#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 -0.71 -0.13 1.61 0.01 -1.26 -5.15 113.70 108.06 1x5p s SER 2 Ca 0.00 1.33 -0.00 0.00 1.31 0.00 0.00 55.95 58.59 1x5p s SER 2 Cb 0.00 1.32 0.03 0.00 0.21 0.00 0.00 66.02 67.58 1x5p s SER 2 CO 0.00 -0.23 -0.10 -0.44 0.41 0.00 0.00 173.24 172.88 1x5p s SER 3 N 0.57 2.47 0.00 2.44 0.01 -1.26 -5.03 113.70 112.90 1x5p s SER 3 Ca -0.02 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1x5p s SER 3 Cb -0.05 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1x5p s SER 3 CO -0.03 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1x5p n GLY 4 N 4.87 0.49 3.93 3.44 0.00 -1.26 -5.01 105.19 111.65 1x5p n GLY 4 Ca -0.14 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.00 6.36 -0.32 1.61 1.04 -1.26 -5.09 113.70 112.05 1x5p s SER 5 Ca 0.00 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1x5p s SER 5 Cb 0.00 -1.99 0.10 0.00 0.10 0.00 0.00 66.02 64.23 1x5p s SER 5 CO 0.00 -0.07 0.07 -0.94 0.98 0.00 0.00 173.24 173.28 1x5p s SER 6 N -3.37 4.30 -0.33 7.02 1.04 -1.26 -4.93 113.70 116.17 1x5p s SER 6 Ca 0.38 -1.82 -0.20 0.00 0.48 0.00 0.00 55.95 54.79 1x5p s SER 6 Cb -0.11 -1.18 0.03 0.00 0.10 0.00 0.00 66.02 64.87 1x5p s SER 6 CO 0.30 -0.39 0.41 0.61 0.98 0.00 0.00 173.24 175.15 1x5p n GLY 7 N 4.61 -0.85 3.58 7.32 0.00 -1.26 -4.81 105.19 113.78 1x5p n GLY 7 Ca -0.00 0.84 -0.42 0.00 0.00 0.00 0.00 46.02 46.44 1x5p n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5p s GLU 8 N -2.06 3.33 -0.10 1.61 0.41 -1.26 -4.98 118.70 115.65 1x5p s GLU 8 Ca 0.22 0.66 -0.30 0.00 -0.41 0.00 0.00 54.97 55.14 1x5p s GLU 8 Cb -0.03 -4.12 -0.01 0.00 -1.78 0.00 0.00 34.13 28.18 1x5p s GLU 8 CO 0.65 -1.88 1.04 -0.98 -0.49 0.00 0.00 175.26 173.59 1x5p s ARG 9 N 5.46 4.41 1.07 1.61 1.70 -1.26 -5.02 118.95 126.91 1x5p s ARG 9 Ca 0.57 1.43 -0.18 0.00 -0.47 0.00 0.00 55.73 57.09 1x5p s ARG 9 Cb -0.12 -3.55 0.10 0.00 -0.57 0.00 0.00 34.95 30.81 1x5p s ARG 9 CO 0.27 -0.35 -0.05 2.89 -1.08 0.00 0.00 175.30 176.99 1x5p n ARG 10 N 5.08 -1.72 -3.67 3.89 0.00 -1.26 -5.04 116.66 113.93 1x5p n ARG 10 Ca 0.09 -0.50 -0.15 0.00 -0.00 0.00 0.00 57.85 57.30 1x5p n ARG 10 Cb 0.48 -1.54 -0.08 0.00 -0.00 0.00 0.00 32.46 31.33 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x5p s ALA 11 N -2.15 -1.19 0.43 2.89 0.00 -1.26 -5.16 121.76 115.32 1x5p s ALA 11 Ca 0.46 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 1x5p s ALA 11 Cb -0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 1x5p s ALA 11 CO 0.54 -0.29 1.18 -1.25 0.00 0.00 0.00 175.76 175.94 1x5p s PRO 12 N -0.98 3.92 -0.76 0.00 0.04 -1.26 -5.00 135.00 130.96 1x5p s PRO 12 Ca -0.10 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1x5p s PRO 12 Cb -0.03 -2.57 0.22 0.00 0.04 0.00 0.00 34.50 32.16 1x5p s PRO 12 CO 0.05 -0.43 0.73 -2.13 0.04 0.00 0.00 177.00 175.26 1x5p n ARG 13 N -0.16 2.48 -3.64 4.56 0.00 -1.26 -5.01 116.66 113.63 1x5p n ARG 13 Ca 0.05 -4.56 -0.07 0.00 -0.00 0.00 0.00 57.85 53.27 1x5p n ARG 13 Cb 0.47 -2.33 -0.07 0.00 0.00 0.00 0.00 32.46 30.53 1x5p n ARG 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1x5p s LYS 14 N -1.91 0.59 0.00 -0.14 -2.85 -1.26 -5.04 119.74 109.13 1x5p s LYS 14 Ca 0.31 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 56.17 1x5p s LYS 14 Cb 0.02 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1x5p s LYS 14 CO -0.08 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1x5p n GLY 15 N 3.43 2.66 0.00 0.59 0.00 -1.26 -5.03 105.19 105.58 1x5p n GLY 15 Ca -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1x5p n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5p n ASN 16 N 0.00 3.95 -4.88 1.61 4.05 -1.26 -4.26 115.26 114.47 1x5p n ASN 16 Ca 0.00 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.73 1x5p n ASN 16 Cb 0.00 0.05 -0.02 0.00 1.23 0.00 0.00 39.78 41.04 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1x5p s THR 17 N -1.96 4.81 -0.03 -0.44 2.01 -1.26 -1.86 115.64 116.91 1x5p s THR 17 Ca 0.00 0.52 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 1x5p s THR 17 Cb 0.00 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1x5p s THR 17 CO 0.00 -0.62 0.05 -0.76 -0.69 0.00 0.00 174.62 172.61 1x5p s LEU 18 N -4.10 0.57 -0.61 4.42 1.43 -0.32 -3.65 118.68 116.41 1x5p s LEU 18 Ca 0.50 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.42 1x5p s LEU 18 Cb -0.10 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.08 1x5p s LEU 18 CO 0.35 -0.19 1.13 -0.47 0.23 0.00 0.00 176.35 177.41 1x5p s TYR 19 N 1.65 2.59 0.10 0.29 6.14 0.17 -1.98 117.35 126.31 1x5p s TYR 19 Ca -0.02 0.16 -0.04 0.00 0.64 0.00 0.00 57.07 57.81 1x5p s TYR 19 Cb -0.12 -4.42 -0.05 0.00 0.42 0.00 0.00 41.96 37.79 1x5p s TYR 19 CO -0.03 -1.63 0.32 0.08 0.64 0.00 0.00 175.55 174.92 1x5p s VAL 20 N 4.81 5.25 -0.03 3.14 1.01 0.72 -0.64 120.40 134.65 1x5p s VAL 20 Ca 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1x5p s VAL 20 Cb -0.09 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1x5p s VAL 20 CO 0.21 0.10 0.05 -0.47 0.00 0.00 0.00 175.10 174.99 1x5p s TYR 21 N -1.58 -0.02 0.26 5.22 6.14 0.14 -0.23 117.35 127.28 1x5p s TYR 21 Ca 0.38 0.19 -0.01 0.00 0.64 0.00 0.00 57.07 58.27 1x5p s TYR 21 Cb -0.13 -0.17 0.00 0.00 0.42 0.00 0.00 41.96 42.09 1x5p s TYR 21 CO 0.25 -0.09 0.35 0.41 0.64 0.00 0.00 175.55 177.10 1x5p n GLY 22 N 4.01 2.45 1.26 8.97 0.00 -0.45 -1.16 105.19 120.28 1x5p n GLY 22 Ca -0.25 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.43 0.00 -2.15 1.61 1.02 -1.26 -4.60 120.64 114.83 1x5p n GLU 23 Ca 0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 1x5p n GLU 23 Cb 0.44 -0.35 0.02 0.00 -0.02 0.00 0.00 31.44 31.52 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x5p n ASP 24 N -2.76 5.05 -4.54 1.62 9.92 -1.26 -5.04 116.55 119.55 1x5p n ASP 24 Ca 0.00 -3.74 -0.27 0.00 -0.53 0.00 0.00 54.79 50.25 1x5p n ASP 24 Cb 0.31 -0.43 -0.10 0.00 -0.64 0.00 0.00 41.12 40.26 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 -3.60 1.95 0.18 -1.24 0.23 -1.26 -4.93 119.30 110.62 1x5p s MET 25 Ca 0.51 -1.31 0.08 0.00 -1.03 0.00 0.00 55.69 53.94 1x5p s MET 25 Cb 0.41 -2.10 -0.04 0.00 -1.53 0.00 0.00 34.83 31.57 1x5p s MET 25 CO -0.06 0.43 -0.17 0.95 -2.03 0.00 0.00 175.02 174.15 1x5p s THR 26 N -1.67 1.76 0.12 3.16 -4.23 -1.26 -5.05 115.64 108.47 1x5p s THR 26 Ca 0.24 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.41 1x5p s THR 26 Cb -0.09 -1.89 -0.12 0.00 1.34 0.00 0.00 72.50 71.74 1x5p s THR 26 CO 0.14 -0.42 1.55 -0.65 -0.54 0.00 0.00 174.62 174.70 1x5p h PRO 27 N 3.03 -0.52 -1.12 3.99 0.11 -1.99 0.76 132.00 136.25 1x5p h PRO 27 Ca -0.41 0.04 0.32 0.00 0.11 0.00 0.00 66.00 66.06 1x5p h PRO 27 Cb 1.21 0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.39 1x5p h PRO 27 CO 0.55 -0.35 0.80 1.15 -0.21 0.00 0.00 178.00 179.94 1x5p h THR 28 N -0.54 0.44 0.16 -1.15 2.02 -2.00 -0.01 112.91 111.84 1x5p h THR 28 Ca 0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1x5p h THR 28 Cb 0.66 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1x5p h THR 28 CO -0.47 0.01 -0.08 0.25 0.37 0.00 0.00 175.52 175.60 1x5p h LEU 29 N 0.04 -0.18 -2.21 2.58 6.46 -1.29 -3.08 115.31 117.63 1x5p h LEU 29 Ca 0.54 -0.33 0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1x5p h LEU 29 Cb 2.10 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 42.07 1x5p h LEU 29 CO -0.04 0.28 0.09 -0.07 -0.62 0.00 0.00 178.44 178.09 1x5p h LEU 30 N -0.69 0.00 -0.43 2.25 3.38 -0.33 -1.19 115.31 118.29 1x5p h LEU 30 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1x5p h LEU 30 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1x5p h LEU 30 CO 0.04 0.00 0.20 0.03 0.09 0.00 0.00 178.44 178.80 1x5p h ARG 31 N 0.00 0.62 -0.00 1.13 3.08 -1.19 0.34 114.38 118.36 1x5p h ARG 31 Ca 0.05 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1x5p h ARG 31 Cb 0.23 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1x5p h ARG 31 CO -0.00 0.54 -0.26 0.41 -1.07 0.00 0.00 179.97 179.59 1x5p n GLY 32 N -0.88 -1.02 0.11 0.04 0.00 -0.70 -2.12 105.19 100.64 1x5p n GLY 32 Ca 0.01 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.11 1.35 0.08 4.61 0.00 -0.54 -4.35 120.51 120.55 1x5p n ALA 33 Ca 0.10 -1.01 0.11 0.00 0.00 0.00 0.00 53.44 52.64 1x5p n ALA 33 Cb 0.32 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.12 0.76 -0.12 0.00 3.01 0.12 -4.20 117.46 113.91 1x5p n PHE 34 Ca -0.34 0.22 -0.08 0.00 1.01 0.00 0.00 57.45 58.26 1x5p n PHE 34 Cb 1.06 -0.87 -0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 0.45 -0.63 4.37 0.87 -1.58 -2.21 113.55 114.82 1x5p h SER 35 Ca -0.01 -0.02 0.18 0.00 -1.23 0.00 0.00 61.79 60.72 1x5p h SER 35 Cb 1.03 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 1x5p h SER 35 CO 0.00 0.33 0.74 -0.65 -0.53 0.00 0.00 176.83 176.73 1x5p h PRO 36 N 0.53 0.00 0.00 2.24 0.11 -1.76 0.79 132.00 133.91 1x5p h PRO 36 Ca 0.14 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.03 1x5p h PRO 36 Cb -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 1x5p h PRO 36 CO -0.03 0.00 -1.36 0.74 -0.21 0.00 0.00 178.00 177.14 1x5p h PHE 37 N 0.00 0.00 0.00 0.65 -1.00 -1.65 -3.50 116.94 111.44 1x5p h PHE 37 Ca 0.30 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.08 1x5p h PHE 37 Cb 1.78 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.34 1x5p h PHE 37 CO 0.00 0.84 0.00 0.41 -1.61 0.00 0.00 178.31 177.95 1x5p n GLY 38 N 1.44 -0.90 3.22 -1.45 0.00 0.27 -4.83 105.19 102.93 1x5p n GLY 38 Ca -0.10 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.22 -0.51 1.61 2.47 -1.26 -4.43 114.94 112.04 1x5p s ASN 39 Ca 0.00 -0.55 -0.22 0.00 0.42 0.00 0.00 52.86 52.51 1x5p s ASN 39 Cb 0.00 -1.45 0.04 0.00 -1.45 0.00 0.00 41.25 38.39 1x5p s ASN 39 CO 0.00 0.13 0.77 -0.63 -3.72 0.00 0.00 177.10 173.65 1x5p s ILE 40 N 0.55 4.65 -0.14 -5.21 1.01 -1.26 -2.16 121.20 118.63 1x5p s ILE 40 Ca -0.13 0.02 0.21 0.00 0.00 0.00 0.00 60.65 60.75 1x5p s ILE 40 Cb -0.17 -4.38 -0.16 0.00 0.01 0.00 0.00 42.46 37.76 1x5p s ILE 40 CO 0.04 -0.88 0.73 2.30 0.00 0.00 0.00 174.94 177.13 1x5p n ILE 41 N 5.95 0.65 -3.51 2.92 -5.35 -1.02 -4.84 119.36 114.15 1x5p n ILE 41 Ca -0.01 -0.60 -0.17 0.00 -0.27 0.00 0.00 62.75 61.70 1x5p n ILE 41 Cb 0.47 -0.35 -0.13 0.00 -1.74 0.00 0.00 39.64 37.89 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 -5.22 1.18 -0.20 7.28 -1.08 -1.25 -5.01 116.67 112.37 1x5p s ASP 42 Ca -0.04 -0.09 -0.03 0.00 -0.52 0.00 0.00 52.55 51.87 1x5p s ASP 42 Cb 0.10 0.44 0.06 0.00 -1.46 0.00 0.00 42.92 42.07 1x5p s ASP 42 CO 0.83 -0.31 0.05 -0.22 0.52 0.00 0.00 175.17 176.04 1x5p s LEU 43 N 2.34 1.11 -0.08 -1.34 2.96 -1.25 0.23 118.68 122.65 1x5p s LEU 43 Ca 0.06 -0.85 0.04 0.00 -0.22 0.00 0.00 54.13 53.16 1x5p s LEU 43 Cb -0.15 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 1x5p s LEU 43 CO -0.11 -0.32 -0.19 -0.44 -1.32 0.00 0.00 176.35 173.96 1x5p s SER 44 N 1.89 3.54 -0.12 3.68 0.01 -1.03 -4.96 113.70 116.71 1x5p s SER 44 Ca 0.00 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1x5p s SER 44 Cb -0.17 -1.12 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 1x5p s SER 44 CO -0.10 0.23 -0.17 -0.04 0.41 0.00 0.00 173.24 173.57 1x5p s MET 45 N -0.08 3.24 -0.41 12.44 -1.94 -1.26 -0.85 119.30 130.43 1x5p s MET 45 Ca -0.04 -0.77 0.04 0.00 -1.71 0.00 0.00 55.69 53.21 1x5p s MET 45 Cb -0.14 -2.51 0.11 0.00 2.01 0.00 0.00 34.83 34.30 1x5p s MET 45 CO 0.04 0.17 0.14 -0.51 -0.01 0.00 0.00 175.02 174.85 1x5p s ASP 46 N 0.42 4.53 0.28 3.03 1.11 -0.15 -4.98 116.67 120.92 1x5p s ASP 46 Ca -0.13 -2.51 0.02 0.00 0.18 0.00 0.00 52.55 50.12 1x5p s ASP 46 Cb -0.17 -1.59 0.69 0.00 1.07 0.00 0.00 42.92 42.92 1x5p s ASP 46 CO 0.06 -0.32 1.69 -0.65 1.18 0.00 0.00 175.17 177.13 1x5p h PRO 47 N 7.14 0.36 -0.54 8.23 0.11 -1.95 -0.19 132.00 145.17 1x5p h PRO 47 Ca -0.06 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.14 1x5p h PRO 47 Cb 0.96 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.89 1x5p h PRO 47 CO 0.59 0.24 -0.21 -1.35 -0.21 0.00 0.00 178.00 177.05 1x5p h PRO 48 N 0.37 -0.08 -0.63 1.05 0.11 -1.94 0.11 132.00 130.99 1x5p h PRO 48 Ca 0.54 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1x5p h PRO 48 Cb 1.01 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1x5p h PRO 48 CO -0.54 -0.05 0.00 0.54 -0.21 0.00 0.00 178.00 177.74 1x5p n ARG 49 N -5.41 2.92 -3.76 1.05 5.12 -0.70 -4.92 116.66 110.96 1x5p n ARG 49 Ca 0.05 -2.32 -0.28 0.00 -1.93 0.00 0.00 57.85 53.37 1x5p n ARG 49 Cb 0.32 -1.66 -0.05 0.00 -1.16 0.00 0.00 32.46 29.91 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 1.08 -1.49 -4.28 0.55 3.02 0.36 -4.87 115.26 109.65 1x5p n ASN 50 Ca 0.21 -0.66 -0.19 0.00 -0.03 0.00 0.00 54.58 53.91 1x5p n ASN 50 Cb 0.66 -1.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 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 -3.56 -0.31 -0.30 0.00 0.00 0.68 -0.97 121.76 117.29 1x5p s ALA 52 Ca 0.36 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1x5p s ALA 52 Cb 0.07 0.87 0.09 0.00 0.00 0.00 0.00 23.12 24.15 1x5p s ALA 52 CO 0.15 -0.71 0.06 -0.06 0.00 0.00 0.00 175.76 175.20 1x5p s PHE 53 N -3.94 2.33 -0.24 0.00 0.08 -0.03 -0.20 117.98 115.97 1x5p s PHE 53 Ca 0.15 -2.03 -0.12 0.00 0.12 0.00 0.00 56.93 55.05 1x5p s PHE 53 Cb 0.02 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1x5p s PHE 53 CO -0.00 -0.87 0.24 0.08 -0.10 0.00 0.00 175.22 174.57 1x5p s VAL 54 N 1.41 5.30 -0.11 -0.44 1.01 -0.84 -2.45 120.40 124.27 1x5p s VAL 54 Ca 0.07 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1x5p s VAL 54 Cb -0.18 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1x5p s VAL 54 CO -0.17 0.29 -0.01 -0.89 0.00 0.00 0.00 175.10 174.31 1x5p s THR 55 N 1.37 4.17 -0.06 3.92 2.01 0.14 -1.18 115.64 126.00 1x5p s THR 55 Ca 0.11 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 1x5p s THR 55 Cb -0.14 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1x5p s THR 55 CO 0.07 0.56 0.08 -0.31 -0.69 0.00 0.00 174.62 174.33 1x5p s TYR 56 N -0.38 3.34 0.40 4.92 2.02 -0.78 -2.45 117.35 124.43 1x5p s TYR 56 Ca 0.07 0.29 0.14 0.00 -0.37 0.00 0.00 57.07 57.21 1x5p s TYR 56 Cb -0.12 -1.81 0.99 0.00 -0.40 0.00 0.00 41.96 40.62 1x5p s TYR 56 CO 0.02 0.58 1.87 1.49 -1.57 0.00 0.00 175.55 177.94 1x5p h GLU 57 N 4.62 0.48 -6.00 -0.62 4.57 -1.78 -3.42 114.58 112.44 1x5p h GLU 57 Ca -0.51 -0.03 -0.56 0.00 -1.18 0.00 0.00 59.36 57.08 1x5p h GLU 57 Cb 1.20 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.59 1x5p h GLU 57 CO 0.59 0.32 -0.53 0.15 -1.18 0.00 0.00 179.01 178.36 1x5p s LYS 58 N -5.51 2.26 0.02 1.92 3.01 -1.26 -5.05 119.74 115.12 1x5p s LYS 58 Ca -0.09 -1.72 -0.03 0.00 -1.01 0.00 0.00 55.97 53.13 1x5p s LYS 58 Cb 0.22 -2.05 -0.28 0.00 -1.01 0.00 0.00 37.83 34.72 1x5p s LYS 58 CO 0.78 0.00 0.92 0.00 0.51 0.00 0.00 175.35 177.56 1x5p h MET 59 N 1.53 0.24 -0.59 1.68 -0.00 -1.82 -3.36 114.93 112.61 1x5p h MET 59 Ca -0.43 -0.42 0.12 0.00 -0.00 0.00 0.00 59.70 58.97 1x5p h MET 59 Cb 1.25 0.15 -0.11 0.00 -0.00 0.00 0.00 31.60 32.89 1x5p h MET 59 CO 0.67 1.12 -0.19 1.05 -0.00 0.00 0.00 176.91 179.55 1x5p h GLU 60 N 0.07 -0.04 -0.44 -0.10 4.11 -1.97 -0.66 114.58 115.55 1x5p h GLU 60 Ca -0.22 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.30 1x5p h GLU 60 Cb 2.00 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 31.18 1x5p h GLU 60 CO 0.17 -0.03 -0.10 0.77 0.07 0.00 0.00 179.01 179.89 1x5p h SER 61 N -0.05 -0.39 -0.90 3.06 0.02 -1.88 -1.59 113.55 111.83 1x5p h SER 61 Ca 0.28 0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.45 1x5p h SER 61 Cb 0.47 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.16 1x5p h SER 61 CO -0.63 -0.14 -0.50 0.00 -1.14 0.00 0.00 176.83 174.42 1x5p n ALA 62 N -2.75 -0.49 -0.15 3.77 0.00 -0.26 0.65 120.51 121.28 1x5p n ALA 62 Ca 0.03 0.79 -0.05 0.00 0.00 0.00 0.00 53.44 54.21 1x5p n ALA 62 Cb 0.24 -0.17 0.13 0.00 0.00 0.00 0.00 19.45 19.64 1x5p n ALA 62 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1x5p h ASP 63 N 0.00 0.86 0.25 0.00 3.58 -1.42 -2.54 116.42 117.14 1x5p h ASP 63 Ca 0.17 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1x5p h ASP 63 Cb 0.40 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 1x5p h ASP 63 CO -0.85 0.89 -0.16 1.56 -2.88 0.00 0.00 179.24 177.81 1x5p h GLN 64 N 0.84 -0.36 -0.41 0.28 4.20 0.12 -1.81 115.11 117.97 1x5p h GLN 64 Ca 0.17 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.98 1x5p h GLN 64 Cb 0.43 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 1x5p h GLN 64 CO 0.02 -0.24 -0.39 0.00 -0.67 0.00 0.00 178.83 177.54 1x5p h ALA 65 N -1.66 -0.34 0.00 3.87 0.00 -0.52 0.74 119.26 121.35 1x5p h ALA 65 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x5p h ALA 65 Cb 0.30 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1x5p h ALA 65 CO 0.03 -0.82 0.28 0.28 0.00 0.00 0.00 179.25 179.03 1x5p h VAL 66 N -0.30 0.00 0.11 0.00 2.07 -1.44 1.57 116.25 118.26 1x5p h VAL 66 Ca 0.15 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.31 1x5p h VAL 66 Cb 0.57 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1x5p h VAL 66 CO -0.57 0.00 -2.03 0.00 0.02 0.00 0.00 177.57 174.99 1x5p n ALA 67 N -1.74 0.96 -0.09 1.67 0.00 0.24 -3.91 120.51 117.63 1x5p n ALA 67 Ca -0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 1x5p n ALA 67 Cb 0.32 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.44 0.52 0.11 0.00 -0.58 0.23 -4.33 120.64 113.15 1x5p n GLU 68 Ca -0.33 0.29 0.06 0.00 -0.42 0.00 0.00 57.16 56.76 1x5p n GLU 68 Cb 1.04 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 30.74 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 -4.46 0.31 -4.64 -4.62 4.77 0.51 -3.99 117.00 104.89 1x5p n LEU 69 Ca -0.19 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 55.95 1x5p n LEU 69 Cb 0.53 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1x5p n LEU 69 CO 0.17 -0.69 1.31 0.21 -1.33 0.00 0.00 177.39 177.05 1x5p s ASN 70 N -3.45 6.50 -0.60 -1.43 3.84 -1.08 -2.59 114.94 116.13 1x5p s ASN 70 Ca -0.01 1.62 0.00 0.00 0.21 0.00 0.00 52.86 54.68 1x5p s ASN 70 Cb 0.03 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1x5p s ASN 70 CO 0.11 -1.16 0.00 0.61 -2.79 0.00 0.00 177.10 173.87 1x5p n GLY 71 N 4.46 0.67 3.83 1.21 0.00 -1.06 -4.95 105.19 109.36 1x5p n GLY 71 Ca 0.18 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.78 4.30 -0.49 2.61 -1.32 -1.07 -4.84 115.64 113.06 1x5p s THR 72 Ca 0.00 1.18 -0.01 0.00 -1.21 0.00 0.00 61.69 61.66 1x5p s THR 72 Cb 0.00 -3.61 0.13 0.00 -1.51 0.00 0.00 72.50 67.51 1x5p s THR 72 CO 0.00 -0.55 0.28 -1.58 -2.21 0.00 0.00 174.62 170.56 1x5p s GLN 73 N -3.85 2.13 -0.04 7.08 0.74 -1.26 -0.53 119.66 123.94 1x5p s GLN 73 Ca 0.61 -2.21 0.02 0.00 0.05 0.00 0.00 55.36 53.83 1x5p s GLN 73 Cb -0.11 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 1x5p s GLN 73 CO 0.28 -1.10 -0.07 0.14 -0.55 0.00 0.00 175.29 173.99 1x5p s VAL 74 N 0.46 3.63 -1.40 1.34 -7.23 -0.83 -4.55 120.40 111.81 1x5p s VAL 74 Ca 0.13 -0.61 -0.07 0.00 -1.81 0.00 0.00 61.98 59.62 1x5p s VAL 74 Cb -0.22 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.24 1x5p s VAL 74 CO -0.04 0.52 0.51 -0.62 -0.31 0.00 0.00 175.10 175.16 1x5p n GLU 75 N 1.98 -4.01 -2.26 4.82 -0.58 -1.26 -0.24 120.64 119.09 1x5p n GLU 75 Ca -0.17 0.69 -0.18 0.00 -0.42 0.00 0.00 57.16 57.08 1x5p n GLU 75 Cb 0.53 -5.47 -0.02 0.00 -0.57 0.00 0.00 31.44 25.92 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 -2.37 -5.34 -3.70 1.62 7.64 -1.26 -4.98 113.62 105.23 1x5p n SER 76 Ca -0.07 0.04 -0.23 0.00 1.01 0.00 0.00 58.87 59.62 1x5p n SER 76 Cb 0.58 -4.41 -0.18 0.00 -1.01 0.00 0.00 64.21 59.20 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 -2.90 0.11 -0.41 0.44 1.01 0.66 -5.04 120.40 114.28 1x5p s VAL 77 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1x5p s VAL 77 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1x5p s VAL 77 CO 0.00 0.10 1.79 -1.10 0.00 0.00 0.00 175.10 175.89 1x5p s GLN 78 N 2.07 3.16 -0.14 2.72 -0.21 -1.26 -1.96 119.66 124.05 1x5p s GLN 78 Ca 0.04 1.19 -0.16 0.00 0.02 0.00 0.00 55.36 56.45 1x5p s GLN 78 Cb -0.13 -4.23 -0.04 0.00 1.00 0.00 0.00 33.01 29.60 1x5p s GLN 78 CO -0.05 -2.07 0.38 -0.51 -2.12 0.00 0.00 175.29 170.92 1x5p s LEU 79 N 7.38 4.26 -0.35 2.90 1.43 0.31 -4.68 118.68 129.94 1x5p s LEU 79 Ca 0.75 0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 54.45 1x5p s LEU 79 Cb -0.19 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.56 1x5p s LEU 79 CO 0.30 0.05 0.11 -0.54 0.23 0.00 0.00 176.35 176.51 1x5p s LYS 80 N 0.53 2.52 -0.11 1.70 3.01 -0.31 -2.55 119.74 124.52 1x5p s LYS 80 Ca 0.21 -1.30 -0.02 0.00 -1.01 0.00 0.00 55.97 53.86 1x5p s LYS 80 Cb -0.14 -3.46 -0.03 0.00 -1.01 0.00 0.00 37.83 33.19 1x5p s LYS 80 CO 0.07 -0.73 -0.04 0.08 0.51 0.00 0.00 175.35 175.23 1x5p s VAL 81 N 1.35 3.90 0.05 3.17 1.01 -1.25 0.23 120.40 128.87 1x5p s VAL 81 Ca -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1x5p s VAL 81 Cb -0.20 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1x5p s VAL 81 CO 0.01 0.55 -0.05 0.20 0.00 0.00 0.00 175.10 175.82 1x5p s ASN 82 N -0.28 0.64 -0.72 3.32 -0.87 0.19 -4.55 114.94 112.67 1x5p s ASN 82 Ca 0.05 -0.78 -0.26 0.00 -1.57 0.00 0.00 52.86 50.30 1x5p s ASN 82 Cb -0.13 0.12 -0.03 0.00 -0.02 0.00 0.00 41.25 41.19 1x5p s ASN 82 CO 0.02 -0.41 1.89 -0.63 -2.57 0.00 0.00 177.10 175.41 1x5p s ILE 83 N -2.68 3.39 -0.49 0.60 -1.09 -1.26 0.42 121.20 120.08 1x5p s ILE 83 Ca -0.02 -0.02 -0.47 0.00 -2.23 0.00 0.00 60.65 57.92 1x5p s ILE 83 Cb -0.01 -3.97 -0.20 0.00 -1.58 0.00 0.00 42.46 36.70 1x5p s ILE 83 CO -0.04 -0.93 1.60 0.00 -1.23 0.00 0.00 174.94 174.34 1x5p n ALA 84 N 13.21 -1.35 -0.35 9.38 0.00 -1.24 -4.78 120.51 135.38 1x5p n ALA 84 Ca 0.28 0.50 -0.13 0.00 0.00 0.00 0.00 53.44 54.09 1x5p n ALA 84 Cb 0.50 -1.92 0.07 0.00 0.00 0.00 0.00 19.45 18.09 1x5p n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5p n ARG 85 N 4.01 1.65 -1.52 0.00 1.74 -1.26 -4.12 116.66 117.16 1x5p n ARG 85 Ca 0.31 -1.44 -0.12 0.00 -0.77 0.00 0.00 57.85 55.82 1x5p n ARG 85 Cb -0.06 -1.57 0.09 0.00 -1.02 0.00 0.00 32.46 29.91 1x5p n ARG 85 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1x5p n LYS 86 N -0.03 2.77 -3.79 5.56 4.81 -1.26 -4.90 118.16 121.32 1x5p n LYS 86 Ca 0.28 -3.81 -0.28 0.00 -0.87 0.00 0.00 58.31 53.63 1x5p n LYS 86 Cb 0.87 -1.99 -0.12 0.00 0.02 0.00 0.00 35.03 33.82 1x5p n LYS 86 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1x5p s GLN 87 N -3.42 1.91 0.65 1.64 -2.07 -1.26 -5.11 119.66 112.00 1x5p s GLN 87 Ca 0.45 -2.77 -0.11 0.00 -1.82 0.00 0.00 55.36 51.12 1x5p s GLN 87 Cb 0.39 -2.87 0.16 0.00 -1.09 0.00 0.00 33.01 29.60 1x5p s GLN 87 CO -0.01 -1.25 0.57 -0.35 -1.32 0.00 0.00 175.29 172.94 1x5p n PRO 88 N 2.61 -2.14 -2.37 9.60 -0.04 -1.26 -4.93 135.00 136.46 1x5p n PRO 88 Ca 0.17 -0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 62.28 1x5p n PRO 88 Cb 0.36 -0.86 -0.02 0.00 -0.04 0.00 0.00 33.50 32.94 1x5p n PRO 88 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1x5p s MET 89 N -4.30 3.81 -0.82 0.54 -2.45 -1.26 -4.95 119.30 109.86 1x5p s MET 89 Ca 0.37 1.20 0.01 0.00 -1.25 0.00 0.00 55.69 56.03 1x5p s MET 89 Cb -0.04 -3.94 0.22 0.00 1.25 0.00 0.00 34.83 32.33 1x5p s MET 89 CO 0.29 -1.27 0.77 1.28 1.05 0.00 0.00 175.02 177.14 1x5p n LEU 90 N 8.05 4.04 -4.69 4.11 4.77 -1.26 -5.06 117.00 126.96 1x5p n LEU 90 Ca 0.16 -5.22 -0.42 0.00 -0.03 0.00 0.00 56.01 50.50 1x5p n LEU 90 Cb 0.47 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1x5p n LEU 90 CO 0.65 1.71 1.06 1.51 -1.33 0.00 0.00 177.39 181.00 1x5p s ASP 91 N -1.03 6.92 0.86 -1.43 -4.77 -1.26 -5.02 116.67 110.94 1x5p s ASP 91 Ca 0.30 2.01 -0.12 0.00 -3.30 0.00 0.00 52.55 51.43 1x5p s ASP 91 Cb -0.01 -2.56 0.11 0.00 -1.09 0.00 0.00 42.92 39.37 1x5p s ASP 91 CO -0.10 -0.67 1.18 -0.55 0.70 0.00 0.00 175.17 175.72 1x5p s SER 92 N 1.75 4.05 0.68 2.11 0.15 -1.26 -5.08 113.70 116.10 1x5p s SER 92 Ca 0.61 0.79 0.03 0.00 0.70 0.00 0.00 55.95 58.08 1x5p s SER 92 Cb -0.29 -1.27 0.12 0.00 -1.71 0.00 0.00 66.02 62.87 1x5p s SER 92 CO 0.25 -2.19 0.94 -0.83 1.20 0.00 0.00 173.24 172.60 1x5p s GLY 93 N -4.43 1.74 -0.01 9.45 0.00 -1.26 -5.04 107.32 107.77 1x5p s GLY 93 Ca 0.64 -1.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.19 1x5p s GLY 93 CO 0.51 -1.37 1.28 -0.56 0.00 0.00 0.00 173.10 172.96 1x5p h PRO 94 N -0.31 0.05 -6.45 2.90 0.13 -2.07 -3.45 132.00 122.79 1x5p h PRO 94 Ca -0.33 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 64.47 1x5p h PRO 94 Cb 1.27 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.57 1x5p h PRO 94 CO 0.39 0.53 -0.28 -1.13 -0.23 0.00 0.00 178.00 177.28 1x5p n SER 95 N -4.81 -3.29 -3.89 1.44 3.41 -1.26 -5.06 113.62 100.16 1x5p n SER 95 Ca -0.08 -0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 57.93 1x5p n SER 95 Cb 0.27 -0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 63.29 1x5p n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5p s SER 96 N -2.37 -0.19 0.00 4.04 0.01 -1.26 -5.17 113.70 108.77 1x5p s SER 96 Ca 0.50 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1x5p s SER 96 Cb -0.10 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1x5p s SER 96 CO 0.46 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.43