#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pzh s MET 1 N 0.00 0.09 -0.02 1.57 -2.45 -0.68 -4.99 119.30 112.82 2pzh s MET 1 Ca 0.00 0.03 0.03 0.00 -1.25 0.00 0.00 55.69 54.50 2pzh s MET 1 Cb 0.00 0.04 -0.03 0.00 1.25 0.00 0.00 34.83 36.09 2pzh s MET 1 CO 0.00 -0.01 -0.09 1.03 1.05 0.00 0.00 175.02 176.99 2pzh s ARG 2 N -0.10 2.54 0.01 4.11 0.52 -1.26 0.03 118.95 124.81 2pzh s ARG 2 Ca -0.01 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.50 2pzh s ARG 2 Cb -0.01 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2pzh s ARG 2 CO 0.00 0.62 -0.01 0.00 0.02 0.00 0.00 175.30 175.92 2pzh s ARG 4 N -0.96 3.49 -0.29 0.00 6.06 -1.26 -0.04 118.95 125.95 2pzh s ARG 4 Ca -0.11 -0.10 -0.27 0.00 -2.50 0.00 0.00 55.73 52.76 2pzh s ARG 4 Cb -0.07 -3.17 0.01 0.00 0.06 0.00 0.00 34.95 31.78 2pzh s ARG 4 CO -0.01 0.75 0.95 0.08 -2.50 0.00 0.00 175.30 174.57 2pzh s VAL 5 N -1.09 4.67 0.44 7.11 1.01 -0.49 -4.97 120.40 127.08 2pzh s VAL 5 Ca 0.18 1.58 0.07 0.00 0.00 0.00 0.00 61.98 63.82 2pzh s VAL 5 Cb -0.13 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2pzh s VAL 5 CO 0.07 -0.31 0.39 -0.31 0.00 0.00 0.00 175.10 174.94 2pzh s TYR 6 N 3.26 2.49 0.28 5.22 2.02 -1.26 -0.72 117.35 128.64 2pzh s TYR 6 Ca 0.40 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2pzh s TYR 6 Cb -0.14 -2.12 0.56 0.00 -0.40 0.00 0.00 41.96 39.86 2pzh s TYR 6 CO 0.12 -0.20 1.81 1.88 -1.57 0.00 0.00 175.55 177.59 2pzh h TYR 7 N 0.97 1.05 -0.08 2.71 -1.99 -1.96 -0.35 116.97 117.32 2pzh h TYR 7 Ca -0.40 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.38 2pzh h TYR 7 Cb 1.27 -0.33 -0.00 0.00 2.00 0.00 0.00 36.73 39.67 2pzh h TYR 7 CO 0.59 0.37 0.16 1.05 -0.00 0.00 0.00 178.16 180.33 2pzh h GLU 8 N 0.89 0.00 0.00 4.88 4.11 -2.01 -2.09 114.58 120.36 2pzh h GLU 8 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 2pzh h GLU 8 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2pzh h GLU 8 CO -0.29 0.00 -0.76 -0.44 0.07 0.00 0.00 179.01 177.58 2pzh h ASP 9 N 0.00 0.00 -2.79 3.06 3.32 -1.45 -3.48 116.42 115.08 2pzh h ASP 9 Ca 0.04 -0.01 -0.48 0.00 0.02 0.00 0.00 57.03 56.61 2pzh h ASP 9 Cb 0.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2pzh h ASP 9 CO -0.00 0.00 -0.20 0.42 -1.72 0.00 0.00 179.24 177.74 2pzh s THR 10 N -3.32 5.11 0.22 0.35 -4.23 -0.79 -1.42 115.64 111.56 2pzh s THR 10 Ca 0.01 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2pzh s THR 10 Cb 0.09 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 70.08 2pzh s THR 10 CO 0.76 -0.54 0.07 -0.90 -0.54 0.00 0.00 174.62 173.46 2pzh n ASP 11 N -1.74 2.27 0.32 3.99 5.68 -0.16 -4.62 116.55 122.28 2pzh n ASP 11 Ca -0.05 -1.89 0.21 0.00 -0.50 0.00 0.00 54.79 52.56 2pzh n ASP 11 Cb 0.56 0.09 1.06 0.00 -1.14 0.00 0.00 41.12 41.69 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 0.43 0.00 0.39 -1.12 4.64 -2.00 0.12 113.55 116.01 2pzh h SER 12 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2pzh h SER 12 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2pzh h SER 12 CO 0.27 0.00 -0.01 1.21 -0.87 0.00 0.00 176.83 177.44 2pzh n GLU 13 N -3.11 0.61 -0.96 4.77 4.07 -1.26 -4.93 120.64 119.84 2pzh n GLU 13 Ca -0.02 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2pzh n GLU 13 Cb 0.14 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 2pzh n GLU 13 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2pzh n GLY 14 N 1.20 0.46 3.50 8.31 0.00 0.43 -5.04 105.19 114.05 2pzh n GLY 14 Ca 0.17 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 1.11 0.08 1.61 -7.23 -1.26 -4.40 120.40 108.31 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 -2.66 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 2pzh s VAL 15 CO 0.00 0.00 1.62 -0.69 -0.31 0.00 0.00 175.10 175.72 2pzh s VAL 16 N -3.20 3.03 0.18 1.32 1.01 -0.68 -0.99 120.40 121.07 2pzh s VAL 16 Ca 0.31 0.53 -0.33 0.00 0.00 0.00 0.00 61.98 62.48 2pzh s VAL 16 Cb 0.07 -3.34 -0.14 0.00 0.00 0.00 0.00 36.38 32.97 2pzh s VAL 16 CO 0.14 0.00 1.52 0.00 0.00 0.00 0.00 175.10 176.77 2pzh n TYR 17 N 5.36 2.21 -0.32 5.22 9.36 -0.51 -4.82 117.16 133.66 2pzh n TYR 17 Ca 0.15 0.33 0.08 0.00 3.32 0.00 0.00 57.90 61.78 2pzh n TYR 17 Cb 0.40 -2.51 0.24 0.00 -0.63 0.00 0.00 39.34 36.85 2pzh n TYR 17 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pzh h HIS 18 N 5.42 0.91 0.00 2.98 2.07 -1.91 -0.49 115.15 124.12 2pzh h HIS 18 Ca -0.45 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.09 2pzh h HIS 18 Cb 1.26 -0.27 -0.00 0.00 2.57 0.00 0.00 27.41 30.97 2pzh h HIS 18 CO 0.61 0.26 -0.07 0.00 -3.07 0.00 0.00 177.93 175.66 2pzh h ALA 19 N 1.57 1.11 0.00 6.11 0.00 -1.98 -2.88 119.26 123.19 2pzh h ALA 19 Ca 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2pzh h ALA 19 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pzh h ALA 19 CO -0.34 0.08 -0.16 -0.91 0.00 0.00 0.00 179.25 177.92 2pzh h ASN 20 N 0.00 0.00 -0.35 0.00 -0.26 -1.44 -2.28 115.58 111.25 2pzh h ASN 20 Ca -0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 2pzh h ASN 20 Cb 0.35 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2pzh h ASN 20 CO 0.01 0.16 0.14 1.88 -1.06 0.00 0.00 177.43 178.57 2pzh h TYR 21 N 0.00 0.59 -0.45 1.19 0.05 -1.65 -1.42 116.97 115.27 2pzh h TYR 21 Ca -0.00 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 2pzh h TYR 21 Cb 0.54 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 2pzh h TYR 21 CO 0.00 0.48 0.01 -0.07 -1.05 0.00 0.00 178.16 177.53 2pzh h LEU 22 N 0.58 0.70 -0.15 3.88 4.07 -1.60 -1.84 115.31 120.96 2pzh h LEU 22 Ca 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2pzh h LEU 22 Cb 0.15 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2pzh h LEU 22 CO -0.01 0.76 0.05 0.11 -1.08 0.00 0.00 178.44 178.27 2pzh h LYS 23 N 0.69 0.23 -0.93 1.13 1.57 -1.27 -0.29 116.57 117.70 2pzh h LYS 23 Ca 0.14 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2pzh h LYS 23 Cb 0.41 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 2pzh h LYS 23 CO 0.02 0.36 0.57 1.88 -0.57 0.00 0.00 179.45 181.71 2pzh h TYR 24 N 0.06 1.05 -0.54 -1.35 0.05 -1.15 -0.02 116.97 115.06 2pzh h TYR 24 Ca 0.05 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 2pzh h TYR 24 Cb 0.22 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 2pzh h TYR 24 CO -0.00 0.47 0.07 0.00 -1.05 0.00 0.00 178.16 177.65 2pzh h GLU 26 N 0.80 0.75 -0.74 0.00 4.22 -0.38 -1.97 114.58 117.26 2pzh h GLU 26 Ca 0.16 -0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.61 2pzh h GLU 26 Cb 0.44 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2pzh h GLU 26 CO 0.01 0.52 0.44 0.00 -2.18 0.00 0.00 179.01 177.80 2pzh h ARG 27 N 0.76 0.78 -0.71 1.92 3.08 -0.76 -0.26 114.38 119.19 2pzh h ARG 27 Ca 0.20 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2pzh h ARG 27 Cb -0.06 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 2pzh h ARG 27 CO -0.04 0.51 0.24 0.00 -1.07 0.00 0.00 179.97 179.61 2pzh h ALA 28 N 1.37 0.92 0.30 0.04 0.00 -1.02 0.17 119.26 121.05 2pzh h ALA 28 Ca 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pzh h ALA 28 Cb 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pzh h ALA 28 CO -0.18 0.58 -0.15 0.00 0.00 0.00 0.00 179.25 179.50 2pzh h ARG 29 N 1.03 -0.39 -0.48 0.00 3.08 -0.82 -2.88 114.38 113.91 2pzh h ARG 29 Ca 0.23 0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.19 2pzh h ARG 29 Cb 0.27 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2pzh h ARG 29 CO -0.01 -0.23 -0.15 0.77 -1.07 0.00 0.00 179.97 179.28 2pzh h SER 30 N -0.46 0.94 -0.06 7.04 0.02 -0.87 -2.79 113.55 117.38 2pzh h SER 30 Ca -0.04 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2pzh h SER 30 Cb 0.35 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2pzh h SER 30 CO 0.07 1.08 0.01 -0.08 -1.14 0.00 0.00 176.83 176.77 2pzh h GLU 31 N 0.82 0.16 -0.83 3.45 4.57 -0.72 0.70 114.58 122.73 2pzh h GLU 31 Ca 0.12 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.40 2pzh h GLU 31 Cb 0.70 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.18 2pzh h GLU 31 CO 0.05 0.17 0.45 0.35 -1.18 0.00 0.00 179.01 178.86 2pzh h PHE 32 N 0.16 0.81 0.01 0.92 3.57 -1.26 0.11 116.94 121.26 2pzh h PHE 32 Ca 0.04 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2pzh h PHE 32 Cb 0.10 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2pzh h PHE 32 CO 0.00 0.28 -0.20 0.74 -2.23 0.00 0.00 178.31 176.90 2pzh h PHE 33 N 0.72 0.19 -0.69 0.41 0.04 -1.25 -3.28 116.94 113.08 2pzh h PHE 33 Ca 0.42 -0.11 0.08 0.00 2.80 0.00 0.00 57.97 61.16 2pzh h PHE 33 Cb 0.47 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.53 2pzh h PHE 33 CO -0.07 0.94 0.36 0.74 -0.60 0.00 0.00 178.31 179.68 2pzh h PHE 34 N -0.62 0.65 0.00 -0.55 0.04 -0.48 -0.51 116.94 115.47 2pzh h PHE 34 Ca -0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2pzh h PHE 34 Cb 1.01 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.97 2pzh h PHE 34 CO 0.20 0.27 0.00 1.57 -0.60 0.00 0.00 178.31 179.75 2pzh h LYS 35 N 0.64 0.00 -0.65 1.51 2.10 -0.93 0.21 116.57 119.45 2pzh h LYS 35 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 2pzh h LYS 35 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2pzh h LYS 35 CO -0.23 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.26 2pzh n GLN 36 N -2.92 3.77 -2.71 0.07 6.02 -0.25 -4.95 117.38 116.42 2pzh n GLN 36 Ca 0.00 -2.49 -0.18 0.00 -0.01 0.00 0.00 57.00 54.32 2pzh n GLN 36 Cb 0.25 -1.97 0.02 0.00 1.02 0.00 0.00 30.24 29.55 2pzh n GLN 36 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2pzh n ASN 37 N 0.70 -5.26 -4.13 1.08 4.13 0.72 -5.02 115.26 107.47 2pzh n ASN 37 Ca 0.22 -0.17 -0.11 0.00 1.68 0.00 0.00 54.58 56.20 2pzh n ASN 37 Cb 0.90 -4.18 -0.10 0.00 -1.54 0.00 0.00 39.78 34.86 2pzh n ASN 37 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2pzh s VAL 38 N -3.00 0.63 0.29 2.41 -7.23 -0.89 -5.01 120.40 107.58 2pzh s VAL 38 Ca 0.17 -1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 2pzh s VAL 38 Cb -0.08 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 2pzh s VAL 38 CO 0.21 -0.73 0.73 -0.76 -0.31 0.00 0.00 175.10 174.24 2pzh s LEU 39 N -2.60 4.17 -0.00 1.32 1.43 -1.26 -2.81 118.68 118.92 2pzh s LEU 39 Ca 0.05 1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 54.46 2pzh s LEU 39 Cb 0.01 -3.90 -0.12 0.00 0.03 0.00 0.00 46.19 42.21 2pzh s LEU 39 CO -0.03 -0.12 2.73 -0.81 0.23 0.00 0.00 176.35 178.35 2pzh n PRO 40 N 0.04 1.45 -3.65 1.29 -0.04 -1.26 -4.72 135.00 128.12 2pzh n PRO 40 Ca 0.01 -0.46 -0.06 0.00 -0.04 0.00 0.00 63.50 62.96 2pzh n PRO 40 Cb 0.52 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.44 1.08 0.00 0.54 -1.05 -1.26 -4.20 118.70 114.26 2pzh s GLU 41 Ca 0.30 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2pzh s GLU 41 Cb 0.14 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 2pzh s GLU 41 CO -0.00 -0.49 0.00 0.27 0.95 0.00 0.00 175.26 175.99 2pzh n ASN 42 N -0.39 0.00 0.00 0.83 0.23 -0.66 -5.04 115.26 110.24 2pzh n ASN 42 Ca -0.07 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 2pzh n ASN 42 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 2pzh n ASN 42 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2pzh n GLU 43 N 0.00 0.00 0.00 -3.83 0.00 -1.26 -2.99 120.64 112.56 2pzh n GLU 43 Ca 0.00 0.26 0.07 0.00 0.00 0.00 0.00 57.16 57.49 2pzh n GLU 43 Cb 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 31.44 31.04 2pzh n GLU 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pzh n GLU 44 N -1.54 1.48 -4.17 3.44 4.71 -1.26 -5.00 120.64 118.31 2pzh n GLU 44 Ca 0.00 -1.03 -0.13 0.00 -0.01 0.00 0.00 57.16 55.98 2pzh n GLU 44 Cb 0.00 -1.25 -0.11 0.00 -1.01 0.00 0.00 31.44 29.08 2pzh n GLU 44 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2pzh s GLY 45 N -1.51 0.80 0.05 0.62 0.00 -1.16 0.81 107.32 106.92 2pzh s GLY 45 Ca 0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2pzh s GLY 45 CO 0.28 -1.28 0.05 -1.34 0.00 0.00 0.00 173.10 170.81 2pzh s VAL 46 N -2.67 0.17 0.44 1.40 -7.23 -0.67 -1.65 120.40 110.19 2pzh s VAL 46 Ca 0.06 -1.38 -0.22 0.00 -1.81 0.00 0.00 61.98 58.63 2pzh s VAL 46 Cb -0.01 -1.15 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 2pzh s VAL 46 CO -0.01 -0.76 1.07 -0.36 -0.31 0.00 0.00 175.10 174.73 2pzh s PHE 47 N -3.22 3.08 -0.04 2.82 0.08 -1.26 -1.44 117.98 118.00 2pzh s PHE 47 Ca 0.00 1.60 0.02 0.00 0.12 0.00 0.00 56.93 58.67 2pzh s PHE 47 Cb 0.03 -3.17 0.01 0.00 -0.57 0.00 0.00 43.02 39.32 2pzh s PHE 47 CO -0.07 -0.91 -0.09 0.14 -0.10 0.00 0.00 175.22 174.19 2pzh s VAL 48 N -1.74 0.84 -0.01 -0.44 -7.23 0.21 -4.91 120.40 107.12 2pzh s VAL 48 Ca 0.62 -0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 2pzh s VAL 48 Cb -0.22 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 2pzh s VAL 48 CO 0.27 0.27 0.94 -0.63 -0.31 0.00 0.00 175.10 175.64 2pzh s ILE 49 N 0.37 4.89 -0.20 -0.62 1.01 -1.26 -0.30 121.20 125.09 2pzh s ILE 49 Ca -0.06 1.97 -0.11 0.00 0.00 0.00 0.00 60.65 62.45 2pzh s ILE 49 Cb -0.11 -4.28 -0.20 0.00 0.01 0.00 0.00 42.46 37.88 2pzh s ILE 49 CO 0.01 0.17 0.10 0.54 0.00 0.00 0.00 174.94 175.76 2pzh n ARG 50 N 3.92 0.66 -3.51 2.79 5.12 0.27 -4.92 116.66 120.98 2pzh n ARG 50 Ca 0.05 0.33 -0.16 0.00 -1.93 0.00 0.00 57.85 56.14 2pzh n ARG 50 Cb 0.51 -1.65 -0.05 0.00 -1.16 0.00 0.00 32.46 30.11 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 -6.97 -0.60 -0.01 0.55 1.04 -1.23 -5.01 113.70 101.47 2pzh s SER 51 Ca -0.29 0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.63 2pzh s SER 51 Cb 0.08 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 2pzh s SER 51 CO 0.64 -0.70 -0.08 -0.63 0.98 0.00 0.00 173.24 173.45 2pzh s ILE 52 N -1.92 0.66 -0.18 -1.02 1.01 -1.26 -2.12 121.20 116.38 2pzh s ILE 52 Ca -0.08 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2pzh s ILE 52 Cb -0.00 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 41.92 2pzh s ILE 52 CO 0.03 0.20 -0.14 -0.54 0.00 0.00 0.00 174.94 174.49 2pzh s LYS 53 N -0.03 2.32 0.03 2.79 1.02 0.05 -4.99 119.74 120.93 2pzh s LYS 53 Ca 0.01 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.30 2pzh s LYS 53 Cb -0.05 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2pzh s LYS 53 CO -0.00 -0.31 -0.12 0.00 -0.92 0.00 0.00 175.35 173.99 2pzh s ALA 54 N 1.40 1.03 -0.03 5.17 0.00 -1.26 -0.67 121.76 127.40 2pzh s ALA 54 Ca 0.02 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2pzh s ALA 54 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2pzh s ALA 54 CO -0.10 0.20 -0.22 -0.51 0.00 0.00 0.00 175.76 175.13 2pzh s ASP 55 N -0.93 2.60 -0.13 0.00 1.01 0.50 -5.00 116.67 114.72 2pzh s ASP 55 Ca 0.01 -0.41 -0.03 0.00 0.71 0.00 0.00 52.55 52.83 2pzh s ASP 55 Cb -0.07 -0.49 -0.03 0.00 1.01 0.00 0.00 42.92 43.34 2pzh s ASP 55 CO 0.01 0.24 -0.03 -0.36 0.21 0.00 0.00 175.17 175.23 2pzh s PHE 56 N -0.30 3.04 0.00 4.23 0.40 -1.26 -1.65 117.98 122.44 2pzh s PHE 56 Ca 0.03 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2pzh s PHE 56 Cb -0.10 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2pzh s PHE 56 CO 0.01 0.14 0.00 1.19 0.70 0.00 0.00 175.22 177.25 2pzh n PHE 57 N 3.02 0.00 -1.91 0.36 3.72 -0.38 -4.97 117.46 117.30 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 3.89 2.86 0.36 4.37 2.01 -1.13 -4.91 115.64 123.09 2pzh s THR 58 Ca 0.00 0.44 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 2pzh s THR 58 Cb 0.00 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 2pzh s THR 58 CO 0.00 0.01 1.13 -2.16 -0.69 0.00 0.00 174.62 172.91 2pzh s PRO 59 N 2.14 4.27 0.56 4.92 0.04 -1.26 -4.21 135.00 141.46 2pzh s PRO 59 Ca 0.73 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.49 2pzh s PRO 59 Cb -0.42 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2pzh s PRO 59 CO 0.32 -0.11 0.86 0.00 0.04 0.00 0.00 177.00 178.11 2pzh s ALA 60 N -1.38 3.38 0.25 8.56 0.00 -1.26 -4.96 121.76 126.34 2pzh s ALA 60 Ca 0.53 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2pzh s ALA 60 Cb -0.29 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 2pzh s ALA 60 CO 0.37 -0.68 0.26 -1.13 0.00 0.00 0.00 175.76 174.58 2pzh n SER 61 N -2.47 -0.70 -4.64 0.00 3.41 -1.26 -1.68 113.62 106.28 2pzh n SER 61 Ca 0.04 -2.55 -0.49 0.00 -0.26 0.00 0.00 58.87 55.61 2pzh n SER 61 Cb 0.57 1.48 -0.05 0.00 -0.26 0.00 0.00 64.21 65.95 2pzh n SER 61 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2pzh n LEU 62 N 0.00 2.44 0.00 1.04 7.94 -1.26 -2.21 117.00 124.95 2pzh n LEU 62 Ca 0.04 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 2pzh n LEU 62 Cb 0.44 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.08 2pzh n LEU 62 CO 0.23 -0.62 0.00 0.61 -1.11 0.00 0.00 177.39 176.49 2pzh n GLY 63 N 3.06 1.58 3.79 -3.96 0.00 0.10 -4.77 105.19 104.99 2pzh n GLY 63 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.20 3.24 -0.24 1.61 -0.21 -0.94 -2.67 119.66 120.25 2pzh s GLN 64 Ca 0.00 1.33 -0.10 0.00 0.02 0.00 0.00 55.36 56.61 2pzh s GLN 64 Cb 0.00 -2.01 -0.05 0.00 1.00 0.00 0.00 33.01 31.95 2pzh s GLN 64 CO 0.00 -0.89 0.14 0.08 -2.12 0.00 0.00 175.29 172.50 2pzh s VAL 65 N -2.27 5.23 0.11 1.09 1.01 -0.22 -1.40 120.40 123.96 2pzh s VAL 65 Ca 0.66 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2pzh s VAL 65 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2pzh s VAL 65 CO 0.35 0.35 0.12 -0.76 0.00 0.00 0.00 175.10 175.16 2pzh s LEU 66 N 1.04 3.86 -0.14 3.92 1.43 0.95 -1.47 118.68 128.28 2pzh s LEU 66 Ca 0.07 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2pzh s LEU 66 Cb -0.14 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.59 2pzh s LEU 66 CO 0.04 0.13 -0.17 -0.70 0.23 0.00 0.00 176.35 175.89 2pzh s GLU 67 N -2.66 2.50 -0.27 1.70 2.12 0.87 -1.20 118.70 121.77 2pzh s GLU 67 Ca 0.30 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 54.89 2pzh s GLU 67 Cb -0.11 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 2pzh s GLU 67 CO 0.23 -0.13 0.13 0.42 -0.54 0.00 0.00 175.26 175.37 2pzh s ILE 68 N 1.15 4.76 -0.17 -3.70 1.09 0.10 -0.99 121.20 123.46 2pzh s ILE 68 Ca -0.01 -0.03 -0.04 0.00 -1.10 0.00 0.00 60.65 59.47 2pzh s ILE 68 Cb -0.14 -3.26 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 2pzh s ILE 68 CO -0.06 0.29 -0.03 -0.13 -0.10 0.00 0.00 174.94 174.91 2pzh s ARG 69 N 1.68 3.66 -0.10 2.79 0.52 0.00 -1.68 118.95 125.82 2pzh s ARG 69 Ca 0.07 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 2pzh s ARG 69 Cb -0.16 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.35 2pzh s ARG 69 CO 0.07 0.18 -0.22 0.99 0.02 0.00 0.00 175.30 176.34 2pzh s THR 70 N 0.53 1.93 0.12 0.02 2.01 -1.26 -1.56 115.64 117.44 2pzh s THR 70 Ca -0.02 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.10 2pzh s THR 70 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2pzh s THR 70 CO 0.02 0.53 -0.14 0.00 -0.69 0.00 0.00 174.62 174.34 2pzh s GLN 71 N 0.45 1.03 -0.40 4.92 -2.07 0.01 -5.01 119.66 118.59 2pzh s GLN 71 Ca -0.17 -1.24 -0.23 0.00 -1.82 0.00 0.00 55.36 51.90 2pzh s GLN 71 Cb -0.17 -0.92 0.02 0.00 -1.09 0.00 0.00 33.01 30.84 2pzh s GLN 71 CO 0.07 0.18 0.79 0.42 -1.32 0.00 0.00 175.29 175.43 2pzh s ILE 72 N -2.11 4.69 -0.01 3.63 1.01 -1.26 -0.88 121.20 126.27 2pzh s ILE 72 Ca 0.09 0.74 -0.18 0.00 0.00 0.00 0.00 60.65 61.30 2pzh s ILE 72 Cb -0.05 -4.26 -0.34 0.00 0.01 0.00 0.00 42.46 37.83 2pzh s ILE 72 CO 0.03 -0.54 0.92 0.50 0.00 0.00 0.00 174.94 175.85 2pzh h LYS 73 N 8.67 0.44 -2.77 2.79 3.64 -1.15 -3.47 116.57 124.72 2pzh h LYS 73 Ca -0.25 -0.75 -0.13 0.00 -1.27 0.00 0.00 60.65 58.25 2pzh h LYS 73 Cb 1.09 0.28 -0.25 0.00 -0.41 0.00 0.00 32.23 32.94 2pzh h LYS 73 CO 0.93 1.36 -0.29 -2.00 -2.27 0.00 0.00 179.45 177.18 2pzh s GLU 74 N -2.53 0.42 -0.14 1.90 2.12 -0.94 -4.96 118.70 114.56 2pzh s GLU 74 Ca -0.12 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 55.82 2pzh s GLU 74 Cb 0.03 0.12 0.04 0.00 0.26 0.00 0.00 34.13 34.58 2pzh s GLU 74 CO 0.89 -0.09 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.31 2pzh s LEU 75 N 0.63 1.34 0.47 2.70 2.96 -1.26 0.69 118.68 126.21 2pzh s LEU 75 Ca -0.03 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2pzh s LEU 75 Cb -0.05 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.80 2pzh s LEU 75 CO -0.04 -0.18 0.03 -0.13 -1.32 0.00 0.00 176.35 174.70 2pzh s ARG 76 N 1.71 2.09 0.29 1.98 1.81 0.43 -5.02 118.95 122.24 2pzh s ARG 76 Ca 0.02 -2.29 0.03 0.00 -1.72 0.00 0.00 55.73 51.77 2pzh s ARG 76 Cb -0.14 -1.38 0.65 0.00 -0.45 0.00 0.00 34.95 33.63 2pzh s ARG 76 CO -0.08 -0.31 1.78 -0.22 -0.68 0.00 0.00 175.30 175.79 2pzh h LYS 77 N 1.53 0.75 -0.00 3.54 3.64 -2.00 -3.22 116.57 120.82 2pzh h LYS 77 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2pzh h LYS 77 Cb 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2pzh h LYS 77 CO 0.73 0.50 -0.03 0.28 -2.27 0.00 0.00 179.45 178.65 2pzh n VAL 78 N -4.76 0.00 -3.83 2.00 0.31 -1.26 -1.19 118.33 109.60 2pzh n VAL 78 Ca 0.21 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.96 2pzh n VAL 78 Cb 0.49 1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 34.40 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 -0.54 0.13 -0.02 3.52 -0.12 -1.22 -3.79 117.98 115.94 2pzh s PHE 79 Ca 0.02 -0.50 -0.01 0.00 -0.05 0.00 0.00 56.93 56.40 2pzh s PHE 79 Cb 0.02 0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 2pzh s PHE 79 CO 0.05 -0.71 0.04 0.54 -0.05 0.00 0.00 175.22 175.09 2pzh s VAL 80 N -3.89 -0.02 -0.17 -2.49 0.11 -0.79 -0.43 120.40 112.72 2pzh s VAL 80 Ca 0.10 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.21 2pzh s VAL 80 Cb 0.03 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.79 2pzh s VAL 80 CO -0.05 0.03 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.97 2pzh s VAL 81 N 0.43 3.23 -0.07 2.04 1.01 0.22 -0.97 120.40 126.28 2pzh s VAL 81 Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2pzh s VAL 81 Cb -0.05 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2pzh s VAL 81 CO -0.01 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 174.69 2pzh s LEU 82 N 0.81 2.88 -0.17 3.92 1.43 -0.27 -0.53 118.68 126.74 2pzh s LEU 82 Ca -0.03 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2pzh s LEU 82 Cb -0.15 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 2pzh s LEU 82 CO 0.01 0.32 -0.03 0.12 0.23 0.00 0.00 176.35 177.01 2pzh s PHE 83 N -0.59 3.02 -0.01 0.29 5.36 -0.06 -1.32 117.98 124.67 2pzh s PHE 83 Ca 0.09 -0.40 0.04 0.00 -0.96 0.00 0.00 56.93 55.69 2pzh s PHE 83 Cb -0.11 -2.01 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2pzh s PHE 83 CO 0.01 -0.14 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.84 2pzh s GLN 84 N 0.65 1.17 0.00 10.12 -0.21 0.35 -0.81 119.66 130.93 2pzh s GLN 84 Ca -0.02 -0.49 0.04 0.00 0.02 0.00 0.00 55.36 54.91 2pzh s GLN 84 Cb -0.14 -1.11 -0.01 0.00 1.00 0.00 0.00 33.01 32.74 2pzh s GLN 84 CO 0.02 0.28 -0.14 -1.21 -2.12 0.00 0.00 175.29 172.13 2pzh s GLU 85 N -0.25 1.06 -0.13 2.91 2.02 -0.60 -0.58 118.70 123.12 2pzh s GLU 85 Ca 0.04 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.48 2pzh s GLU 85 Cb -0.06 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.12 2pzh s GLU 85 CO -0.00 0.28 -0.10 0.42 0.02 0.00 0.00 175.26 175.87 2pzh s ILE 86 N -0.43 3.31 0.03 -1.63 1.01 0.59 -0.82 121.20 123.26 2pzh s ILE 86 Ca 0.04 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2pzh s ILE 86 Cb -0.06 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2pzh s ILE 86 CO -0.00 0.52 -0.22 -0.31 0.00 0.00 0.00 174.94 174.93 2pzh s TYR 87 N 0.22 2.45 -0.15 3.97 1.51 -0.16 -0.41 117.35 124.78 2pzh s TYR 87 Ca -0.07 -0.33 -0.19 0.00 -1.01 0.00 0.00 57.07 55.47 2pzh s TYR 87 Cb -0.15 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 2pzh s TYR 87 CO 0.04 0.16 0.54 0.00 -1.11 0.00 0.00 175.55 175.18 2pzh n ILE 89 N 4.13 0.03 -3.73 0.00 -5.35 -0.55 -1.71 119.36 112.19 2pzh n ILE 89 Ca -0.05 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.20 2pzh n ILE 89 Cb 0.51 0.24 -0.09 0.00 -1.74 0.00 0.00 39.64 38.55 2pzh n ILE 89 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2pzh s GLN 90 N -2.26 0.58 0.46 6.28 0.74 -1.22 -4.73 119.66 119.52 2pzh s GLN 90 Ca -0.02 0.29 -0.07 0.00 0.05 0.00 0.00 55.36 55.62 2pzh s GLN 90 Cb 0.02 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 2pzh s GLN 90 CO 0.17 -0.12 0.78 -0.80 -0.55 0.00 0.00 175.29 174.77 2pzh s ASN 91 N -0.39 6.32 0.29 6.67 0.02 -1.26 -1.05 114.94 125.53 2pzh s ASN 91 Ca -0.05 0.98 0.01 0.00 -1.02 0.00 0.00 52.86 52.78 2pzh s ASN 91 Cb -0.03 -2.27 0.43 0.00 0.02 0.00 0.00 41.25 39.40 2pzh s ASN 91 CO 0.02 -0.54 1.79 0.00 0.02 0.00 0.00 177.10 178.40 2pzh h ALA 92 N 0.48 1.19 0.00 0.60 0.00 -1.81 -2.78 119.26 116.95 2pzh h ALA 92 Ca -0.47 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2pzh h ALA 92 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pzh h ALA 92 CO 0.62 0.53 0.00 0.66 0.00 0.00 0.00 179.25 181.06 2pzh h SER 93 N 0.62 0.00 0.00 0.00 4.64 -1.95 -3.47 113.55 113.40 2pzh h SER 93 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2pzh h SER 93 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2pzh h SER 93 CO 0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 2pzh n LEU 94 N -2.73 0.00 -4.66 5.97 4.77 -1.05 -4.99 117.00 114.31 2pzh n LEU 94 Ca 0.01 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.51 2pzh n LEU 94 Cb 0.25 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2pzh n LEU 94 CO 0.23 0.00 1.24 1.21 -1.33 0.00 0.00 177.39 178.74 2pzh n GLU 95 N -2.00 1.98 -1.55 3.23 2.13 -1.26 -4.87 120.64 118.30 2pzh n GLU 95 Ca 0.00 0.72 -0.39 0.00 0.66 0.00 0.00 57.16 58.15 2pzh n GLU 95 Cb 0.00 -2.49 0.03 0.00 0.27 0.00 0.00 31.44 29.26 2pzh n GLU 95 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2pzh n PRO 96 N 4.23 0.83 -3.59 5.31 -0.02 -1.26 -4.54 135.00 135.96 2pzh n PRO 96 Ca 0.19 0.31 -0.16 0.00 -2.02 0.00 0.00 63.50 61.82 2pzh n PRO 96 Cb 0.27 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 2pzh n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pzh s MET 97 N -2.27 0.93 0.01 -0.52 0.23 -1.26 -5.06 119.30 111.36 2pzh s MET 97 Ca 0.70 0.56 -0.30 0.00 -1.03 0.00 0.00 55.69 55.62 2pzh s MET 97 Cb -0.47 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.22 2pzh s MET 97 CO 0.53 -0.22 1.30 0.21 -2.03 0.00 0.00 175.02 174.80 2pzh s LYS 98 N -0.48 4.34 0.56 3.16 2.47 -1.26 -4.93 119.74 123.60 2pzh s LYS 98 Ca -0.06 1.85 -0.19 0.00 -1.56 0.00 0.00 55.97 56.00 2pzh s LYS 98 Cb -0.02 -3.48 -0.07 0.00 -1.46 0.00 0.00 37.83 32.79 2pzh s LYS 98 CO 0.06 -0.45 0.86 -2.30 0.16 0.00 0.00 175.35 173.67 2pzh n PRO 99 N 4.85 0.87 -3.95 4.03 -0.02 -1.26 -4.98 135.00 134.54 2pzh n PRO 99 Ca 0.11 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.83 2pzh n PRO 99 Cb 0.45 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.52 0.20 0.22 6.00 -0.12 -0.69 -4.96 117.98 117.10 2pzh s PHE 100 Ca 0.72 -0.40 -0.30 0.00 -0.05 0.00 0.00 56.93 56.90 2pzh s PHE 100 Cb -0.45 -0.14 -0.09 0.00 -0.63 0.00 0.00 43.02 41.71 2pzh s PHE 100 CO 0.51 -0.16 1.20 0.21 -0.05 0.00 0.00 175.22 176.93 2pzh s LYS 101 N -1.15 4.50 -0.06 1.99 2.20 -1.26 -0.98 119.74 124.98 2pzh s LYS 101 Ca -0.13 1.91 0.04 0.00 -0.36 0.00 0.00 55.97 57.43 2pzh s LYS 101 Cb -0.08 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 2pzh s LYS 101 CO -0.01 -0.05 0.00 0.28 -0.36 0.00 0.00 175.35 175.22 2pzh n VAL 102 N 2.07 0.39 -3.57 4.02 0.31 0.46 -2.83 118.33 119.17 2pzh n VAL 102 Ca 0.03 -0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.01 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 -0.47 -0.03 3.52 5.36 -1.17 -1.24 117.98 121.81 2pzh s PHE 103 Ca -0.04 0.88 -0.06 0.00 -0.96 0.00 0.00 56.93 56.75 2pzh s PHE 103 Cb 0.02 0.42 0.01 0.00 -0.34 0.00 0.00 43.02 43.13 2pzh s PHE 103 CO 0.22 -0.39 0.14 0.00 -1.46 0.00 0.00 175.22 173.72 2pzh s ALA 104 N -0.88 -0.34 -0.03 11.12 0.00 -0.66 -0.30 121.76 130.67 2pzh s ALA 104 Ca -0.03 0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 2pzh s ALA 104 Cb -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2pzh s ALA 104 CO 0.03 -0.14 0.20 -1.54 0.00 0.00 0.00 175.76 174.31 2pzh s SER 105 N -0.62 -0.11 -0.16 0.00 1.04 0.25 -0.37 113.70 113.73 2pzh s SER 105 Ca -0.07 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.48 2pzh s SER 105 Cb -0.04 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.41 2pzh s SER 105 CO 0.01 -0.26 -0.20 -0.70 0.98 0.00 0.00 173.24 173.07 2pzh s GLU 106 N -0.76 2.92 -0.05 4.02 2.12 0.16 -0.50 118.70 126.61 2pzh s GLU 106 Ca -0.08 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.47 2pzh s GLU 106 Cb -0.05 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 31.88 2pzh s GLU 106 CO 0.01 -0.15 -0.13 0.42 -0.54 0.00 0.00 175.26 174.88 2pzh s ILE 107 N 1.16 1.11 -0.17 -3.70 1.01 -0.43 -0.77 121.20 119.41 2pzh s ILE 107 Ca 0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 2pzh s ILE 107 Cb -0.14 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2pzh s ILE 107 CO -0.09 0.34 0.06 -0.75 0.00 0.00 0.00 174.94 174.50 2pzh s LYS 108 N 0.31 3.90 -0.06 2.79 2.20 -0.90 -1.12 119.74 126.87 2pzh s LYS 108 Ca -0.07 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 2pzh s LYS 108 Cb -0.12 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2pzh s LYS 108 CO 0.02 0.32 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.07 2pzh s PHE 109 N 0.23 2.55 0.53 4.03 0.08 -0.15 -0.56 117.98 124.68 2pzh s PHE 109 Ca 0.04 -0.49 0.09 0.00 0.12 0.00 0.00 56.93 56.69 2pzh s PHE 109 Cb -0.12 -1.62 0.06 0.00 -0.57 0.00 0.00 43.02 40.76 2pzh s PHE 109 CO 0.00 -0.06 0.72 0.20 -0.10 0.00 0.00 175.22 175.99 2pzh s GLY 110 N -0.35 1.81 -0.10 4.36 0.00 0.59 -1.89 107.32 111.74 2pzh s GLY 110 Ca 0.03 -1.95 0.01 0.00 0.00 0.00 0.00 44.72 42.81 2pzh s GLY 110 CO 0.02 -1.58 -0.13 -0.12 0.00 0.00 0.00 173.10 171.28 2pzh s PHE 111 N -2.58 1.81 0.11 1.90 5.36 -1.25 -0.62 117.98 122.72 2pzh s PHE 111 Ca 0.60 -0.84 0.05 0.00 -0.96 0.00 0.00 56.93 55.77 2pzh s PHE 111 Cb -0.07 -1.34 -0.04 0.00 -0.34 0.00 0.00 43.02 41.23 2pzh s PHE 111 CO 0.37 -0.46 -0.12 0.14 -1.46 0.00 0.00 175.22 173.70 2pzh s VAL 112 N 1.08 1.13 0.24 3.12 -7.23 -0.52 -0.76 120.40 117.46 2pzh s VAL 112 Ca -0.05 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 2pzh s VAL 112 Cb -0.15 -1.50 -0.10 0.00 0.56 0.00 0.00 36.38 35.19 2pzh s VAL 112 CO -0.02 -0.53 1.43 0.20 -0.31 0.00 0.00 175.10 175.87 2pzh s ASN 113 N -2.56 6.67 0.14 4.85 0.01 -0.44 -1.68 114.94 121.93 2pzh s ASN 113 Ca 0.09 2.64 -0.18 0.00 -0.71 0.00 0.00 52.86 54.70 2pzh s ASN 113 Cb -0.03 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.03 2pzh s ASN 113 CO 0.01 -0.69 1.72 0.03 -1.51 0.00 0.00 177.10 176.66 2pzh h ARG 114 N 5.12 0.09 -0.13 -0.60 3.08 0.05 0.70 114.38 122.69 2pzh h ARG 114 Ca -0.46 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.42 2pzh h ARG 114 Cb 1.22 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.25 2pzh h ARG 114 CO 0.78 0.06 -0.59 0.77 -1.07 0.00 0.00 179.97 179.93 2pzh h SER 115 N 0.10 0.75 0.14 7.04 0.02 -1.92 -3.34 113.55 116.34 2pzh h SER 115 Ca 0.13 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2pzh h SER 115 Cb 0.16 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2pzh h SER 115 CO -0.21 1.25 -1.63 0.35 -1.14 0.00 0.00 176.83 175.45 2pzh n THR 116 N -4.13 0.08 -1.54 -2.27 -2.24 -1.22 -4.97 114.28 97.98 2pzh n THR 116 Ca -0.08 -0.40 -0.19 0.00 -2.27 0.00 0.00 64.05 61.12 2pzh n THR 116 Cb 0.64 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.95 2pzh n THR 116 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pzh n TYR 117 N -2.14 -0.00 -2.40 4.78 4.02 0.24 -4.97 117.16 116.68 2pzh n TYR 117 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 2pzh n TYR 117 Cb 0.51 -3.33 -0.03 0.00 -0.02 0.00 0.00 39.34 36.47 2pzh n TYR 117 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2pzh s SER 118 N -2.69 7.04 0.17 7.72 0.01 -1.25 -4.73 113.70 119.96 2pzh s SER 118 Ca 0.00 1.98 -0.32 0.00 1.31 0.00 0.00 55.95 58.93 2pzh s SER 118 Cb 0.00 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 2pzh s SER 118 CO 0.00 -0.54 1.61 -2.16 0.41 0.00 0.00 173.24 172.56 2pzh s PRO 119 N 1.53 4.19 0.34 12.44 0.04 -1.26 -1.33 135.00 150.95 2pzh s PRO 119 Ca 0.59 2.42 0.03 0.00 0.04 0.00 0.00 61.00 64.08 2pzh s PRO 119 Cb -0.29 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 2pzh s PRO 119 CO 0.27 -0.65 0.07 0.96 0.04 0.00 0.00 177.00 177.69 2pzh s ILE 120 N 1.22 1.03 0.48 0.56 -4.36 0.06 -4.93 121.20 115.26 2pzh s ILE 120 Ca 0.71 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.87 2pzh s ILE 120 Cb -0.45 -2.70 -0.07 0.00 1.25 0.00 0.00 42.46 40.50 2pzh s ILE 120 CO 0.31 0.00 1.30 0.00 0.24 0.00 0.00 174.94 176.79 2pzh s ALA 121 N -3.32 3.02 0.06 2.27 0.00 -1.26 -4.34 121.76 118.19 2pzh s ALA 121 Ca 0.34 1.21 -0.33 0.00 0.00 0.00 0.00 51.96 53.18 2pzh s ALA 121 Cb 0.08 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 2pzh s ALA 121 CO 0.15 -1.01 1.75 -0.89 0.00 0.00 0.00 175.76 175.76 2pzh n ILE 122 N -0.49 0.30 -1.58 0.00 5.41 -0.33 -4.89 119.36 117.78 2pzh n ILE 122 Ca 0.07 -0.05 -0.38 0.00 1.00 0.00 0.00 62.75 63.39 2pzh n ILE 122 Cb 0.45 -1.81 0.04 0.00 -0.71 0.00 0.00 39.64 37.61 2pzh n ILE 122 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2pzh n PRO 123 N 5.15 0.87 -0.20 0.38 -0.02 -1.26 -4.62 135.00 135.31 2pzh n PRO 123 Ca 0.19 0.33 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 2pzh n PRO 123 Cb 0.31 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 31.80 2pzh n PRO 123 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2pzh h LYS 124 N 0.56 0.03 -0.60 -0.52 3.64 -1.99 -1.02 116.57 116.67 2pzh h LYS 124 Ca -0.47 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 2pzh h LYS 124 Cb 1.37 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 33.06 2pzh h LYS 124 CO 0.51 0.02 -0.27 1.25 -2.27 0.00 0.00 179.45 178.69 2pzh h LEU 125 N 0.03 -0.94 -0.18 5.20 6.46 -2.00 0.59 115.31 124.48 2pzh h LEU 125 Ca 0.29 0.21 -0.22 0.00 -0.12 0.00 0.00 57.88 58.04 2pzh h LEU 125 Cb 0.46 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 2pzh h LEU 125 CO -0.58 -0.27 -0.95 -0.26 -0.62 0.00 0.00 178.44 175.76 2pzh h PHE 126 N -0.11 0.56 -0.19 1.25 0.04 -1.68 -2.66 116.94 114.16 2pzh h PHE 126 Ca 0.26 -0.31 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2pzh h PHE 126 Cb 0.53 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2pzh h PHE 126 CO -0.59 1.13 0.10 -0.22 -0.60 0.00 0.00 178.31 178.14 2pzh h LYS 127 N 0.21 0.26 -0.27 1.51 1.63 -0.57 -0.43 116.57 118.91 2pzh h LYS 127 Ca -0.08 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 2pzh h LYS 127 Cb 1.58 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 33.12 2pzh h LYS 127 CO 0.16 0.26 -0.01 0.93 -3.45 0.00 0.00 179.45 177.34 2pzh h GLU 128 N 0.20 0.07 -0.65 1.90 5.08 -0.90 -0.11 114.58 120.17 2pzh h GLU 128 Ca 0.07 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2pzh h GLU 128 Cb 0.07 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2pzh h GLU 128 CO -0.01 0.04 0.39 -0.07 -1.00 0.00 0.00 179.01 178.37 2pzh h LEU 129 N 0.07 0.63 -1.23 1.33 3.38 -1.33 -1.96 115.31 116.20 2pzh h LEU 129 Ca 0.13 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2pzh h LEU 129 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2pzh h LEU 129 CO -0.23 0.43 -0.39 -0.07 0.09 0.00 0.00 178.44 178.28 2pzh h LEU 130 N 0.76 0.00 -0.32 1.67 3.38 -0.58 -2.87 115.31 117.35 2pzh h LEU 130 Ca 0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2pzh h LEU 130 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2pzh h LEU 130 CO -0.13 0.39 -0.10 0.78 0.09 0.00 0.00 178.44 179.47 2pzh h ASN 131 N 0.00 0.64 0.00 -0.43 2.35 -0.45 -3.50 115.58 114.19 2pzh h ASN 131 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2pzh h ASN 131 Cb 0.68 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2pzh h ASN 131 CO 0.05 0.87 0.00 0.00 -1.65 0.00 0.00 177.43 176.70