#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p44 n GLU 2 N 0.00 1.86 -1.96 -1.58 2.13 -1.26 -4.97 120.64 114.86 2p44 n GLU 2 Ca 0.00 0.67 -0.31 0.00 0.66 0.00 0.00 57.16 58.17 2p44 n GLU 2 Cb 0.00 -2.32 0.01 0.00 0.27 0.00 0.00 31.44 29.39 2p44 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2p44 s THR 3 N 0.17 4.50 0.27 6.31 -4.23 -1.26 -4.93 115.64 116.47 2p44 s THR 3 Ca 0.72 0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 62.13 2p44 s THR 3 Cb -0.71 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 69.67 2p44 s THR 3 CO 0.47 -0.95 1.93 0.00 -0.54 0.00 0.00 174.62 175.53 2p44 h ALA 4 N -0.03 1.37 -0.33 3.99 0.00 -1.97 -1.75 119.26 120.54 2p44 h ALA 4 Ca -0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2p44 h ALA 4 Cb 1.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2p44 h ALA 4 CO 0.61 0.54 0.10 0.00 0.00 0.00 0.00 179.25 180.50 2p44 h ALA 5 N 1.44 0.44 -0.66 0.00 0.00 -1.92 -2.31 119.26 116.25 2p44 h ALA 5 Ca 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2p44 h ALA 5 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2p44 h ALA 5 CO -0.11 0.08 0.33 0.00 0.00 0.00 0.00 179.25 179.56 2p44 h ALA 6 N 0.94 1.34 -0.40 0.00 0.00 -1.83 -2.48 119.26 116.83 2p44 h ALA 6 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2p44 h ALA 6 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2p44 h ALA 6 CO -0.00 0.52 0.04 -0.22 0.00 0.00 0.00 179.25 179.59 2p44 h LYS 7 N 0.93 0.68 -0.60 0.00 3.64 -1.07 -0.31 116.57 119.84 2p44 h LYS 7 Ca 0.23 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2p44 h LYS 7 Cb 0.07 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2p44 h LYS 7 CO -0.03 0.75 0.34 0.35 -2.27 0.00 0.00 179.45 178.58 2p44 h PHE 8 N 0.52 0.62 -0.66 1.91 3.57 -1.18 0.16 116.94 121.87 2p44 h PHE 8 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 2p44 h PHE 8 Cb 0.42 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2p44 h PHE 8 CO 0.03 0.32 0.22 0.93 -2.23 0.00 0.00 178.31 177.58 2p44 h GLU 9 N 0.64 1.02 -0.55 1.11 5.08 -1.13 -0.10 114.58 120.65 2p44 h GLU 9 Ca 0.26 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2p44 h GLU 9 Cb 0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2p44 h GLU 9 CO -0.15 0.88 0.07 -0.09 -1.00 0.00 0.00 179.01 178.72 2p44 h ARG 10 N 0.96 0.92 0.05 2.33 2.43 -0.52 -1.79 114.38 118.76 2p44 h ARG 10 Ca 0.22 -0.26 -0.23 0.00 -0.81 0.00 0.00 59.98 58.89 2p44 h ARG 10 Cb 0.27 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2p44 h ARG 10 CO -0.01 0.90 -1.06 1.96 -1.51 0.00 0.00 179.97 180.25 2p44 h GLN 11 N 0.81 0.19 0.00 0.20 4.20 -0.56 -3.43 115.11 116.53 2p44 h GLN 11 Ca 0.16 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2p44 h GLN 11 Cb 0.44 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2p44 h GLN 11 CO 0.02 1.08 -0.22 0.72 -0.67 0.00 0.00 178.83 179.75 2p44 n HIS 12 N -3.54 0.00 -3.42 2.96 8.25 -0.06 -4.76 115.22 114.65 2p44 n HIS 12 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 2p44 n HIS 12 Cb 0.93 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.94 2p44 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2p44 s MET 13 N -0.65 3.59 -0.48 -0.41 -1.94 -0.68 -0.50 119.30 118.23 2p44 s MET 13 Ca 0.00 -0.42 0.06 0.00 -1.71 0.00 0.00 55.69 53.62 2p44 s MET 13 Cb 0.00 -3.79 0.21 0.00 2.01 0.00 0.00 34.83 33.26 2p44 s MET 13 CO 0.00 -0.50 0.50 -3.47 -0.01 0.00 0.00 175.02 171.54 2p44 n ASP 14 N 5.34 0.93 -4.76 3.03 2.03 -1.03 -4.77 116.55 117.33 2p44 n ASP 14 Ca -0.10 -2.78 -0.37 0.00 0.52 0.00 0.00 54.79 52.06 2p44 n ASP 14 Cb 0.49 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.27 2p44 n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2p44 s SER 15 N -1.05 5.71 0.22 1.67 0.01 -1.25 -4.30 113.70 114.71 2p44 s SER 15 Ca 0.34 2.41 -0.31 0.00 1.31 0.00 0.00 55.95 59.70 2p44 s SER 15 Cb 0.10 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.62 2p44 s SER 15 CO -0.13 -1.24 1.57 -0.44 0.41 0.00 0.00 173.24 173.40 2p44 s SER 16 N -1.37 6.53 0.00 2.44 0.01 -1.26 -5.03 113.70 115.02 2p44 s SER 16 Ca 0.69 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.69 2p44 s SER 16 Cb -0.31 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.31 2p44 s SER 16 CO 0.36 -0.84 0.00 0.35 0.41 0.00 0.00 173.24 173.53 2p44 n THR 17 N 3.21 0.00 0.00 1.44 -2.24 -1.26 -5.11 114.28 110.32 2p44 n THR 17 Ca 0.11 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2p44 n THR 17 Cb 0.38 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2p44 n THR 17 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2p44 n SER 23 N -0.17 0.00 -0.61 3.42 7.64 -1.26 -5.34 113.62 117.30 2p44 n SER 23 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 2p44 n SER 23 Cb 0.00 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.55 2p44 n SER 23 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2p44 n ASN 24 N -1.88 1.84 -0.20 6.43 5.15 -1.26 -4.43 115.26 120.91 2p44 n ASN 24 Ca 0.00 -1.75 -0.04 0.00 -0.60 0.00 0.00 54.58 52.19 2p44 n ASN 24 Cb 0.00 -0.12 0.02 0.00 -0.53 0.00 0.00 39.78 39.15 2p44 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2p44 h TYR 25 N 2.41 -0.78 -0.20 1.20 3.20 -1.98 -2.86 116.97 117.97 2p44 h TYR 25 Ca 0.00 0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2p44 h TYR 25 Cb 0.53 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2p44 h TYR 25 CO 0.12 -0.36 -0.52 0.00 -1.64 0.00 0.00 178.16 175.77 2p44 h ASN 27 N 0.43 0.35 -0.76 0.00 2.35 -1.76 -1.05 115.58 115.14 2p44 h ASN 27 Ca 0.02 -0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.81 2p44 h ASN 27 Cb 1.05 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 39.27 2p44 h ASN 27 CO 0.10 0.28 0.43 -0.61 -1.65 0.00 0.00 177.43 175.98 2p44 h GLN 28 N 0.38 0.74 0.02 0.81 5.75 -1.35 -3.32 115.11 118.14 2p44 h GLN 28 Ca 0.11 -0.04 -0.29 0.00 -0.15 0.00 0.00 58.65 58.27 2p44 h GLN 28 Cb -0.01 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.33 2p44 h GLN 28 CO -0.02 0.49 -1.67 0.52 -2.65 0.00 0.00 178.83 175.50 2p44 h MET 29 N 0.77 0.03 -0.04 1.69 2.86 -0.98 -3.32 114.93 115.93 2p44 h MET 29 Ca 0.35 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2p44 h MET 29 Cb 0.25 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2p44 h MET 29 CO -0.21 0.62 -0.19 0.52 1.06 0.00 0.00 176.91 178.71 2p44 h MET 30 N 0.01 0.06 -0.01 1.72 2.86 -1.30 -3.18 114.93 115.10 2p44 h MET 30 Ca -0.27 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.28 2p44 h MET 30 Cb 2.00 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.65 2p44 h MET 30 CO 0.09 0.26 -0.26 0.87 1.06 0.00 0.00 176.91 178.92 2p44 h LYS 31 N 0.06 0.19 -1.03 1.72 1.57 -1.69 -2.25 116.57 115.14 2p44 h LYS 31 Ca 0.01 -0.20 0.26 0.00 -1.87 0.00 0.00 60.65 58.86 2p44 h LYS 31 Cb 0.38 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.63 2p44 h LYS 31 CO 0.03 0.92 0.63 0.77 -0.57 0.00 0.00 179.45 181.23 2p44 h SER 32 N -0.46 0.56 -0.49 0.86 0.02 -1.65 -2.50 113.55 109.89 2p44 h SER 32 Ca -0.03 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2p44 h SER 32 Cb 1.01 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2p44 h SER 32 CO 0.05 0.08 0.00 0.54 -1.14 0.00 0.00 176.83 176.37 2p44 n ARG 33 N -4.77 3.58 -3.44 3.45 5.12 -1.22 -4.88 116.66 114.50 2p44 n ARG 33 Ca 0.27 -2.37 -0.24 0.00 -1.93 0.00 0.00 57.85 53.58 2p44 n ARG 33 Cb 0.83 -1.92 0.05 0.00 -1.16 0.00 0.00 32.46 30.26 2p44 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2p44 n ASN 34 N 0.70 -5.99 -0.00 0.55 3.02 -0.94 -4.82 115.26 107.78 2p44 n ASN 34 Ca 0.21 -0.48 0.08 0.00 -0.03 0.00 0.00 54.58 54.36 2p44 n ASN 34 Cb 0.85 -4.77 -0.10 0.00 -0.61 0.00 0.00 39.78 35.16 2p44 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2p44 n LEU 35 N -4.60 0.61 -0.18 3.41 4.77 -0.97 -4.26 117.00 115.78 2p44 n LEU 35 Ca -0.03 -0.40 0.02 0.00 -0.03 0.00 0.00 56.01 55.57 2p44 n LEU 35 Cb 0.57 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.71 2p44 n LEU 35 CO 0.60 0.15 0.54 0.35 -1.33 0.00 0.00 177.39 177.70 2p44 n THR 36 N -1.52 1.03 -0.04 -5.08 -2.24 -0.89 -2.70 114.28 102.85 2p44 n THR 36 Ca 0.02 -1.04 -0.15 0.00 -2.27 0.00 0.00 64.05 60.62 2p44 n THR 36 Cb 0.29 0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 2p44 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2p44 h LYS 37 N 0.57 0.36 0.00 -0.78 3.64 -1.85 -3.37 116.57 115.13 2p44 h LYS 37 Ca 0.00 -0.26 -0.23 0.00 -1.27 0.00 0.00 60.65 58.89 2p44 h LYS 37 Cb 0.58 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 2p44 h LYS 37 CO 0.00 0.88 -2.02 -0.25 -2.27 0.00 0.00 179.45 175.80 2p44 n ASP 38 N -4.44 1.09 -3.71 4.20 8.00 -1.26 -5.06 116.55 115.37 2p44 n ASP 38 Ca -0.08 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.34 2p44 n ASP 38 Cb 0.48 1.09 -0.02 0.00 -0.02 0.00 0.00 41.12 42.64 2p44 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p44 s ARG 39 N -2.56 1.52 -0.57 -1.24 1.70 -1.26 -5.08 118.95 111.46 2p44 s ARG 39 Ca -0.07 -0.77 -0.25 0.00 -0.47 0.00 0.00 55.73 54.17 2p44 s ARG 39 Cb 0.06 0.56 0.04 0.00 -0.57 0.00 0.00 34.95 35.04 2p44 s ARG 39 CO 0.66 -0.69 1.00 0.00 -1.08 0.00 0.00 175.30 175.20 2p44 s LYS 41 N 4.21 4.08 0.21 0.00 2.20 -1.10 -4.89 119.74 124.46 2p44 s LYS 41 Ca 0.33 2.45 -0.09 0.00 -0.36 0.00 0.00 55.97 58.30 2p44 s LYS 41 Cb -0.12 -4.13 0.22 0.00 -1.51 0.00 0.00 37.83 32.30 2p44 s LYS 41 CO 0.20 -1.00 1.83 -1.35 -0.36 0.00 0.00 175.35 174.66 2p44 h PRO 42 N 10.60 0.76 -3.97 4.03 0.11 -1.93 -3.43 132.00 138.17 2p44 h PRO 42 Ca -0.46 -0.05 -0.31 0.00 0.11 0.00 0.00 66.00 65.29 2p44 h PRO 42 Cb 1.22 -0.17 -0.30 0.00 0.11 0.00 0.00 31.00 31.86 2p44 h PRO 42 CO 0.95 0.51 -0.74 0.08 -0.21 0.00 0.00 178.00 178.58 2p44 s VAL 43 N -6.10 0.24 -0.07 3.15 1.01 -1.26 -1.70 120.40 115.68 2p44 s VAL 43 Ca -0.13 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 2p44 s VAL 43 Cb 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.31 2p44 s VAL 43 CO 0.77 0.10 0.26 0.21 0.00 0.00 0.00 175.10 176.44 2p44 s ASN 44 N 0.31 -0.21 -0.11 3.32 2.47 -0.39 -4.99 114.94 115.34 2p44 s ASN 44 Ca -0.03 0.32 0.02 0.00 0.42 0.00 0.00 52.86 53.59 2p44 s ASN 44 Cb -0.06 0.45 -0.01 0.00 -1.45 0.00 0.00 41.25 40.17 2p44 s ASN 44 CO -0.01 -0.22 -0.17 -0.89 -3.72 0.00 0.00 177.10 172.10 2p44 s THR 45 N -0.43 2.71 -0.04 -5.21 2.01 -1.26 -0.12 115.64 113.30 2p44 s THR 45 Ca -0.05 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 2p44 s THR 45 Cb -0.04 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2p44 s THR 45 CO 0.01 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.14 2p44 s PHE 46 N 0.16 3.14 -0.14 4.92 0.08 -0.25 -4.45 117.98 121.44 2p44 s PHE 46 Ca -0.09 0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 2p44 s PHE 46 Cb -0.16 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2p44 s PHE 46 CO 0.06 0.48 -0.05 0.08 -0.10 0.00 0.00 175.22 175.68 2p44 s VAL 47 N -1.00 3.79 -0.58 -0.44 1.01 0.34 -0.86 120.40 122.67 2p44 s VAL 47 Ca 0.17 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2p44 s VAL 47 Cb -0.11 -2.64 0.42 0.00 0.00 0.00 0.00 36.38 34.04 2p44 s VAL 47 CO 0.07 0.51 1.60 1.41 0.00 0.00 0.00 175.10 178.68 2p44 n HIS 48 N 3.36 3.11 -4.66 5.22 -0.00 -0.25 -2.45 115.22 119.54 2p44 n HIS 48 Ca -0.18 -2.68 -0.29 0.00 -0.00 0.00 0.00 57.72 54.57 2p44 n HIS 48 Cb 0.53 -0.76 -0.10 0.00 -0.00 0.00 0.00 29.99 29.66 2p44 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2p44 s GLU 49 N -3.77 2.03 0.66 -0.41 0.41 -1.26 -4.64 118.70 111.72 2p44 s GLU 49 Ca 0.54 -2.20 -0.15 0.00 -0.41 0.00 0.00 54.97 52.74 2p44 s GLU 49 Cb 0.44 -1.60 0.00 0.00 -1.78 0.00 0.00 34.13 31.19 2p44 s GLU 49 CO -0.17 -0.14 1.13 -1.54 -0.49 0.00 0.00 175.26 174.04 2p44 s SER 50 N -3.76 5.02 0.26 -0.19 1.04 -1.26 -4.42 113.70 110.39 2p44 s SER 50 Ca 0.26 2.07 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 2p44 s SER 50 Cb 0.07 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 64.03 2p44 s SER 50 CO 0.13 -1.69 1.87 0.25 0.98 0.00 0.00 173.24 174.78 2p44 h LEU 51 N 0.07 0.96 -0.70 2.42 5.85 -2.00 -2.43 115.31 119.49 2p44 h LEU 51 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2p44 h LEU 51 Cb 1.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2p44 h LEU 51 CO 0.54 0.61 0.45 0.00 -0.34 0.00 0.00 178.44 179.70 2p44 h ALA 52 N 1.44 0.89 -0.22 1.25 0.00 -1.99 -0.79 119.26 119.85 2p44 h ALA 52 Ca 0.42 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 2p44 h ALA 52 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2p44 h ALA 52 CO -0.18 0.33 -0.24 -0.44 0.00 0.00 0.00 179.25 178.72 2p44 h ASP 53 N 0.95 0.40 0.07 0.00 5.19 -1.81 -1.28 116.42 119.95 2p44 h ASP 53 Ca 0.26 -0.13 -0.18 0.00 -0.62 0.00 0.00 57.03 56.35 2p44 h ASP 53 Cb -0.09 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 39.33 2p44 h ASP 53 CO -0.05 0.65 -0.76 0.58 -3.12 0.00 0.00 179.24 176.53 2p44 h VAL 54 N 0.36 1.44 -0.80 -1.35 2.07 -1.29 -3.23 116.25 113.46 2p44 h VAL 54 Ca 0.06 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.35 2p44 h VAL 54 Cb 0.62 2.83 -0.05 0.00 -1.52 0.00 0.00 31.29 33.17 2p44 h VAL 54 CO 0.04 0.66 0.52 1.56 0.02 0.00 0.00 177.57 180.38 2p44 h GLN 55 N -0.15 0.84 -0.00 1.57 4.20 -1.10 -1.89 115.11 118.57 2p44 h GLN 55 Ca -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2p44 h GLN 55 Cb 1.51 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 2p44 h GLN 55 CO 0.15 0.55 0.01 0.00 -0.67 0.00 0.00 178.83 178.87 2p44 h ALA 56 N 1.57 1.26 0.00 3.87 0.00 -1.24 -2.39 119.26 122.33 2p44 h ALA 56 Ca 0.34 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2p44 h ALA 56 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2p44 h ALA 56 CO -0.12 -0.01 -0.13 0.28 0.00 0.00 0.00 179.25 179.27 2p44 h VAL 57 N 0.00 0.97 0.00 0.00 2.07 -1.40 -1.89 116.25 116.00 2p44 h VAL 57 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2p44 h VAL 57 Cb 0.02 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2p44 h VAL 57 CO -0.00 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2p44 n SER 59 N -2.37 3.22 -0.06 0.00 7.64 -0.71 -4.98 113.62 116.36 2p44 n SER 59 Ca -0.01 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.94 2p44 n SER 59 Cb 0.05 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2p44 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2p44 n GLN 60 N 1.16 3.27 -2.49 1.43 6.02 0.20 -4.98 117.38 121.98 2p44 n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 2p44 n GLN 60 Cb 0.52 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.76 2p44 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2p44 s LYS 61 N 4.35 4.13 0.01 -1.09 2.20 -1.18 -4.85 119.74 123.30 2p44 s LYS 61 Ca 0.00 1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 2p44 s LYS 61 Cb 0.00 -3.77 -0.07 0.00 -1.51 0.00 0.00 37.83 32.48 2p44 s LYS 61 CO 0.00 -0.84 1.59 1.21 -0.36 0.00 0.00 175.35 176.95 2p44 s ASN 62 N 2.02 6.69 0.14 1.43 3.04 -1.26 -1.06 114.94 125.94 2p44 s ASN 62 Ca 0.52 2.30 0.02 0.00 0.04 0.00 0.00 52.86 55.73 2p44 s ASN 62 Cb -0.18 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.94 2p44 s ASN 62 CO 0.16 -0.86 -0.03 0.68 -3.04 0.00 0.00 177.10 174.01 2p44 s VAL 63 N 3.05 0.66 0.28 -5.21 -7.23 0.19 -4.93 120.40 107.20 2p44 s VAL 63 Ca 0.71 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 2p44 s VAL 63 Cb -0.35 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 2p44 s VAL 63 CO 0.30 -0.65 1.14 0.00 -0.31 0.00 0.00 175.10 175.57 2p44 s ALA 64 N -3.66 3.42 0.86 1.32 0.00 -1.26 -2.95 121.76 119.50 2p44 s ALA 64 Ca 0.19 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 2p44 s ALA 64 Cb 0.06 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 19.93 2p44 s ALA 64 CO -0.00 -0.25 1.10 0.00 0.00 0.00 0.00 175.76 176.60 2p44 h LYS 66 N -1.51 0.62 -0.00 0.00 1.57 -1.90 -1.98 116.57 113.37 2p44 h LYS 66 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2p44 h LYS 66 Cb 1.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2p44 h LYS 66 CO 0.50 0.41 -0.10 0.27 -0.57 0.00 0.00 179.45 179.96 2p44 n ASN 67 N -4.50 0.15 0.00 0.86 6.94 -1.26 -4.91 115.26 112.54 2p44 n ASN 67 Ca 0.13 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 2p44 n ASN 67 Cb 0.36 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 2p44 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2p44 n GLY 68 N 1.43 0.46 3.72 4.83 0.00 -0.74 -5.09 105.19 109.79 2p44 n GLY 68 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2p44 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p44 s GLN 69 N -0.73 2.30 0.00 1.61 -0.21 -1.26 -4.75 119.66 116.63 2p44 s GLN 69 Ca 0.00 1.92 0.04 0.00 0.02 0.00 0.00 55.36 57.34 2p44 s GLN 69 Cb 0.00 -1.83 0.11 0.00 1.00 0.00 0.00 33.01 32.28 2p44 s GLN 69 CO 0.00 -1.75 1.07 0.25 -2.12 0.00 0.00 175.29 172.74 2p44 n THR 70 N -2.34 0.96 -1.09 -0.19 -2.24 -1.26 0.61 114.28 108.73 2p44 n THR 70 Ca 0.15 -0.98 -0.26 0.00 -2.27 0.00 0.00 64.05 60.69 2p44 n THR 70 Cb 0.49 0.52 0.11 0.00 -2.10 0.00 0.00 70.33 69.35 2p44 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2p44 n ASN 71 N -0.12 5.67 -4.95 3.42 6.94 -1.26 -4.68 115.26 120.28 2p44 n ASN 71 Ca 0.04 -3.51 -0.26 0.00 -0.02 0.00 0.00 54.58 50.84 2p44 n ASN 71 Cb 0.30 -0.91 -0.03 0.00 -2.36 0.00 0.00 39.78 36.79 2p44 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2p44 s TYR 73 N -1.79 0.56 -0.13 0.00 1.51 0.44 -0.64 117.35 117.31 2p44 s TYR 73 Ca 0.35 -0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 56.23 2p44 s TYR 73 Cb -0.11 -0.45 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 2p44 s TYR 73 CO 0.29 -0.08 0.09 -1.14 -1.11 0.00 0.00 175.55 173.59 2p44 s GLN 74 N 0.36 3.46 0.28 -0.62 0.74 -0.23 -1.83 119.66 121.83 2p44 s GLN 74 Ca -0.04 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 54.83 2p44 s GLN 74 Cb -0.08 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.83 2p44 s GLN 74 CO -0.00 0.65 1.22 -1.54 -0.55 0.00 0.00 175.29 175.07 2p44 s SER 75 N -0.67 6.99 0.16 6.67 1.04 -0.42 -3.08 113.70 124.40 2p44 s SER 75 Ca 0.12 2.46 -0.10 0.00 0.48 0.00 0.00 55.95 58.91 2p44 s SER 75 Cb -0.12 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.38 2p44 s SER 75 CO 0.02 -0.38 1.55 1.88 0.98 0.00 0.00 173.24 177.29 2p44 h TYR 76 N 3.97 1.15 -2.58 5.02 0.05 -1.95 -3.43 116.97 119.19 2p44 h TYR 76 Ca -0.47 -0.28 -0.48 0.00 0.05 0.00 0.00 58.73 57.56 2p44 h TYR 76 Cb 1.22 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 2p44 h TYR 76 CO 0.58 1.11 -0.29 0.45 -1.05 0.00 0.00 178.16 178.96 2p44 s SER 77 N -6.71 6.31 0.77 3.88 0.15 -1.26 -5.04 113.70 111.80 2p44 s SER 77 Ca -0.11 0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.74 2p44 s SER 77 Cb 0.12 -1.97 0.05 0.00 -1.71 0.00 0.00 66.02 62.52 2p44 s SER 77 CO 0.87 -0.18 1.09 0.42 1.20 0.00 0.00 173.24 176.64 2p44 s THR 78 N -2.14 3.32 0.07 6.45 -4.23 -1.26 -4.45 115.64 113.39 2p44 s THR 78 Ca 0.38 0.44 0.03 0.00 -1.18 0.00 0.00 61.69 61.36 2p44 s THR 78 Cb -0.10 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2p44 s THR 78 CO 0.33 -0.55 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.72 2p44 s MET 79 N -4.85 0.70 -0.05 3.99 -1.94 0.76 -4.82 119.30 113.09 2p44 s MET 79 Ca 0.62 -0.96 -0.30 0.00 -1.71 0.00 0.00 55.69 53.34 2p44 s MET 79 Cb -0.17 -0.46 -0.04 0.00 2.01 0.00 0.00 34.83 36.16 2p44 s MET 79 CO 0.55 0.08 1.40 0.45 -0.01 0.00 0.00 175.02 177.49 2p44 s SER 80 N -1.98 6.86 0.06 3.03 0.15 -1.26 -2.28 113.70 118.27 2p44 s SER 80 Ca -0.02 2.01 -0.00 0.00 0.70 0.00 0.00 55.95 58.64 2p44 s SER 80 Cb -0.07 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 2p44 s SER 80 CO 0.00 -0.75 -0.04 0.27 1.20 0.00 0.00 173.24 173.92 2p44 s ILE 81 N 2.92 0.33 -0.16 6.45 -4.36 -0.73 -1.09 121.20 124.56 2p44 s ILE 81 Ca 0.63 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 2p44 s ILE 81 Cb -0.29 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 41.95 2p44 s ILE 81 CO 0.24 -0.94 -0.16 -0.89 0.24 0.00 0.00 174.94 173.43 2p44 s THR 82 N -3.70 1.73 -0.11 8.37 2.01 -0.04 -1.70 115.64 122.20 2p44 s THR 82 Ca 0.07 -0.73 -0.23 0.00 0.31 0.00 0.00 61.69 61.11 2p44 s THR 82 Cb 0.06 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2p44 s THR 82 CO -0.08 0.48 0.70 -1.81 -0.69 0.00 0.00 174.62 173.22 2p44 s ASP 83 N 1.41 6.91 -0.22 3.53 1.01 -1.00 -1.10 116.67 127.22 2p44 s ASP 83 Ca 0.05 1.10 -0.05 0.00 0.71 0.00 0.00 52.55 54.36 2p44 s ASP 83 Cb -0.13 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2p44 s ASP 83 CO -0.11 -0.19 -0.01 0.00 0.21 0.00 0.00 175.17 175.08 2p44 s ARG 85 N 1.32 1.58 0.23 0.00 0.52 -1.10 -1.26 118.95 120.23 2p44 s ARG 85 Ca 0.04 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 54.59 2p44 s ARG 85 Cb -0.15 -1.39 -0.14 0.00 0.52 0.00 0.00 34.95 33.79 2p44 s ARG 85 CO 0.00 -0.05 1.19 0.39 0.02 0.00 0.00 175.30 176.85 2p44 n GLU 86 N 4.08 1.47 -2.38 3.54 1.02 -0.69 -0.54 120.64 127.15 2p44 n GLU 86 Ca -0.21 0.52 -0.24 0.00 -0.02 0.00 0.00 57.16 57.21 2p44 n GLU 86 Cb 0.51 -2.03 0.05 0.00 -0.02 0.00 0.00 31.44 29.96 2p44 n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2p44 s THR 87 N -0.44 2.54 0.46 2.62 -4.23 -0.63 -4.73 115.64 111.22 2p44 s THR 87 Ca 0.67 -0.39 0.16 0.00 -1.18 0.00 0.00 61.69 60.94 2p44 s THR 87 Cb -0.75 -3.04 0.20 0.00 1.34 0.00 0.00 72.50 70.25 2p44 s THR 87 CO 0.54 -0.04 2.02 1.23 -0.54 0.00 0.00 174.62 177.83 2p44 h GLY 88 N -0.32 0.00 1.00 3.99 0.00 -1.94 -1.56 103.07 104.24 2p44 h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2p44 h GLY 88 CO 0.57 0.00 -0.09 1.44 0.00 0.00 0.00 176.54 178.47 2p44 n SER 89 N -4.29 0.39 -4.73 0.19 7.64 -1.26 -4.83 113.62 106.72 2p44 n SER 89 Ca -0.02 -0.53 -0.42 0.00 1.01 0.00 0.00 58.87 58.91 2p44 n SER 89 Cb 0.23 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 2p44 n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2p44 s SER 90 N -2.47 6.83 -0.30 6.43 0.15 -0.59 -4.87 113.70 118.89 2p44 s SER 90 Ca 0.30 2.41 -0.06 0.00 0.70 0.00 0.00 55.95 59.29 2p44 s SER 90 Cb 0.20 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 62.07 2p44 s SER 90 CO 0.47 -0.60 0.69 -0.75 1.20 0.00 0.00 173.24 174.25 2p44 s LYS 91 N 0.31 0.51 0.35 5.44 2.20 -0.86 -4.91 119.74 122.78 2p44 s LYS 91 Ca 0.60 1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 57.02 2p44 s LYS 91 Cb -0.37 0.63 -0.12 0.00 -1.51 0.00 0.00 37.83 36.45 2p44 s LYS 91 CO 0.36 -0.39 1.21 0.98 -0.36 0.00 0.00 175.35 177.15 2p44 n TYR 92 N 5.40 1.98 1.32 4.03 9.36 -1.26 -0.74 117.16 137.25 2p44 n TYR 92 Ca -0.06 0.57 0.11 0.00 3.32 0.00 0.00 57.90 61.84 2p44 n TYR 92 Cb 0.51 -2.36 0.41 0.00 -0.63 0.00 0.00 39.34 37.27 2p44 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2p44 n PRO 93 N 0.47 1.66 -2.83 2.98 -0.04 -1.26 -4.96 135.00 131.03 2p44 n PRO 93 Ca 0.06 -0.99 -0.44 0.00 -0.04 0.00 0.00 63.50 62.10 2p44 n PRO 93 Cb 0.36 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2p44 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2p44 n ASN 94 N 0.21 5.25 -4.81 3.54 3.02 0.08 -5.02 115.26 117.54 2p44 n ASN 94 Ca 0.16 -3.03 -0.32 0.00 -0.03 0.00 0.00 54.58 51.36 2p44 n ASN 94 Cb 0.31 -1.53 0.01 0.00 -0.61 0.00 0.00 39.78 37.97 2p44 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p44 s ALA 96 N -2.52 -1.38 0.00 0.00 0.00 -1.26 -4.87 121.76 111.73 2p44 s ALA 96 Ca 0.63 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.72 2p44 s ALA 96 Cb -0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2p44 s ALA 96 CO 0.38 -0.31 -0.03 0.71 0.00 0.00 0.00 175.76 176.51 2p44 s TYR 97 N -0.76 0.31 0.02 0.00 2.02 -1.26 -1.61 117.35 116.06 2p44 s TYR 97 Ca -0.08 -0.12 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 2p44 s TYR 97 Cb -0.03 -0.20 -0.06 0.00 -0.40 0.00 0.00 41.96 41.28 2p44 s TYR 97 CO 0.05 -0.02 0.62 0.21 -1.57 0.00 0.00 175.55 174.84 2p44 s LYS 98 N -0.30 4.33 -0.19 -0.62 2.20 0.30 -4.59 119.74 120.86 2p44 s LYS 98 Ca -0.01 0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 2p44 s LYS 98 Cb -0.03 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2p44 s LYS 98 CO -0.00 0.41 0.20 0.99 -0.36 0.00 0.00 175.35 176.59 2p44 s THR 99 N -0.37 5.37 -0.20 3.43 2.01 -1.26 -2.72 115.64 121.90 2p44 s THR 99 Ca 0.32 0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 2p44 s THR 99 Cb -0.19 -3.54 0.06 0.00 0.01 0.00 0.00 72.50 68.85 2p44 s THR 99 CO 0.18 0.41 0.02 -0.89 -0.69 0.00 0.00 174.62 173.66 2p44 s THR 100 N 0.46 0.65 0.30 -0.82 2.01 -1.07 -4.98 115.64 112.18 2p44 s THR 100 Ca 0.11 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 61.18 2p44 s THR 100 Cb -0.12 -1.13 -0.09 0.00 0.01 0.00 0.00 72.50 71.17 2p44 s THR 100 CO 0.01 -0.20 1.05 -1.10 -0.69 0.00 0.00 174.62 173.69 2p44 s GLN 101 N 1.80 4.58 0.24 4.92 -1.52 -1.26 -2.37 119.66 126.04 2p44 s GLN 101 Ca -0.02 1.67 -0.09 0.00 -1.95 0.00 0.00 55.36 54.97 2p44 s GLN 101 Cb -0.17 -3.05 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 2p44 s GLN 101 CO -0.08 0.20 0.37 0.00 -0.25 0.00 0.00 175.29 175.53 2p44 s ALA 102 N -1.29 0.26 -0.35 6.09 0.00 -0.69 -4.98 121.76 120.80 2p44 s ALA 102 Ca 0.47 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2p44 s ALA 102 Cb -0.28 1.18 0.11 0.00 0.00 0.00 0.00 23.12 24.12 2p44 s ALA 102 CO 0.36 -0.77 0.12 -0.80 0.00 0.00 0.00 175.76 174.67 2p44 s ASN 103 N -3.08 4.13 0.06 0.00 -0.87 -1.26 -1.77 114.94 112.16 2p44 s ASN 103 Ca 0.28 -1.97 0.00 0.00 -1.57 0.00 0.00 52.86 49.60 2p44 s ASN 103 Cb 0.02 -1.08 -0.04 0.00 -0.02 0.00 0.00 41.25 40.13 2p44 s ASN 103 CO 0.11 -0.38 -0.05 -0.54 -2.57 0.00 0.00 177.10 173.67 2p44 s LYS 104 N 1.18 0.61 0.37 -0.60 1.02 -0.97 -4.73 119.74 116.63 2p44 s LYS 104 Ca 0.12 -1.09 -0.28 0.00 0.02 0.00 0.00 55.97 54.74 2p44 s LYS 104 Cb -0.19 0.01 -0.10 0.00 -0.52 0.00 0.00 37.83 37.03 2p44 s LYS 104 CO -0.16 -0.05 1.39 -1.01 -0.92 0.00 0.00 175.35 174.60 2p44 s HIS 105 N -3.09 2.77 0.06 3.18 3.76 -0.28 -0.17 115.29 121.52 2p44 s HIS 105 Ca 0.02 1.30 0.02 0.00 -0.15 0.00 0.00 55.06 56.25 2p44 s HIS 105 Cb 0.02 -3.84 -0.04 0.00 1.11 0.00 0.00 32.58 29.83 2p44 s HIS 105 CO -0.06 -2.46 0.11 0.96 -0.85 0.00 0.00 174.74 172.44 2p44 s ILE 106 N -1.16 4.74 -0.12 0.60 -4.36 -1.26 -1.82 121.20 117.82 2p44 s ILE 106 Ca 0.53 -0.62 0.02 0.00 -0.26 0.00 0.00 60.65 60.32 2p44 s ILE 106 Cb -0.43 -3.27 0.01 0.00 1.25 0.00 0.00 42.46 40.03 2p44 s ILE 106 CO 0.57 0.17 -0.19 -0.63 0.24 0.00 0.00 174.94 175.10 2p44 s ILE 107 N -1.38 1.81 0.06 8.37 1.01 0.22 -1.30 121.20 129.99 2p44 s ILE 107 Ca 0.29 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2p44 s ILE 107 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2p44 s ILE 107 CO 0.22 0.50 -0.15 0.68 0.00 0.00 0.00 174.94 176.18 2p44 s VAL 108 N 0.86 1.22 0.03 2.92 -7.23 -0.76 -0.52 120.40 116.92 2p44 s VAL 108 Ca -0.08 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 58.74 2p44 s VAL 108 Cb -0.15 -1.12 -0.06 0.00 0.56 0.00 0.00 36.38 35.60 2p44 s VAL 108 CO -0.01 -0.06 0.51 0.00 -0.31 0.00 0.00 175.10 175.23 2p44 s ALA 109 N -1.02 3.62 0.12 1.32 0.00 -0.36 -0.42 121.76 125.02 2p44 s ALA 109 Ca 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.01 2p44 s ALA 109 Cb -0.09 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2p44 s ALA 109 CO 0.02 0.39 -0.26 0.00 0.00 0.00 0.00 175.76 175.91 2p44 s GLU 111 N -1.94 0.88 0.00 0.00 2.02 -0.46 -4.90 118.70 114.31 2p44 s GLU 111 Ca 0.13 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.79 2p44 s GLU 111 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2p44 s GLU 111 CO 0.05 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2p44 n GLY 112 N 0.63 -4.24 2.73 -1.39 0.00 -1.26 -2.49 105.19 99.17 2p44 n GLY 112 Ca -0.19 -2.12 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 2p44 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2p44 s ASN 113 N -0.06 2.62 0.69 1.61 2.47 -1.26 -2.78 114.94 118.23 2p44 s ASN 113 Ca 0.00 -0.67 -0.16 0.00 0.42 0.00 0.00 52.86 52.45 2p44 s ASN 113 Cb 0.00 -0.54 0.02 0.00 -1.45 0.00 0.00 41.25 39.27 2p44 s ASN 113 CO 0.00 -0.29 1.23 -2.16 -3.72 0.00 0.00 177.10 172.16 2p44 s PRO 114 N 1.90 2.35 -0.52 0.43 0.04 -1.26 -5.08 135.00 132.86 2p44 s PRO 114 Ca 0.00 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2p44 s PRO 114 Cb -0.16 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2p44 s PRO 114 CO -0.08 -1.69 1.19 -0.47 0.04 0.00 0.00 177.00 175.99 2p44 s TYR 115 N -1.80 2.69 0.16 0.56 5.04 -1.12 -4.91 117.35 117.97 2p44 s TYR 115 Ca 0.77 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 56.00 2p44 s TYR 115 Cb -0.31 -4.46 -0.04 0.00 0.35 0.00 0.00 41.96 37.49 2p44 s TYR 115 CO 0.42 -1.47 0.01 0.14 -1.34 0.00 0.00 175.55 173.31 2p44 s VAL 116 N 4.78 0.58 0.23 3.14 -7.23 -1.04 -4.85 120.40 116.00 2p44 s VAL 116 Ca 0.47 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 2p44 s VAL 116 Cb -0.08 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.69 2p44 s VAL 116 CO 0.29 -0.50 1.45 -2.84 -0.31 0.00 0.00 175.10 173.19 2p44 s PRO 117 N -3.93 4.27 0.00 4.82 0.02 -1.26 -1.36 135.00 137.56 2p44 s PRO 117 Ca 0.23 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.56 2p44 s PRO 117 Cb 0.06 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 31.46 2p44 s PRO 117 CO 0.03 -0.44 0.32 1.33 -0.33 0.00 0.00 177.00 177.91 2p44 n VAL 118 N 2.65 0.00 -3.69 3.83 0.24 0.03 -4.58 118.33 116.79 2p44 n VAL 118 Ca 0.08 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 2p44 n VAL 118 Cb 0.40 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 2p44 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2p44 s HIS 119 N -0.62 -0.63 -0.36 6.34 5.65 -1.15 -4.62 115.29 119.90 2p44 s HIS 119 Ca 0.01 1.37 -0.19 0.00 0.25 0.00 0.00 55.06 56.51 2p44 s HIS 119 Cb 0.01 0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.70 2p44 s HIS 119 CO 0.04 -0.34 0.57 0.12 -0.65 0.00 0.00 174.74 174.48 2p44 s PHE 120 N 1.13 3.16 -0.20 3.88 2.19 -1.26 -1.22 117.98 125.67 2p44 s PHE 120 Ca -0.07 0.23 -0.11 0.00 0.33 0.00 0.00 56.93 57.31 2p44 s PHE 120 Cb -0.07 -3.03 -0.20 0.00 -1.31 0.00 0.00 43.02 38.41 2p44 s PHE 120 CO -0.10 -0.59 0.10 -3.47 1.83 0.00 0.00 175.22 172.98 2p44 n ASP 121 N 5.88 2.00 -3.61 6.13 2.03 0.32 -4.97 116.55 124.32 2p44 n ASP 121 Ca -0.03 0.23 -0.05 0.00 0.52 0.00 0.00 54.79 55.46 2p44 n ASP 121 Cb 0.49 -0.81 -0.02 0.00 -0.72 0.00 0.00 41.12 40.06 2p44 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p44 s ALA 122 N -2.49 -1.87 0.02 -1.67 0.00 -1.05 -4.89 121.76 109.81 2p44 s ALA 122 Ca -0.29 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2p44 s ALA 122 Cb 0.08 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2p44 s ALA 122 CO 0.64 -0.83 -0.15 -1.54 0.00 0.00 0.00 175.76 173.87 2p44 s SER 123 N -2.64 1.82 0.00 0.00 1.04 -1.26 -0.61 113.70 112.05 2p44 s SER 123 Ca 0.09 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2p44 s SER 123 Cb -0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2p44 s SER 123 CO -0.04 0.11 0.00 1.33 0.98 0.00 0.00 173.24 175.62