#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pzh n HIS 0 N 0.00 -2.94 -4.74 -1.42 -0.00 -1.26 -4.92 115.22 99.94 2pzh n HIS 0 Ca 0.00 1.48 -0.28 0.00 -0.00 0.00 0.00 57.72 58.91 2pzh n HIS 0 Cb 0.00 -2.67 -0.14 0.00 -0.00 0.00 0.00 29.99 27.18 2pzh n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2pzh s MET 1 N -2.16 1.60 -0.06 -0.41 0.00 -1.13 -5.00 119.30 112.14 2pzh s MET 1 Ca 0.00 -1.10 0.05 0.00 0.00 0.00 0.00 55.69 54.64 2pzh s MET 1 Cb 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 34.83 33.00 2pzh s MET 1 CO 0.00 0.46 -0.22 1.03 0.00 0.00 0.00 175.02 176.29 2pzh s ARG 2 N -1.37 2.64 -0.06 4.11 0.52 -1.26 -0.21 118.95 123.32 2pzh s ARG 2 Ca 0.11 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2pzh s ARG 2 Cb -0.10 -2.25 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 2pzh s ARG 2 CO 0.03 0.40 -0.19 0.00 0.02 0.00 0.00 175.30 175.55 2pzh s ARG 4 N 0.14 4.25 -0.34 0.00 6.06 -1.26 -0.06 118.95 127.74 2pzh s ARG 4 Ca -0.08 0.83 -0.22 0.00 -2.50 0.00 0.00 55.73 53.75 2pzh s ARG 4 Cb -0.14 -3.04 0.00 0.00 0.06 0.00 0.00 34.95 31.84 2pzh s ARG 4 CO 0.04 0.50 0.73 0.08 -2.50 0.00 0.00 175.30 174.15 2pzh s VAL 5 N -1.35 4.81 0.42 7.11 1.01 -0.15 -4.96 120.40 127.29 2pzh s VAL 5 Ca 0.37 0.88 0.08 0.00 0.00 0.00 0.00 61.98 63.31 2pzh s VAL 5 Cb -0.18 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2pzh s VAL 5 CO 0.21 -0.32 0.39 -0.31 0.00 0.00 0.00 175.10 175.07 2pzh s TYR 6 N 2.91 2.67 0.33 5.22 2.02 -1.26 -0.87 117.35 128.38 2pzh s TYR 6 Ca 0.29 -0.50 0.09 0.00 -0.37 0.00 0.00 57.07 56.58 2pzh s TYR 6 Cb -0.14 -2.18 0.81 0.00 -0.40 0.00 0.00 41.96 40.06 2pzh s TYR 6 CO 0.15 -0.16 1.80 1.88 -1.57 0.00 0.00 175.55 177.65 2pzh h TYR 7 N 0.99 0.95 -0.01 2.71 -1.99 -1.96 -0.04 116.97 117.62 2pzh h TYR 7 Ca -0.41 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.35 2pzh h TYR 7 Cb 1.27 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 39.71 2pzh h TYR 7 CO 0.52 0.23 0.01 1.05 -0.00 0.00 0.00 178.16 179.97 2pzh h GLU 8 N 0.69 0.00 0.00 4.88 4.11 -2.01 -2.00 114.58 120.26 2pzh h GLU 8 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 2pzh h GLU 8 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2pzh h GLU 8 CO -0.32 0.00 -0.72 -0.44 0.07 0.00 0.00 179.01 177.59 2pzh h ASP 9 N 0.00 0.00 -2.82 3.06 3.32 -1.38 -3.48 116.42 115.12 2pzh h ASP 9 Ca 0.00 -0.17 -0.46 0.00 0.02 0.00 0.00 57.03 56.42 2pzh h ASP 9 Cb 0.02 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.60 2pzh h ASP 9 CO -0.00 0.09 -0.10 0.42 -1.72 0.00 0.00 179.24 177.93 2pzh s THR 10 N -3.21 4.26 0.33 0.35 -4.23 -0.75 -1.22 115.64 111.16 2pzh s THR 10 Ca 0.05 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2pzh s THR 10 Cb 0.12 -3.57 -0.00 0.00 1.34 0.00 0.00 72.50 70.39 2pzh s THR 10 CO 0.74 -0.41 0.02 -0.90 -0.54 0.00 0.00 174.62 173.53 2pzh n ASP 11 N -2.04 2.62 0.31 3.99 5.68 0.17 -4.62 116.55 122.66 2pzh n ASP 11 Ca 0.00 -2.51 0.19 0.00 -0.50 0.00 0.00 54.79 51.98 2pzh n ASP 11 Cb 0.57 0.33 0.98 0.00 -1.14 0.00 0.00 41.12 41.86 2pzh n ASP 11 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2pzh h SER 12 N 0.88 0.00 0.80 -1.12 4.64 -2.00 0.98 113.55 117.72 2pzh h SER 12 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2pzh h SER 12 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2pzh h SER 12 CO 0.45 0.02 0.00 1.21 -0.87 0.00 0.00 176.83 177.64 2pzh n GLU 13 N -3.23 0.04 -0.56 4.77 2.13 -1.26 -4.90 120.64 117.62 2pzh n GLU 13 Ca -0.02 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2pzh n GLU 13 Cb 0.16 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.32 2pzh n GLU 13 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pzh n GLY 14 N 0.72 0.72 3.59 8.31 0.00 0.34 -5.07 105.19 113.80 2pzh n GLY 14 Ca 0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2pzh n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pzh s VAL 15 N -2.00 1.59 0.17 1.61 -7.23 -1.26 -4.39 120.40 108.90 2pzh s VAL 15 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 2pzh s VAL 15 Cb 0.00 -2.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.05 2pzh s VAL 15 CO 0.00 0.00 1.53 -0.69 -0.31 0.00 0.00 175.10 175.63 2pzh s VAL 16 N -2.91 2.70 0.25 1.32 1.01 -0.42 -0.66 120.40 121.69 2pzh s VAL 16 Ca 0.31 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 2pzh s VAL 16 Cb 0.08 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 2pzh s VAL 16 CO 0.15 0.05 1.58 -0.47 0.00 0.00 0.00 175.10 176.40 2pzh s TYR 17 N 0.98 2.87 0.24 5.22 5.04 -0.36 -4.81 117.35 126.53 2pzh s TYR 17 Ca 0.68 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 56.01 2pzh s TYR 17 Cb -0.43 -4.01 0.41 0.00 0.35 0.00 0.00 41.96 38.29 2pzh s TYR 17 CO 0.33 -3.48 1.78 1.12 -1.34 0.00 0.00 175.55 173.95 2pzh h HIS 18 N 5.44 0.72 0.00 4.97 2.07 -1.92 -0.62 115.15 125.81 2pzh h HIS 18 Ca -0.46 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.09 2pzh h HIS 18 Cb 1.21 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 30.99 2pzh h HIS 18 CO 0.61 0.24 -0.04 0.00 -3.07 0.00 0.00 177.93 175.66 2pzh h ALA 19 N 1.48 1.20 0.00 6.11 0.00 -1.99 -2.85 119.26 123.20 2pzh h ALA 19 Ca 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2pzh h ALA 19 Cb 0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2pzh h ALA 19 CO -0.30 0.05 -0.09 -0.91 0.00 0.00 0.00 179.25 178.00 2pzh h ASN 20 N 0.00 0.00 -0.26 0.00 -0.26 -1.47 -2.06 115.58 111.52 2pzh h ASN 20 Ca -0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 2pzh h ASN 20 Cb 0.19 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 2pzh h ASN 20 CO 0.01 0.09 -0.01 1.88 -1.06 0.00 0.00 177.43 178.34 2pzh h TYR 21 N 0.00 0.62 -0.61 1.19 0.05 -1.65 -1.44 116.97 115.13 2pzh h TYR 21 Ca -0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2pzh h TYR 21 Cb 0.27 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 2pzh h TYR 21 CO 0.00 0.60 0.35 -0.07 -1.05 0.00 0.00 178.16 177.99 2pzh h LEU 22 N 0.56 0.74 -0.29 3.88 4.07 -1.57 -1.40 115.31 121.31 2pzh h LEU 22 Ca 0.12 -0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.04 2pzh h LEU 22 Cb 0.37 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 2pzh h LEU 22 CO 0.01 0.60 0.07 0.11 -1.08 0.00 0.00 178.44 178.16 2pzh h LYS 23 N 0.82 0.18 -0.71 1.13 1.57 -1.32 0.05 116.57 118.30 2pzh h LYS 23 Ca 0.22 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 2pzh h LYS 23 Cb 0.01 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 2pzh h LYS 23 CO -0.04 0.12 0.36 1.88 -0.57 0.00 0.00 179.45 181.20 2pzh h TYR 24 N 0.19 0.64 -0.68 -1.35 0.05 -1.02 0.05 116.97 114.86 2pzh h TYR 24 Ca 0.13 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2pzh h TYR 24 Cb 0.12 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 2pzh h TYR 24 CO -0.15 0.24 0.29 0.00 -1.05 0.00 0.00 178.16 177.49 2pzh h GLU 26 N 0.96 0.25 -0.53 0.00 4.22 -0.32 -2.16 114.58 117.01 2pzh h GLU 26 Ca 0.23 -0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.74 2pzh h GLU 26 Cb 0.19 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 2pzh h GLU 26 CO -0.02 0.20 0.12 0.00 -2.18 0.00 0.00 179.01 177.13 2pzh h ARG 27 N 0.23 0.26 -0.54 1.92 3.08 -0.72 -0.97 114.38 117.63 2pzh h ARG 27 Ca 0.07 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.18 2pzh h ARG 27 Cb 0.01 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 2pzh h ARG 27 CO -0.01 0.17 0.17 0.00 -1.07 0.00 0.00 179.97 179.23 2pzh h ALA 28 N 1.40 0.66 -0.01 0.04 0.00 -0.89 0.15 119.26 120.62 2pzh h ALA 28 Ca 0.27 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pzh h ALA 28 Cb 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2pzh h ALA 28 CO -0.33 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 178.69 2pzh h ARG 29 N 0.34 0.01 -0.64 0.00 3.08 -0.85 -3.02 114.38 113.31 2pzh h ARG 29 Ca 0.27 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 2pzh h ARG 29 Cb 0.32 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2pzh h ARG 29 CO -0.29 0.18 0.13 0.77 -1.07 0.00 0.00 179.97 179.70 2pzh h SER 30 N -0.17 0.96 -0.02 7.04 0.02 -0.81 -2.65 113.55 117.92 2pzh h SER 30 Ca 0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2pzh h SER 30 Cb 0.18 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2pzh h SER 30 CO -0.00 0.94 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.53 2pzh h GLU 31 N 0.96 0.11 -0.73 3.45 4.57 -0.68 0.43 114.58 122.70 2pzh h GLU 31 Ca 0.20 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 2pzh h GLU 31 Cb 0.37 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 2pzh h GLU 31 CO 0.00 0.15 0.48 0.74 -1.18 0.00 0.00 179.01 179.21 2pzh h PHE 32 N 0.11 0.85 0.01 0.92 0.04 -1.34 0.16 116.94 117.70 2pzh h PHE 32 Ca 0.03 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 2pzh h PHE 32 Cb 0.12 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.98 2pzh h PHE 32 CO 0.00 0.49 -0.01 0.74 -0.60 0.00 0.00 178.31 178.94 2pzh h PHE 33 N 0.88 -0.01 -0.99 -0.55 0.04 -1.24 -3.26 116.94 111.81 2pzh h PHE 33 Ca 0.30 -0.00 0.21 0.00 2.80 0.00 0.00 57.97 61.28 2pzh h PHE 33 Cb 0.08 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.14 2pzh h PHE 33 CO -0.00 0.78 0.62 0.74 -0.60 0.00 0.00 178.31 179.85 2pzh h PHE 34 N -0.88 0.84 0.00 -0.55 0.04 -0.65 0.10 116.94 115.84 2pzh h PHE 34 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2pzh h PHE 34 Cb 0.80 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2pzh h PHE 34 CO 0.21 0.16 0.00 1.63 -0.60 0.00 0.00 178.31 179.71 2pzh n LYS 35 N -4.67 0.18 -0.66 1.51 5.02 0.53 -0.91 118.16 119.16 2pzh n LYS 35 Ca 0.23 0.39 0.08 0.00 -2.02 0.00 0.00 58.31 56.99 2pzh n LYS 35 Cb 0.69 -1.82 0.33 0.00 -0.02 0.00 0.00 35.03 34.20 2pzh n LYS 35 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2pzh n GLN 36 N -2.15 3.83 -2.50 1.97 1.13 0.31 -4.96 117.38 115.01 2pzh n GLN 36 Ca 0.02 -3.00 -0.19 0.00 -1.94 0.00 0.00 57.00 51.90 2pzh n GLN 36 Cb 0.24 -2.04 0.00 0.00 0.11 0.00 0.00 30.24 28.54 2pzh n GLN 36 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2pzh n ASN 37 N -0.00 -5.45 -4.22 1.08 5.03 -0.09 -5.00 115.26 106.60 2pzh n ASN 37 Ca 0.24 -0.08 -0.13 0.00 0.87 0.00 0.00 54.58 55.49 2pzh n ASN 37 Cb 1.04 -4.45 -0.10 0.00 -1.02 0.00 0.00 39.78 35.25 2pzh n ASN 37 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2pzh s VAL 38 N -2.97 0.93 0.30 2.41 -7.23 -0.96 -5.00 120.40 107.88 2pzh s VAL 38 Ca 0.07 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 2pzh s VAL 38 Cb -0.03 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2pzh s VAL 38 CO 0.08 -0.73 0.58 -0.76 -0.31 0.00 0.00 175.10 173.96 2pzh s LEU 39 N -3.13 4.04 -0.01 1.32 1.43 -1.26 -2.47 118.68 118.59 2pzh s LEU 39 Ca 0.17 0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2pzh s LEU 39 Cb 0.04 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.54 2pzh s LEU 39 CO -0.00 -0.21 2.86 -0.81 0.23 0.00 0.00 176.35 178.41 2pzh n PRO 40 N -0.95 1.55 -3.47 1.29 -0.04 -1.26 -4.74 135.00 127.38 2pzh n PRO 40 Ca -0.01 -0.58 -0.11 0.00 -0.04 0.00 0.00 63.50 62.75 2pzh n PRO 40 Cb 0.54 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2pzh n PRO 40 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2pzh s GLU 41 N 0.47 1.31 0.11 0.54 -1.05 -1.26 -4.27 118.70 114.55 2pzh s GLU 41 Ca 0.36 -0.53 0.02 0.00 -0.15 0.00 0.00 54.97 54.68 2pzh s GLU 41 Cb 0.18 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.44 2pzh s GLU 41 CO -0.00 -0.58 0.10 0.27 0.95 0.00 0.00 175.26 176.00 2pzh n ASN 42 N -0.38 -0.26 0.17 0.83 6.94 -0.69 -5.03 115.26 116.85 2pzh n ASN 42 Ca -0.16 -1.72 0.16 0.00 -0.02 0.00 0.00 54.58 52.84 2pzh n ASN 42 Cb 0.64 0.58 0.77 0.00 -2.36 0.00 0.00 39.78 39.41 2pzh n ASN 42 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2pzh h GLU 43 N 0.00 0.00 -0.10 -3.83 9.09 -2.03 -3.03 114.58 114.67 2pzh h GLU 43 Ca -0.08 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.14 2pzh h GLU 43 Cb 0.40 0.00 -0.38 0.00 -1.65 0.00 0.00 28.75 27.12 2pzh h GLU 43 CO 0.11 0.00 -1.01 0.39 0.05 0.00 0.00 179.01 178.55 2pzh n GLU 44 N -4.08 0.44 -3.45 1.06 1.02 -1.26 -5.06 120.64 109.31 2pzh n GLU 44 Ca 0.02 -2.31 -0.11 0.00 -0.02 0.00 0.00 57.16 54.75 2pzh n GLU 44 Cb 0.33 -0.36 -0.02 0.00 -0.02 0.00 0.00 31.44 31.37 2pzh n GLU 44 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2pzh s GLY 45 N -2.38 -0.57 0.02 0.62 0.00 -1.15 -4.25 107.32 99.60 2pzh s GLY 45 Ca 0.30 0.67 -0.13 0.00 0.00 0.00 0.00 44.72 45.56 2pzh s GLY 45 CO -0.13 0.24 0.29 0.54 0.00 0.00 0.00 173.10 174.04 2pzh s VAL 46 N -3.48 0.07 0.24 1.40 0.11 -0.49 -1.70 120.40 116.55 2pzh s VAL 46 Ca 0.02 -0.61 -0.27 0.00 -2.93 0.00 0.00 61.98 58.19 2pzh s VAL 46 Cb -0.01 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 33.99 2pzh s VAL 46 CO -0.11 -0.34 0.87 -0.36 -3.33 0.00 0.00 175.10 171.84 2pzh s PHE 47 N -1.94 3.87 -0.05 1.54 0.08 -1.26 -1.36 117.98 118.85 2pzh s PHE 47 Ca -0.09 1.76 0.02 0.00 0.12 0.00 0.00 56.93 58.73 2pzh s PHE 47 Cb -0.03 -2.87 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 2pzh s PHE 47 CO 0.00 0.41 -0.08 0.14 -0.10 0.00 0.00 175.22 175.59 2pzh s VAL 48 N -1.30 0.82 0.10 -0.44 -7.23 0.19 -4.95 120.40 107.59 2pzh s VAL 48 Ca 0.42 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 59.97 2pzh s VAL 48 Cb -0.23 -0.78 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 2pzh s VAL 48 CO 0.27 0.28 1.34 -0.51 -0.31 0.00 0.00 175.10 176.18 2pzh s ILE 49 N 0.69 3.49 -0.25 -0.62 2.07 -1.26 -0.63 121.20 124.69 2pzh s ILE 49 Ca -0.12 1.07 -0.07 0.00 -1.41 0.00 0.00 60.65 60.12 2pzh s ILE 49 Cb -0.14 -3.69 -0.16 0.00 0.13 0.00 0.00 42.46 38.60 2pzh s ILE 49 CO 0.02 0.08 -0.20 0.54 -1.91 0.00 0.00 174.94 173.47 2pzh n ARG 50 N 3.97 0.63 -3.47 3.50 5.12 0.46 -4.90 116.66 121.96 2pzh n ARG 50 Ca 0.11 0.24 -0.15 0.00 -1.93 0.00 0.00 57.85 56.12 2pzh n ARG 50 Cb 0.43 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.15 2pzh n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2pzh s SER 51 N -6.99 -0.61 -0.01 0.55 1.04 -1.18 -5.00 113.70 101.50 2pzh s SER 51 Ca -0.35 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.47 2pzh s SER 51 Cb 0.11 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 2pzh s SER 51 CO 0.57 -0.78 -0.07 -0.51 0.98 0.00 0.00 173.24 173.44 2pzh s ILE 52 N -2.42 0.52 -0.15 -1.02 2.07 -1.26 -1.86 121.20 117.08 2pzh s ILE 52 Ca -0.05 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 2pzh s ILE 52 Cb -0.00 -0.45 0.02 0.00 0.13 0.00 0.00 42.46 42.16 2pzh s ILE 52 CO -0.01 0.15 -0.19 -0.75 -1.91 0.00 0.00 174.94 172.23 2pzh s LYS 53 N -0.13 2.81 -0.01 3.50 2.47 0.09 -4.98 119.74 123.49 2pzh s LYS 53 Ca 0.02 -0.77 0.02 0.00 -1.56 0.00 0.00 55.97 53.69 2pzh s LYS 53 Cb -0.03 -2.38 -0.00 0.00 -1.46 0.00 0.00 37.83 33.96 2pzh s LYS 53 CO -0.00 -0.14 -0.08 0.00 0.16 0.00 0.00 175.35 175.29 2pzh s ALA 54 N 1.14 0.70 -0.01 3.13 0.00 -1.26 -0.23 121.76 125.23 2pzh s ALA 54 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2pzh s ALA 54 Cb -0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2pzh s ALA 54 CO -0.08 0.14 -0.26 -0.51 0.00 0.00 0.00 175.76 175.06 2pzh s ASP 55 N -0.02 3.03 -0.13 0.00 1.01 -0.31 -5.00 116.67 115.25 2pzh s ASP 55 Ca 0.01 -0.49 -0.03 0.00 0.71 0.00 0.00 52.55 52.75 2pzh s ASP 55 Cb -0.05 -0.32 -0.03 0.00 1.01 0.00 0.00 42.92 43.52 2pzh s ASP 55 CO -0.00 0.30 -0.02 -0.36 0.21 0.00 0.00 175.17 175.30 2pzh s PHE 56 N -0.64 3.07 0.00 4.23 0.40 -1.26 -1.54 117.98 122.23 2pzh s PHE 56 Ca 0.10 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2pzh s PHE 56 Cb -0.10 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2pzh s PHE 56 CO -0.00 0.16 0.00 1.19 0.70 0.00 0.00 175.22 177.27 2pzh n PHE 57 N 3.00 0.00 -2.04 0.36 3.72 -0.27 -4.96 117.46 117.27 2pzh n PHE 57 Ca -0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 2pzh n PHE 57 Cb 0.53 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 2pzh n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2pzh s THR 58 N 4.01 3.57 0.42 4.37 2.01 -1.06 -4.92 115.64 124.03 2pzh s THR 58 Ca 0.00 0.77 -0.26 0.00 0.31 0.00 0.00 61.69 62.51 2pzh s THR 58 Cb 0.00 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 2pzh s THR 58 CO 0.00 -0.05 1.37 -2.16 -0.69 0.00 0.00 174.62 173.09 2pzh s PRO 59 N 3.66 3.88 0.47 4.92 0.04 -1.26 -4.25 135.00 142.46 2pzh s PRO 59 Ca 0.71 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 64.03 2pzh s PRO 59 Cb -0.33 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 2pzh s PRO 59 CO 0.29 -0.62 0.75 0.00 0.04 0.00 0.00 177.00 177.46 2pzh s ALA 60 N -1.22 3.49 0.26 8.56 0.00 -1.26 -4.95 121.76 126.64 2pzh s ALA 60 Ca 0.58 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 2pzh s ALA 60 Cb -0.41 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 2pzh s ALA 60 CO 0.53 -0.39 0.31 -1.54 0.00 0.00 0.00 175.76 174.68 2pzh s SER 61 N -4.15 0.43 0.06 0.00 1.04 -1.26 -1.30 113.70 108.52 2pzh s SER 61 Ca 0.48 -1.33 -0.37 0.00 0.48 0.00 0.00 55.95 55.20 2pzh s SER 61 Cb -0.10 0.51 -0.17 0.00 0.10 0.00 0.00 66.02 66.36 2pzh s SER 61 CO 0.42 -1.04 1.34 -0.11 0.98 0.00 0.00 173.24 174.84 2pzh n LEU 62 N -0.40 1.58 0.00 2.42 7.94 -1.26 -2.31 117.00 124.97 2pzh n LEU 62 Ca 0.02 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 2pzh n LEU 62 Cb 0.64 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2pzh n LEU 62 CO 0.29 -1.07 0.00 0.61 -1.11 0.00 0.00 177.39 176.12 2pzh n GLY 63 N 2.54 2.10 3.77 -3.96 0.00 -0.05 -4.68 105.19 104.92 2pzh n GLY 63 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2pzh n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pzh s GLN 64 N -0.46 2.78 -0.18 1.61 -0.21 -0.98 -3.16 119.66 119.06 2pzh s GLN 64 Ca 0.00 1.43 -0.04 0.00 0.02 0.00 0.00 55.36 56.77 2pzh s GLN 64 Cb 0.00 -1.94 -0.02 0.00 1.00 0.00 0.00 33.01 32.04 2pzh s GLN 64 CO 0.00 -1.27 -0.03 0.08 -2.12 0.00 0.00 175.29 171.94 2pzh s VAL 65 N -2.28 3.79 -0.03 1.09 1.01 -0.51 -0.98 120.40 122.49 2pzh s VAL 65 Ca 0.68 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2pzh s VAL 65 Cb -0.21 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2pzh s VAL 65 CO 0.41 0.47 -0.04 -0.76 0.00 0.00 0.00 175.10 175.17 2pzh s LEU 66 N 0.69 3.31 -0.17 3.92 1.43 0.92 -0.98 118.68 127.80 2pzh s LEU 66 Ca -0.02 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2pzh s LEU 66 Cb -0.14 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2pzh s LEU 66 CO 0.02 0.32 -0.07 -0.70 0.23 0.00 0.00 176.35 176.16 2pzh s GLU 67 N -1.18 3.50 -0.30 1.70 2.12 0.17 -0.57 118.70 124.14 2pzh s GLU 67 Ca 0.16 -0.60 -0.11 0.00 0.36 0.00 0.00 54.97 54.77 2pzh s GLU 67 Cb -0.11 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 2pzh s GLU 67 CO 0.05 0.11 0.19 0.42 -0.54 0.00 0.00 175.26 175.50 2pzh s ILE 68 N 0.68 5.15 -0.23 -3.70 1.09 0.71 -1.38 121.20 123.52 2pzh s ILE 68 Ca -0.04 -0.05 -0.08 0.00 -1.10 0.00 0.00 60.65 59.39 2pzh s ILE 68 Cb -0.15 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 2pzh s ILE 68 CO 0.02 0.15 0.08 -0.13 -0.10 0.00 0.00 174.94 174.96 2pzh s ARG 69 N 1.72 3.81 -0.05 2.79 0.52 0.18 -2.85 118.95 125.07 2pzh s ARG 69 Ca 0.06 -0.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.93 2pzh s ARG 69 Cb -0.17 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 2pzh s ARG 69 CO 0.10 -0.01 -0.25 0.99 0.02 0.00 0.00 175.30 176.15 2pzh s THR 70 N 1.15 2.09 0.03 0.02 2.01 -1.26 -1.47 115.64 118.20 2pzh s THR 70 Ca 0.05 -1.06 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 2pzh s THR 70 Cb -0.14 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2pzh s THR 70 CO 0.04 0.57 -0.03 0.00 -0.69 0.00 0.00 174.62 174.51 2pzh s GLN 71 N -0.22 0.38 -0.29 4.92 -2.07 -0.34 -5.01 119.66 117.03 2pzh s GLN 71 Ca -0.02 -0.75 -0.26 0.00 -1.82 0.00 0.00 55.36 52.51 2pzh s GLN 71 Cb -0.13 0.13 0.01 0.00 -1.09 0.00 0.00 33.01 31.93 2pzh s GLN 71 CO 0.03 -0.06 0.92 0.42 -1.32 0.00 0.00 175.29 175.28 2pzh s ILE 72 N -2.01 4.69 -0.08 3.63 -1.09 -1.26 -0.87 121.20 124.21 2pzh s ILE 72 Ca -0.11 1.52 -0.27 0.00 -2.23 0.00 0.00 60.65 59.56 2pzh s ILE 72 Cb -0.06 -4.25 -0.23 0.00 -1.58 0.00 0.00 42.46 36.34 2pzh s ILE 72 CO -0.03 -0.30 0.98 0.50 -1.23 0.00 0.00 174.94 174.86 2pzh h LYS 73 N 7.97 -0.01 -2.49 2.79 1.63 -0.87 -3.47 116.57 122.12 2pzh h LYS 73 Ca -0.22 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.49 2pzh h LYS 73 Cb 1.08 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.47 2pzh h LYS 73 CO 0.94 0.72 -0.19 -2.00 -3.45 0.00 0.00 179.45 175.48 2pzh s GLU 74 N -3.16 0.51 -0.17 1.90 2.12 -1.03 -5.00 118.70 113.87 2pzh s GLU 74 Ca -0.17 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.01 2pzh s GLU 74 Cb -0.01 0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.51 2pzh s GLU 74 CO 0.66 -0.13 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.99 2pzh s LEU 75 N 1.13 1.78 0.51 2.70 0.20 -1.26 -0.36 118.68 123.38 2pzh s LEU 75 Ca -0.07 -0.66 0.03 0.00 0.69 0.00 0.00 54.13 54.12 2pzh s LEU 75 Cb -0.06 -1.05 0.00 0.00 -0.43 0.00 0.00 46.19 44.65 2pzh s LEU 75 CO -0.10 -0.14 0.16 -0.13 -0.29 0.00 0.00 176.35 175.85 2pzh s ARG 76 N 1.54 2.21 0.26 1.98 1.81 0.07 -5.03 118.95 121.80 2pzh s ARG 76 Ca 0.01 -2.22 -0.04 0.00 -1.72 0.00 0.00 55.73 51.76 2pzh s ARG 76 Cb -0.15 -1.77 0.33 0.00 -0.45 0.00 0.00 34.95 32.91 2pzh s ARG 76 CO -0.08 -0.43 1.90 -0.22 -0.68 0.00 0.00 175.30 175.78 2pzh h LYS 77 N 1.14 1.14 0.00 3.54 3.64 -2.00 -3.28 116.57 120.75 2pzh h LYS 77 Ca -0.41 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2pzh h LYS 77 Cb 1.30 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2pzh h LYS 77 CO 0.68 0.82 -0.94 0.28 -2.27 0.00 0.00 179.45 178.02 2pzh n VAL 78 N -4.35 0.00 -3.74 2.00 0.31 -1.26 -0.97 118.33 110.31 2pzh n VAL 78 Ca 0.09 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 2pzh n VAL 78 Cb 0.09 0.83 -0.04 0.00 -0.91 0.00 0.00 33.84 33.80 2pzh n VAL 78 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 2pzh s PHE 79 N -2.61 -0.09 0.00 3.52 -0.12 -1.24 -3.60 117.98 113.84 2pzh s PHE 79 Ca 0.04 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.68 2pzh s PHE 79 Cb 0.12 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 2pzh s PHE 79 CO 0.65 -0.88 -0.06 0.54 -0.05 0.00 0.00 175.22 175.42 2pzh s VAL 80 N -3.87 0.48 -0.14 -2.49 0.11 -0.75 -0.75 120.40 112.99 2pzh s VAL 80 Ca 0.09 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2pzh s VAL 80 Cb -0.00 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2pzh s VAL 80 CO -0.04 0.05 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.95 2pzh s VAL 81 N -0.33 2.79 -0.00 2.04 1.01 0.51 -1.07 120.40 125.35 2pzh s VAL 81 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2pzh s VAL 81 Cb -0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2pzh s VAL 81 CO -0.00 0.52 -0.09 -0.76 0.00 0.00 0.00 175.10 174.77 2pzh s LEU 82 N 0.63 3.05 -0.18 3.92 1.02 0.02 -0.15 118.68 127.00 2pzh s LEU 82 Ca -0.08 -0.17 -0.05 0.00 0.02 0.00 0.00 54.13 53.84 2pzh s LEU 82 Cb -0.16 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 2pzh s LEU 82 CO 0.03 0.29 0.01 0.12 0.02 0.00 0.00 176.35 176.82 2pzh s PHE 83 N -0.94 3.10 -0.05 0.29 5.36 -0.05 -1.14 117.98 124.55 2pzh s PHE 83 Ca 0.16 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 55.93 2pzh s PHE 83 Cb -0.11 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2pzh s PHE 83 CO 0.06 -0.03 -0.10 -0.65 -1.46 0.00 0.00 175.22 173.04 2pzh s GLN 84 N 0.54 1.33 0.04 10.12 -0.21 -0.18 -1.20 119.66 130.10 2pzh s GLN 84 Ca -0.00 -0.32 0.08 0.00 0.02 0.00 0.00 55.36 55.13 2pzh s GLN 84 Cb -0.14 -1.16 -0.03 0.00 1.00 0.00 0.00 33.01 32.69 2pzh s GLN 84 CO 0.02 0.03 -0.23 -1.21 -2.12 0.00 0.00 175.29 171.78 2pzh s GLU 85 N 0.59 1.59 -0.13 2.91 2.02 -0.54 0.44 118.70 125.58 2pzh s GLU 85 Ca -0.11 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 53.90 2pzh s GLU 85 Cb -0.14 -1.72 -0.00 0.00 0.10 0.00 0.00 34.13 32.37 2pzh s GLU 85 CO 0.02 0.44 -0.19 0.42 0.02 0.00 0.00 175.26 175.98 2pzh s ILE 86 N -0.78 2.47 -0.02 -1.63 1.01 0.47 -0.65 121.20 122.07 2pzh s ILE 86 Ca 0.09 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2pzh s ILE 86 Cb -0.09 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 2pzh s ILE 86 CO 0.02 0.54 -0.23 -0.31 0.00 0.00 0.00 174.94 174.95 2pzh s TYR 87 N 0.56 2.41 -0.12 3.97 1.51 -0.48 -0.39 117.35 124.82 2pzh s TYR 87 Ca -0.11 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.28 2pzh s TYR 87 Cb -0.16 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2pzh s TYR 87 CO 0.04 0.03 1.03 0.00 -1.11 0.00 0.00 175.55 175.54 2pzh n ILE 89 N 4.68 0.00 -3.82 0.00 -5.35 -0.16 -1.98 119.36 112.73 2pzh n ILE 89 Ca 0.09 -0.28 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 2pzh n ILE 89 Cb 0.48 0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 39.06 2pzh n ILE 89 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pzh s GLN 90 N -1.89 0.58 0.45 6.28 -0.21 -1.13 -4.85 119.66 118.88 2pzh s GLN 90 Ca 0.01 -0.34 0.08 0.00 0.02 0.00 0.00 55.36 55.12 2pzh s GLN 90 Cb 0.04 0.25 0.01 0.00 1.00 0.00 0.00 33.01 34.31 2pzh s GLN 90 CO 0.26 -0.15 0.47 0.54 -2.12 0.00 0.00 175.29 174.28 2pzh s ASN 91 N -1.43 5.11 0.46 5.90 2.20 -1.26 -1.43 114.94 124.50 2pzh s ASN 91 Ca -0.13 -0.76 0.21 0.00 -0.94 0.00 0.00 52.86 51.23 2pzh s ASN 91 Cb -0.06 -0.35 1.14 0.00 -2.00 0.00 0.00 41.25 39.98 2pzh s ASN 91 CO 0.02 -0.81 1.98 0.00 -2.94 0.00 0.00 177.10 175.35 2pzh h ALA 92 N 0.82 1.39 -0.00 3.54 0.00 -1.82 -2.37 119.26 120.81 2pzh h ALA 92 Ca -0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2pzh h ALA 92 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2pzh h ALA 92 CO 0.53 0.25 -0.04 0.43 0.00 0.00 0.00 179.25 180.42 2pzh n SER 93 N -3.89 0.09 -3.95 0.00 7.64 -1.26 -4.92 113.62 107.33 2pzh n SER 93 Ca -0.02 -0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.53 2pzh n SER 93 Cb 0.29 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2pzh n SER 93 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2pzh n LEU 94 N -1.30 -2.40 -4.89 -3.43 7.94 -0.89 -4.99 117.00 107.03 2pzh n LEU 94 Ca 0.12 -0.90 -0.31 0.00 -1.11 0.00 0.00 56.01 53.82 2pzh n LEU 94 Cb 0.28 -2.39 -0.05 0.00 0.53 0.00 0.00 43.42 41.79 2pzh n LEU 94 CO 0.25 0.41 0.13 -1.61 -1.11 0.00 0.00 177.39 175.45 2pzh s GLU 95 N -6.54 3.68 0.33 1.96 2.02 -1.26 -5.02 118.70 113.87 2pzh s GLU 95 Ca 0.38 0.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.12 2pzh s GLU 95 Cb -0.20 -2.74 -0.11 0.00 0.10 0.00 0.00 34.13 31.18 2pzh s GLU 95 CO 0.86 0.36 1.51 -1.25 0.02 0.00 0.00 175.26 176.77 2pzh s PRO 96 N -2.91 4.15 -0.14 0.39 0.04 -1.26 -4.67 135.00 130.59 2pzh s PRO 96 Ca 0.44 2.53 -0.19 0.00 0.04 0.00 0.00 61.00 63.82 2pzh s PRO 96 Cb -0.11 -3.01 0.05 0.00 0.04 0.00 0.00 34.50 31.46 2pzh s PRO 96 CO 0.25 -0.54 0.49 0.00 0.04 0.00 0.00 177.00 177.23 2pzh s MET 97 N -1.29 0.66 0.05 4.56 0.23 -1.26 -5.11 119.30 117.15 2pzh s MET 97 Ca 0.57 0.47 -0.30 0.00 -1.03 0.00 0.00 55.69 55.40 2pzh s MET 97 Cb -0.46 0.32 -0.05 0.00 -1.53 0.00 0.00 34.83 33.11 2pzh s MET 97 CO 0.55 -0.13 1.11 0.21 -2.03 0.00 0.00 175.02 174.73 2pzh s LYS 98 N -0.23 4.49 0.36 3.16 2.47 -1.26 -4.98 119.74 123.75 2pzh s LYS 98 Ca -0.04 1.64 -0.28 0.00 -1.56 0.00 0.00 55.97 55.73 2pzh s LYS 98 Cb -0.03 -3.38 -0.12 0.00 -1.46 0.00 0.00 37.83 32.84 2pzh s LYS 98 CO 0.03 -0.15 1.33 -2.30 0.16 0.00 0.00 175.35 174.41 2pzh n PRO 99 N 3.78 2.23 -4.69 4.03 -0.02 -1.26 -4.98 135.00 134.08 2pzh n PRO 99 Ca 0.07 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 62.10 2pzh n PRO 99 Cb 0.48 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 2pzh n PRO 99 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2pzh s PHE 100 N -1.11 1.49 0.24 6.00 -0.12 -0.84 -4.95 117.98 118.70 2pzh s PHE 100 Ca 0.55 -0.31 -0.30 0.00 -0.05 0.00 0.00 56.93 56.83 2pzh s PHE 100 Cb -0.54 -0.94 -0.09 0.00 -0.63 0.00 0.00 43.02 40.82 2pzh s PHE 100 CO 0.62 0.00 1.18 0.21 -0.05 0.00 0.00 175.22 177.19 2pzh s LYS 101 N -0.64 4.53 -0.06 1.99 2.20 -1.26 -0.49 119.74 126.01 2pzh s LYS 101 Ca 0.06 1.90 0.04 0.00 -0.36 0.00 0.00 55.97 57.61 2pzh s LYS 101 Cb -0.07 -3.20 -0.06 0.00 -1.51 0.00 0.00 37.83 32.99 2pzh s LYS 101 CO 0.00 0.00 -0.00 0.28 -0.36 0.00 0.00 175.35 175.27 2pzh n VAL 102 N 1.80 0.40 -3.61 4.02 0.31 0.48 -2.57 118.33 119.16 2pzh n VAL 102 Ca 0.02 -0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 64.02 2pzh n VAL 102 Cb 0.44 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.48 2pzh n VAL 102 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2pzh s PHE 103 N -2.14 -0.50 0.04 3.52 5.36 -1.17 -1.11 117.98 121.98 2pzh s PHE 103 Ca -0.05 1.09 0.02 0.00 -0.96 0.00 0.00 56.93 57.03 2pzh s PHE 103 Cb 0.02 0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 43.06 2pzh s PHE 103 CO 0.22 -0.32 -0.07 0.00 -1.46 0.00 0.00 175.22 173.59 2pzh s ALA 104 N -0.29 0.54 0.05 11.12 0.00 -0.59 -0.39 121.76 132.20 2pzh s ALA 104 Ca -0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2pzh s ALA 104 Cb -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2pzh s ALA 104 CO -0.01 -0.02 0.05 -1.54 0.00 0.00 0.00 175.76 174.24 2pzh s SER 105 N -1.47 0.28 -0.11 0.00 1.04 0.17 -1.16 113.70 112.45 2pzh s SER 105 Ca -0.09 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.65 2pzh s SER 105 Cb -0.09 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2pzh s SER 105 CO 0.00 -0.54 -0.14 -0.70 0.98 0.00 0.00 173.24 172.84 2pzh s GLU 106 N -3.06 2.13 -0.05 4.02 2.12 0.67 -1.01 118.70 123.52 2pzh s GLU 106 Ca -0.01 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.82 2pzh s GLU 106 Cb 0.02 -1.85 0.01 0.00 0.26 0.00 0.00 34.13 32.57 2pzh s GLU 106 CO -0.07 -0.09 -0.10 0.42 -0.54 0.00 0.00 175.26 174.88 2pzh s ILE 107 N 1.07 0.91 -0.14 -3.70 1.01 -0.29 -0.73 121.20 119.33 2pzh s ILE 107 Ca -0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 2pzh s ILE 107 Cb -0.15 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 2pzh s ILE 107 CO -0.03 0.30 0.01 -0.75 0.00 0.00 0.00 174.94 174.47 2pzh s LYS 108 N 0.53 3.57 0.04 2.79 2.20 -0.78 -0.80 119.74 127.29 2pzh s LYS 108 Ca -0.10 -0.42 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 2pzh s LYS 108 Cb -0.13 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2pzh s LYS 108 CO 0.02 0.40 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.11 2pzh s PHE 109 N -0.04 2.11 0.43 4.03 0.08 -0.23 -0.40 117.98 123.97 2pzh s PHE 109 Ca 0.04 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.76 2pzh s PHE 109 Cb -0.13 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 2pzh s PHE 109 CO 0.02 0.09 0.31 0.20 -0.10 0.00 0.00 175.22 175.74 2pzh s GLY 110 N -1.12 2.25 -0.06 4.36 0.00 0.20 -1.81 107.32 111.14 2pzh s GLY 110 Ca 0.10 -1.87 0.05 0.00 0.00 0.00 0.00 44.72 43.00 2pzh s GLY 110 CO 0.02 -1.82 -0.22 -0.12 0.00 0.00 0.00 173.10 170.96 2pzh s PHE 111 N -2.57 2.50 0.03 1.90 5.36 -1.24 -0.64 117.98 123.34 2pzh s PHE 111 Ca 0.43 -0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 55.83 2pzh s PHE 111 Cb -0.00 -1.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.04 2pzh s PHE 111 CO 0.25 -0.11 -0.02 0.14 -1.46 0.00 0.00 175.22 174.02 2pzh s VAL 112 N -0.30 0.16 0.44 3.12 -7.23 -0.47 -1.21 120.40 114.91 2pzh s VAL 112 Ca 0.01 -1.33 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 2pzh s VAL 112 Cb -0.13 -0.88 -0.08 0.00 0.56 0.00 0.00 36.38 35.86 2pzh s VAL 112 CO 0.02 -0.73 1.20 0.21 -0.31 0.00 0.00 175.10 175.49 2pzh s ASN 113 N -2.17 6.23 0.03 4.85 3.84 -0.84 -1.40 114.94 125.48 2pzh s ASN 113 Ca -0.05 2.39 -0.28 0.00 0.21 0.00 0.00 52.86 55.14 2pzh s ASN 113 Cb -0.01 -2.61 -0.17 0.00 -0.55 0.00 0.00 41.25 37.91 2pzh s ASN 113 CO -0.05 -0.88 1.38 0.03 -2.79 0.00 0.00 177.10 174.79 2pzh h ARG 114 N 2.26 -0.57 0.05 0.43 3.08 -1.92 0.13 114.38 117.84 2pzh h ARG 114 Ca -0.49 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 2pzh h ARG 114 Cb 1.25 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2pzh h ARG 114 CO 0.61 -0.29 -0.03 0.77 -1.07 0.00 0.00 179.97 179.96 2pzh h SER 115 N -0.80 -0.06 -0.09 7.04 0.02 -1.95 -3.31 113.55 114.41 2pzh h SER 115 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2pzh h SER 115 Cb 0.55 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2pzh h SER 115 CO 0.10 -0.04 0.02 0.74 -1.14 0.00 0.00 176.83 176.51 2pzh h THR 116 N -0.08 1.08 -0.75 -2.27 2.02 -1.99 -3.45 112.91 107.47 2pzh h THR 116 Ca -0.01 -0.30 -0.32 0.00 0.77 0.00 0.00 66.41 66.55 2pzh h THR 116 Cb 0.05 0.95 -0.13 0.00 -1.74 0.00 0.00 68.15 67.28 2pzh h THR 116 CO 0.01 0.10 -0.29 0.00 0.37 0.00 0.00 175.52 175.71 2pzh n TYR 117 N -4.44 0.00 -2.94 3.16 9.36 0.45 -4.97 117.16 117.78 2pzh n TYR 117 Ca -0.01 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.84 2pzh n TYR 117 Cb 0.14 -2.82 -0.06 0.00 -0.63 0.00 0.00 39.34 35.96 2pzh n TYR 117 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2pzh s SER 118 N -2.78 7.27 0.03 2.98 0.15 -1.26 -4.73 113.70 115.36 2pzh s SER 118 Ca 0.00 1.65 -0.30 0.00 0.70 0.00 0.00 55.95 58.00 2pzh s SER 118 Cb 0.00 -2.50 -0.08 0.00 -1.71 0.00 0.00 66.02 61.73 2pzh s SER 118 CO 0.00 0.05 1.81 -2.16 1.20 0.00 0.00 173.24 174.14 2pzh s PRO 119 N -1.77 4.16 0.37 5.44 0.04 -1.26 -1.98 135.00 139.99 2pzh s PRO 119 Ca 0.44 2.45 0.06 0.00 0.04 0.00 0.00 61.00 63.98 2pzh s PRO 119 Cb -0.19 -3.96 -0.07 0.00 0.04 0.00 0.00 34.50 30.32 2pzh s PRO 119 CO 0.24 -0.88 0.03 0.96 0.04 0.00 0.00 177.00 177.39 2pzh s ILE 120 N 3.86 1.63 0.49 0.56 -4.36 -0.35 -4.95 121.20 118.08 2pzh s ILE 120 Ca 0.81 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.98 2pzh s ILE 120 Cb -0.40 -2.90 -0.07 0.00 1.25 0.00 0.00 42.46 40.35 2pzh s ILE 120 CO 0.36 -0.01 1.19 0.00 0.24 0.00 0.00 174.94 176.72 2pzh s ALA 121 N -2.98 2.88 0.26 2.27 0.00 -1.26 -4.29 121.76 118.65 2pzh s ALA 121 Ca 0.36 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 2pzh s ALA 121 Cb 0.09 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 2pzh s ALA 121 CO 0.17 -0.80 1.58 0.42 0.00 0.00 0.00 175.76 177.13 2pzh s ILE 122 N -1.55 2.22 0.41 0.00 1.01 -0.14 -4.92 121.20 118.22 2pzh s ILE 122 Ca 0.67 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 61.24 2pzh s ILE 122 Cb -0.29 -3.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.96 2pzh s ILE 122 CO 0.35 0.03 1.24 -2.65 0.00 0.00 0.00 174.94 173.91 2pzh n PRO 123 N 2.56 1.87 -0.36 2.79 -0.02 -1.26 -4.75 135.00 135.84 2pzh n PRO 123 Ca 0.09 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 2pzh n PRO 123 Cb 0.38 -2.33 0.25 0.00 -0.02 0.00 0.00 33.50 31.77 2pzh n PRO 123 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2pzh h LYS 124 N 2.06 0.95 -0.28 -0.52 1.57 -1.99 0.20 116.57 118.56 2pzh h LYS 124 Ca -0.47 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.18 2pzh h LYS 124 Cb 1.30 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2pzh h LYS 124 CO 0.60 0.63 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.90 2pzh h LEU 125 N 0.98 0.46 -0.10 2.94 3.38 -2.00 -1.61 115.31 119.37 2pzh h LEU 125 Ca 0.50 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 58.12 2pzh h LEU 125 Cb 0.52 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2pzh h LEU 125 CO -0.27 0.63 -1.01 -0.26 0.09 0.00 0.00 178.44 177.62 2pzh h PHE 126 N 0.44 0.31 -0.18 1.13 0.04 -1.58 -2.47 116.94 114.63 2pzh h PHE 126 Ca 0.08 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 60.66 2pzh h PHE 126 Cb 0.51 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2pzh h PHE 126 CO 0.02 1.08 0.10 -0.22 -0.60 0.00 0.00 178.31 178.69 2pzh h LYS 127 N 0.08 0.20 -0.77 1.51 1.63 -0.77 0.41 116.57 118.86 2pzh h LYS 127 Ca -0.07 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2pzh h LYS 127 Cb 1.70 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 33.25 2pzh h LYS 127 CO 0.16 0.13 0.48 0.93 -3.45 0.00 0.00 179.45 177.70 2pzh h GLU 128 N 0.21 1.04 -0.54 1.90 5.08 -1.30 -0.73 114.58 120.24 2pzh h GLU 128 Ca 0.07 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2pzh h GLU 128 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2pzh h GLU 128 CO -0.04 0.72 0.12 -0.07 -1.00 0.00 0.00 179.01 178.74 2pzh h LEU 129 N 1.05 0.83 -0.45 1.33 3.38 -1.10 -2.65 115.31 117.70 2pzh h LEU 129 Ca 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pzh h LEU 129 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2pzh h LEU 129 CO -0.06 0.86 0.20 -0.07 0.09 0.00 0.00 178.44 179.46 2pzh h LEU 130 N 0.76 0.60 -2.01 1.67 -0.00 -0.66 -2.39 115.31 113.28 2pzh h LEU 130 Ca 0.17 -0.14 0.12 0.00 -0.00 0.00 0.00 57.88 58.03 2pzh h LEU 130 Cb 0.36 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 2pzh h LEU 130 CO 0.00 0.58 0.32 0.78 -0.00 0.00 0.00 178.44 180.12 2pzh h ASN 131 N 0.58 0.00 -0.01 -0.43 2.35 -0.92 -3.46 115.58 113.68 2pzh h ASN 131 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2pzh h ASN 131 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2pzh h ASN 131 CO -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.76