 0.00 0.00 33.22 31.97 1x5p n MET 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1x5p h LEU 90 N 12.47 0.00 -8.66 -0.89 6.46 -2.03 -3.44 115.31 119.23 1x5p h LEU 90 Ca -0.10 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.12 1x5p h LEU 90 Cb 1.33 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 1x5p h LEU 90 CO 1.27 0.65 1.24 -1.81 -0.62 0.00 0.00 178.44 179.18 1x5p s ASP 91 N -5.53 5.77 0.28 1.25 1.11 -1.26 -4.93 116.67 113.35 1x5p s ASP 91 Ca -0.11 0.66 -0.07 0.00 0.18 0.00 0.00 52.55 53.21 1x5p s ASP 91 Cb 0.02 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.47 1x5p s ASP 91 CO 0.16 -1.93 0.43 -0.55 1.18 0.00 0.00 175.17 174.47 1x5p s SER 92 N 6.21 0.31 0.00 0.27 0.15 -1.26 -5.13 113.70 114.25 1x5p s SER 92 Ca 0.67 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1x5p s SER 92 Cb -0.15 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1x5p s SER 92 CO 0.27 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1x5p n GLY 93 N -0.43 -1.17 0.22 9.45 0.00 -1.26 -5.05 105.19 106.95 1x5p n GLY 93 Ca -0.00 0.70 -0.07 0.00 0.00 0.00 0.00 46.02 46.65 1x5p n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5p h PRO 94 N 0.00 0.50 -4.70 1.61 0.13 -2.04 -3.48 132.00 124.03 1x5p h PRO 94 Ca 0.00 -0.27 -0.22 0.00 -0.87 0.00 0.00 66.00 64.65 1x5p h PRO 94 Cb 0.00 0.01 0.13 0.00 0.13 0.00 0.00 31.00 31.27 1x5p h PRO 94 CO 0.00 0.85 -0.58 0.45 -0.23 0.00 0.00 178.00 178.48 1x5p n SER 95 N -4.01 -3.36 -4.01 1.44 2.88 -1.26 -5.05 113.62 100.26 1x5p n SER 95 Ca -0.02 -0.47 -0.15 0.00 -1.33 0.00 0.00 58.87 56.90 1x5p n SER 95 Cb 0.53 -3.88 -0.13 0.00 -0.75 0.00 0.00 64.21 59.98 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 -3.71 0.75 0.00 -3.46 1.04 -1.26 -5.37 113.70 101.69 1x5p s SER 96 Ca 0.13 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1x5p s SER 96 Cb -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1x5p s SER 96 CO 0.53 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.30