#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p43 n GLU 2 N 0.00 2.39 -1.52 1.64 2.13 -1.26 -4.99 120.64 119.03 2p43 n GLU 2 Ca 0.00 0.87 -0.30 0.00 0.66 0.00 0.00 57.16 58.39 2p43 n GLU 2 Cb 0.00 -2.68 0.09 0.00 0.27 0.00 0.00 31.44 29.13 2p43 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2p43 s THR 3 N 1.51 3.07 0.21 6.31 -4.23 -1.26 -4.87 115.64 116.37 2p43 s THR 3 Ca 0.80 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 61.56 2p43 s THR 3 Cb -0.61 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.32 2p43 s THR 3 CO 0.38 -0.45 1.83 0.00 -0.54 0.00 0.00 174.62 175.83 2p43 h ALA 4 N -1.11 1.00 -0.58 3.99 0.00 -1.95 -1.70 119.26 118.91 2p43 h ALA 4 Ca -0.47 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2p43 h ALA 4 Cb 1.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2p43 h ALA 4 CO 0.59 0.51 0.07 0.00 0.00 0.00 0.00 179.25 180.42 2p43 h ALA 5 N 1.23 0.77 -0.39 0.00 0.00 -1.91 -2.20 119.26 116.76 2p43 h ALA 5 Ca 0.28 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2p43 h ALA 5 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2p43 h ALA 5 CO -0.04 0.54 -0.19 0.00 0.00 0.00 0.00 179.25 179.56 2p43 h ALA 6 N 1.00 0.94 -0.74 0.00 0.00 -1.85 -2.43 119.26 116.18 2p43 h ALA 6 Ca 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2p43 h ALA 6 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2p43 h ALA 6 CO 0.02 0.61 0.40 -0.22 0.00 0.00 0.00 179.25 180.06 2p43 h LYS 7 N 0.66 1.04 -0.67 0.00 3.64 -1.14 -0.22 116.57 119.88 2p43 h LYS 7 Ca 0.10 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2p43 h LYS 7 Cb 0.67 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2p43 h LYS 7 CO 0.05 0.78 0.42 0.35 -2.27 0.00 0.00 179.45 178.78 2p43 h PHE 8 N 1.03 0.79 -0.54 1.91 3.57 -1.22 -0.71 116.94 121.76 2p43 h PHE 8 Ca 0.26 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 2p43 h PHE 8 Cb 0.04 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2p43 h PHE 8 CO 0.00 0.46 0.21 0.93 -2.23 0.00 0.00 178.31 177.67 2p43 h GLU 9 N 0.83 0.82 -0.56 1.11 5.08 -0.85 -0.57 114.58 120.44 2p43 h GLU 9 Ca 0.27 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2p43 h GLU 9 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2p43 h GLU 9 CO -0.10 0.73 0.03 -0.09 -1.00 0.00 0.00 179.01 178.58 2p43 h ARG 10 N 0.74 0.97 0.00 2.33 2.43 -0.78 -1.82 114.38 118.25 2p43 h ARG 10 Ca 0.18 -0.29 -0.20 0.00 -0.81 0.00 0.00 59.98 58.86 2p43 h ARG 10 Cb 0.22 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2p43 h ARG 10 CO -0.01 0.96 -0.97 1.96 -1.51 0.00 0.00 179.97 180.39 2p43 h GLN 11 N 0.85 0.00 0.00 0.20 4.20 -0.96 -3.42 115.11 115.98 2p43 h GLN 11 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2p43 h GLN 11 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2p43 h GLN 11 CO 0.02 0.87 0.00 0.72 -0.67 0.00 0.00 178.83 179.77 2p43 n HIS 12 N -3.30 0.00 -3.81 2.96 8.25 -0.24 -4.73 115.22 114.36 2p43 n HIS 12 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 2p43 n HIS 12 Cb 0.91 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.92 2p43 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2p43 s MET 13 N -0.42 3.98 -0.40 -0.41 -1.94 -0.69 -0.21 119.30 119.21 2p43 s MET 13 Ca 0.00 -0.33 0.06 0.00 -1.71 0.00 0.00 55.69 53.72 2p43 s MET 13 Cb 0.00 -3.38 0.21 0.00 2.01 0.00 0.00 34.83 33.67 2p43 s MET 13 CO 0.00 0.12 0.44 -3.47 -0.01 0.00 0.00 175.02 172.09 2p43 n ASP 14 N 4.06 -0.12 0.15 3.03 2.03 -0.45 -4.84 116.55 120.41 2p43 n ASP 14 Ca -0.16 -2.55 0.01 0.00 0.52 0.00 0.00 54.79 52.62 2p43 n ASP 14 Cb 0.52 -0.60 0.19 0.00 -0.72 0.00 0.00 41.12 40.51 2p43 n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2p43 h SER 15 N 4.76 0.00 1.95 1.67 0.02 -1.73 -3.17 113.55 117.05 2p43 h SER 15 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2p43 h SER 15 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2p43 h SER 15 CO 0.42 0.56 0.00 0.77 -1.14 0.00 0.00 176.83 177.44 2p43 h SER 16 N 0.00 0.00 -3.47 3.07 4.64 -1.92 -3.42 113.55 112.45 2p43 h SER 16 Ca -0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2p43 h SER 16 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 2p43 h SER 16 CO 0.07 0.00 -0.08 -0.89 -0.87 0.00 0.00 176.83 175.06 2p43 s THR 17 N -3.23 4.90 0.53 2.95 2.01 -1.20 -5.10 115.64 116.51 2p43 s THR 17 Ca 0.07 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.59 2p43 s THR 17 Cb 0.05 -3.63 0.10 0.00 0.01 0.00 0.00 72.50 69.04 2p43 s THR 17 CO 0.66 -0.11 0.73 -1.54 -0.69 0.00 0.00 174.62 173.67 2p43 n SER 18 N -0.25 1.12 -0.87 3.53 3.41 -1.26 -4.80 113.62 114.50 2p43 n SER 18 Ca 0.01 -1.91 0.04 0.00 -0.26 0.00 0.00 58.87 56.74 2p43 n SER 18 Cb 0.53 -0.46 0.16 0.00 -0.26 0.00 0.00 64.21 64.17 2p43 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p43 n ALA 19 N -2.85 2.82 -1.72 7.33 0.00 -1.26 -4.97 120.51 119.86 2p43 n ALA 19 Ca -0.12 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.22 2p43 n ALA 19 Cb 0.45 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.89 2p43 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p43 n ALA 20 N 0.33 1.48 -1.71 0.00 0.00 -1.26 -4.89 120.51 114.47 2p43 n ALA 20 Ca 0.11 0.26 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 2p43 n ALA 20 Cb 0.48 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2p43 n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2p43 n SER 21 N 0.12 3.40 -3.23 0.00 7.64 -1.26 -4.96 113.62 115.33 2p43 n SER 21 Ca 0.06 1.13 -0.02 0.00 1.01 0.00 0.00 58.87 61.05 2p43 n SER 21 Cb 0.40 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.06 2p43 n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2p43 s SER 22 N 0.54 -1.10 0.50 6.43 0.15 -1.26 -5.05 113.70 113.90 2p43 s SER 22 Ca 0.68 -0.87 0.26 0.00 0.70 0.00 0.00 55.95 56.73 2p43 s SER 22 Cb -0.57 1.74 1.31 0.00 -1.71 0.00 0.00 66.02 66.79 2p43 s SER 22 CO 0.46 -0.19 2.01 0.28 1.20 0.00 0.00 173.24 177.00 2p43 h SER 23 N 7.05 0.00 -0.37 5.45 0.02 -1.93 -1.99 113.55 121.78 2p43 h SER 23 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2p43 h SER 23 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2p43 h SER 23 CO 0.12 0.15 0.00 -3.20 -1.14 0.00 0.00 176.83 172.76 2p43 n ASN 24 N -3.60 3.39 -0.13 3.07 5.15 -1.26 -4.41 115.26 117.48 2p43 n ASN 24 Ca -0.01 -1.99 -0.04 0.00 -0.60 0.00 0.00 54.58 51.94 2p43 n ASN 24 Cb 0.29 -0.24 0.04 0.00 -0.53 0.00 0.00 39.78 39.34 2p43 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2p43 h TYR 25 N 4.41 0.06 -0.37 1.20 3.20 -1.76 -2.16 116.97 121.54 2p43 h TYR 25 Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 2p43 h TYR 25 Cb 0.97 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2p43 h TYR 25 CO 0.24 -0.04 -0.30 0.00 -1.64 0.00 0.00 178.16 176.42 2p43 h ASN 27 N 0.67 0.89 -0.05 0.00 2.35 -1.68 -0.24 115.58 117.52 2p43 h ASN 27 Ca 0.08 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2p43 h ASN 27 Cb 0.84 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 2p43 h ASN 27 CO 0.07 0.64 -0.00 -0.61 -1.65 0.00 0.00 177.43 175.88 2p43 h GLN 28 N 1.05 0.09 0.03 0.81 5.75 -1.01 -3.28 115.11 118.54 2p43 h GLN 28 Ca 0.28 -0.03 -0.25 0.00 -0.15 0.00 0.00 58.65 58.50 2p43 h GLN 28 Cb -0.12 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.44 2p43 h GLN 28 CO -0.06 0.40 -1.04 0.52 -2.65 0.00 0.00 178.83 175.99 2p43 h MET 29 N -0.23 0.51 -0.51 1.69 2.86 -0.82 -1.86 114.93 116.57 2p43 h MET 29 Ca 0.01 -0.59 -0.02 0.00 -2.06 0.00 0.00 59.70 57.04 2p43 h MET 29 Cb 0.36 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2p43 h MET 29 CO 0.00 1.22 0.22 0.52 1.06 0.00 0.00 176.91 179.93 2p43 h MET 30 N 0.27 0.72 -0.03 1.72 2.86 -1.18 -1.32 114.93 117.97 2p43 h MET 30 Ca -0.11 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.33 2p43 h MET 30 Cb 1.70 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 33.23 2p43 h MET 30 CO 0.19 0.58 -0.35 0.87 1.06 0.00 0.00 176.91 179.26 2p43 h LYS 31 N 0.72 0.30 -0.02 1.72 1.57 -1.61 -0.69 116.57 118.56 2p43 h LYS 31 Ca 0.18 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2p43 h LYS 31 Cb 0.12 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2p43 h LYS 31 CO -0.02 0.95 -0.22 0.77 -0.57 0.00 0.00 179.45 180.36 2p43 h SER 32 N -0.25 0.03 -0.60 0.86 0.02 -0.93 -1.55 113.55 111.13 2p43 h SER 32 Ca -0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2p43 h SER 32 Cb 1.05 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2p43 h SER 32 CO 0.07 0.25 0.00 0.54 -1.14 0.00 0.00 176.83 176.55 2p43 n ARG 33 N -4.27 2.66 -2.21 3.45 5.12 -0.53 -4.94 116.66 115.95 2p43 n ARG 33 Ca -0.02 -2.26 -0.10 0.00 -1.93 0.00 0.00 57.85 53.54 2p43 n ARG 33 Cb 0.28 -1.56 -0.00 0.00 -1.16 0.00 0.00 32.46 30.02 2p43 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2p43 n ASN 34 N 1.20 -3.40 -1.12 0.55 3.02 -0.58 -4.82 115.26 110.10 2p43 n ASN 34 Ca 0.21 -0.01 0.11 0.00 -0.03 0.00 0.00 54.58 54.85 2p43 n ASN 34 Cb 0.59 -2.65 0.27 0.00 -0.61 0.00 0.00 39.78 37.37 2p43 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2p43 n LEU 35 N -1.48 3.27 -0.01 3.41 4.77 -0.27 -3.68 117.00 123.01 2p43 n LEU 35 Ca -0.12 -1.56 0.01 0.00 -0.03 0.00 0.00 56.01 54.30 2p43 n LEU 35 Cb 0.59 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2p43 n LEU 35 CO 0.14 0.78 0.47 0.35 -1.33 0.00 0.00 177.39 177.80 2p43 n THR 36 N 1.31 0.91 -0.03 -5.08 -2.24 -1.18 -2.26 114.28 105.71 2p43 n THR 36 Ca 0.20 -0.93 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 2p43 n THR 36 Cb 0.54 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 69.18 2p43 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2p43 h LYS 37 N 0.00 -0.02 0.00 -0.78 3.64 -1.89 -3.37 116.57 114.15 2p43 h LYS 37 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2p43 h LYS 37 Cb 0.60 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2p43 h LYS 37 CO 0.00 0.64 -2.11 -0.25 -2.27 0.00 0.00 179.45 175.45 2p43 n ASP 38 N -4.78 0.12 -3.54 4.20 8.00 -1.26 -5.01 116.55 114.28 2p43 n ASP 38 Ca -0.09 0.05 -0.06 0.00 0.71 0.00 0.00 54.79 55.40 2p43 n ASP 38 Cb 0.33 1.24 -0.00 0.00 -0.02 0.00 0.00 41.12 42.67 2p43 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p43 s ARG 39 N -2.92 1.75 -0.54 -1.24 1.70 -1.26 -5.10 118.95 111.34 2p43 s ARG 39 Ca -0.08 -1.03 -0.26 0.00 -0.47 0.00 0.00 55.73 53.88 2p43 s ARG 39 Cb 0.09 0.55 0.03 0.00 -0.57 0.00 0.00 34.95 35.06 2p43 s ARG 39 CO 0.86 -0.81 1.05 0.00 -1.08 0.00 0.00 175.30 175.31 2p43 s LYS 41 N 4.33 4.11 0.19 0.00 2.20 -0.96 -4.88 119.74 124.74 2p43 s LYS 41 Ca 0.37 2.54 -0.08 0.00 -0.36 0.00 0.00 55.97 58.44 2p43 s LYS 41 Cb -0.10 -4.15 0.10 0.00 -1.51 0.00 0.00 37.83 32.18 2p43 s LYS 41 CO 0.23 -0.98 1.65 -1.35 -0.36 0.00 0.00 175.35 174.54 2p43 h PRO 42 N 10.62 1.02 -3.85 4.03 0.11 -1.94 -3.44 132.00 138.55 2p43 h PRO 42 Ca -0.48 -0.33 -0.27 0.00 0.11 0.00 0.00 66.00 65.02 2p43 h PRO 42 Cb 1.23 -0.09 -0.29 0.00 0.11 0.00 0.00 31.00 31.96 2p43 h PRO 42 CO 0.94 1.02 -0.73 0.08 -0.21 0.00 0.00 178.00 179.10 2p43 s VAL 43 N -4.96 0.11 -0.15 3.15 1.01 -1.26 -1.76 120.40 116.54 2p43 s VAL 43 Ca -0.11 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2p43 s VAL 43 Cb 0.14 -0.13 0.04 0.00 0.00 0.00 0.00 36.38 36.43 2p43 s VAL 43 CO 0.85 0.05 0.43 0.21 0.00 0.00 0.00 175.10 176.64 2p43 s ASN 44 N 0.20 -0.44 -0.10 3.32 2.47 -0.31 -5.01 114.94 115.08 2p43 s ASN 44 Ca -0.02 0.82 0.01 0.00 0.42 0.00 0.00 52.86 54.10 2p43 s ASN 44 Cb -0.03 0.84 -0.02 0.00 -1.45 0.00 0.00 41.25 40.59 2p43 s ASN 44 CO -0.01 -0.17 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.17 2p43 s THR 45 N 0.14 2.97 -0.01 -5.21 2.01 -1.26 -1.03 115.64 113.24 2p43 s THR 45 Ca -0.01 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.28 2p43 s THR 45 Cb -0.03 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2p43 s THR 45 CO 0.01 0.55 0.02 -0.36 -0.69 0.00 0.00 174.62 174.15 2p43 s PHE 46 N 0.01 3.14 -0.16 4.92 0.08 -0.58 -4.43 117.98 120.97 2p43 s PHE 46 Ca -0.05 0.13 -0.00 0.00 0.12 0.00 0.00 56.93 57.13 2p43 s PHE 46 Cb -0.14 -1.70 -0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2p43 s PHE 46 CO 0.04 0.49 -0.14 0.08 -0.10 0.00 0.00 175.22 175.58 2p43 s VAL 47 N -1.09 2.71 -1.02 -0.44 1.01 0.71 -0.77 120.40 121.51 2p43 s VAL 47 Ca 0.19 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2p43 s VAL 47 Cb -0.12 -2.15 0.32 0.00 0.00 0.00 0.00 36.38 34.43 2p43 s VAL 47 CO 0.10 0.51 1.77 1.41 0.00 0.00 0.00 175.10 178.89 2p43 n HIS 48 N 4.13 2.78 -4.33 5.22 -0.00 0.13 -1.34 115.22 121.81 2p43 n HIS 48 Ca -0.19 -2.62 -0.17 0.00 -0.00 0.00 0.00 57.72 54.74 2p43 n HIS 48 Cb 0.52 -1.18 -0.10 0.00 -0.00 0.00 0.00 29.99 29.23 2p43 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2p43 s GLU 49 N -4.19 1.44 0.64 -0.41 0.41 -1.26 -4.59 118.70 110.74 2p43 s GLU 49 Ca 0.39 -1.78 -0.16 0.00 -0.41 0.00 0.00 54.97 53.01 2p43 s GLU 49 Cb 0.18 -0.31 -0.01 0.00 -1.78 0.00 0.00 34.13 32.21 2p43 s GLU 49 CO -0.11 -0.29 1.11 -1.54 -0.49 0.00 0.00 175.26 173.94 2p43 s SER 50 N -3.33 5.20 0.21 -0.19 1.04 -1.26 -4.19 113.70 111.18 2p43 s SER 50 Ca 0.38 2.02 -0.10 0.00 0.48 0.00 0.00 55.95 58.72 2p43 s SER 50 Cb 0.08 -2.55 0.15 0.00 0.10 0.00 0.00 66.02 63.80 2p43 s SER 50 CO 0.14 -1.57 1.87 0.25 0.98 0.00 0.00 173.24 174.91 2p43 h LEU 51 N 0.19 0.87 -0.55 2.42 5.85 -1.97 -1.48 115.31 120.64 2p43 h LEU 51 Ca -0.47 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.26 2p43 h LEU 51 Cb 1.25 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2p43 h LEU 51 CO 0.54 0.64 0.29 0.00 -0.34 0.00 0.00 178.44 179.58 2p43 h ALA 52 N 1.27 0.72 -0.18 1.25 0.00 -1.98 0.10 119.26 120.44 2p43 h ALA 52 Ca 0.27 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2p43 h ALA 52 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2p43 h ALA 52 CO -0.06 -0.05 -0.34 -0.44 0.00 0.00 0.00 179.25 178.37 2p43 h ASP 53 N 0.56 0.38 0.10 0.00 3.32 -1.80 -1.47 116.42 117.50 2p43 h ASP 53 Ca 0.24 -0.14 -0.28 0.00 0.02 0.00 0.00 57.03 56.87 2p43 h ASP 53 Cb 0.14 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.61 2p43 h ASP 53 CO -0.16 0.70 -1.15 0.58 -1.72 0.00 0.00 179.24 177.49 2p43 h VAL 54 N 0.32 1.30 -0.31 -1.35 2.07 -0.76 -3.16 116.25 114.35 2p43 h VAL 54 Ca 0.04 -2.40 0.03 0.00 0.82 0.00 0.00 66.70 65.18 2p43 h VAL 54 Cb 0.75 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 2p43 h VAL 54 CO 0.06 0.73 0.21 1.56 0.02 0.00 0.00 177.57 180.15 2p43 h GLN 55 N 0.23 0.31 0.00 1.57 4.20 -0.68 -1.63 115.11 119.11 2p43 h GLN 55 Ca -0.17 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2p43 h GLN 55 Cb 1.83 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.54 2p43 h GLN 55 CO 0.22 0.21 0.00 0.00 -0.67 0.00 0.00 178.83 178.59 2p43 h ALA 56 N 1.82 1.00 0.00 3.87 0.00 -1.23 -2.57 119.26 122.15 2p43 h ALA 56 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2p43 h ALA 56 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2p43 h ALA 56 CO -0.03 0.00 -0.12 0.28 0.00 0.00 0.00 179.25 179.38 2p43 h VAL 57 N 0.00 0.57 0.00 0.00 2.07 -1.36 -1.56 116.25 115.97 2p43 h VAL 57 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2p43 h VAL 57 Cb 0.31 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2p43 h VAL 57 CO 0.00 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.71 2p43 n SER 59 N -1.94 3.05 0.00 0.00 7.64 -0.59 -4.98 113.62 116.79 2p43 n SER 59 Ca 0.01 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 57.98 2p43 n SER 59 Cb 0.11 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2p43 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2p43 n GLN 60 N 0.92 2.26 -2.84 1.43 6.02 0.03 -5.01 117.38 120.19 2p43 n GLN 60 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 2p43 n GLN 60 Cb 0.47 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.69 2p43 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2p43 s LYS 61 N 4.73 4.03 -0.03 -1.09 2.20 -1.03 -4.85 119.74 123.70 2p43 s LYS 61 Ca 0.00 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 2p43 s LYS 61 Cb 0.00 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 2p43 s LYS 61 CO 0.00 -0.72 1.42 1.21 -0.36 0.00 0.00 175.35 176.90 2p43 s ASN 62 N 1.57 6.84 0.16 1.43 3.04 -1.26 -0.69 114.94 126.03 2p43 s ASN 62 Ca 0.37 2.08 0.00 0.00 0.04 0.00 0.00 52.86 55.35 2p43 s ASN 62 Cb -0.14 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 2p43 s ASN 62 CO 0.12 -0.75 0.04 0.68 -3.04 0.00 0.00 177.10 174.15 2p43 s VAL 63 N 2.74 0.34 0.25 -5.21 -7.23 -0.13 -4.93 120.40 106.22 2p43 s VAL 63 Ca 0.64 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 2p43 s VAL 63 Cb -0.31 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 2p43 s VAL 63 CO 0.25 -0.42 1.17 0.00 -0.31 0.00 0.00 175.10 175.79 2p43 s ALA 64 N -3.89 3.43 0.73 1.32 0.00 -1.26 -3.17 121.76 118.92 2p43 s ALA 64 Ca 0.26 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 2p43 s ALA 64 Cb 0.07 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.85 2p43 s ALA 64 CO 0.04 -0.31 1.13 0.00 0.00 0.00 0.00 175.76 176.62 2p43 h LYS 66 N -0.56 0.54 -0.00 0.00 1.57 -1.90 -1.90 116.57 114.32 2p43 h LYS 66 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2p43 h LYS 66 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2p43 h LYS 66 CO 0.51 0.36 -0.15 0.27 -0.57 0.00 0.00 179.45 179.87 2p43 n ASN 67 N -4.52 0.28 0.00 0.86 6.94 -1.26 -4.91 115.26 112.64 2p43 n ASN 67 Ca 0.16 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 2p43 n ASN 67 Cb 0.51 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 2p43 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2p43 n GLY 68 N 1.40 1.98 3.67 4.83 0.00 -0.71 -5.10 105.19 111.25 2p43 n GLY 68 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2p43 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2p43 n GLN 69 N -0.83 -0.06 -0.07 1.61 6.02 -1.26 -4.73 117.38 118.06 2p43 n GLN 69 Ca 0.00 0.06 0.04 0.00 -0.01 0.00 0.00 57.00 57.09 2p43 n GLN 69 Cb 0.00 -2.39 0.06 0.00 1.02 0.00 0.00 30.24 28.93 2p43 n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2p43 n THR 70 N -3.63 1.16 -1.33 5.09 -2.24 -1.26 0.25 114.28 112.31 2p43 n THR 70 Ca 0.13 -1.31 -0.30 0.00 -2.27 0.00 0.00 64.05 60.30 2p43 n THR 70 Cb 0.51 0.26 0.12 0.00 -2.10 0.00 0.00 70.33 69.11 2p43 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2p43 n ASN 71 N -0.78 6.04 -4.95 3.42 6.94 -1.26 -4.68 115.26 119.99 2p43 n ASN 71 Ca 0.06 -3.73 -0.25 0.00 -0.02 0.00 0.00 54.58 50.65 2p43 n ASN 71 Cb 0.47 -0.89 -0.03 0.00 -2.36 0.00 0.00 39.78 36.97 2p43 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2p43 s TYR 73 N -1.85 0.14 -0.14 0.00 1.51 0.12 -0.95 117.35 116.18 2p43 s TYR 73 Ca 0.35 0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.43 2p43 s TYR 73 Cb -0.10 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 2p43 s TYR 73 CO 0.29 -0.10 0.06 -1.14 -1.11 0.00 0.00 175.55 173.55 2p43 s GLN 74 N 0.98 3.59 0.28 -0.62 0.74 0.13 -1.55 119.66 123.20 2p43 s GLN 74 Ca -0.09 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 2p43 s GLN 74 Cb -0.12 -3.08 -0.10 0.00 1.10 0.00 0.00 33.01 30.81 2p43 s GLN 74 CO -0.02 0.49 1.21 -1.54 -0.55 0.00 0.00 175.29 174.88 2p43 s SER 75 N -0.26 7.02 0.19 6.67 1.04 -0.42 -2.47 113.70 125.48 2p43 s SER 75 Ca 0.08 2.44 -0.09 0.00 0.48 0.00 0.00 55.95 58.86 2p43 s SER 75 Cb -0.12 -2.63 0.09 0.00 0.10 0.00 0.00 66.02 63.46 2p43 s SER 75 CO 0.02 -0.36 1.68 1.88 0.98 0.00 0.00 173.24 177.43 2p43 h TYR 76 N 4.01 1.19 -3.21 5.02 0.05 -1.96 -3.43 116.97 118.63 2p43 h TYR 76 Ca -0.47 -0.18 -0.55 0.00 0.05 0.00 0.00 58.73 57.58 2p43 h TYR 76 Cb 1.22 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.61 2p43 h TYR 76 CO 0.58 1.01 -0.23 0.45 -1.05 0.00 0.00 178.16 178.92 2p43 s SER 77 N -6.52 6.51 0.82 3.88 0.15 -1.26 -5.04 113.70 112.23 2p43 s SER 77 Ca -0.12 0.68 -0.10 0.00 0.70 0.00 0.00 55.95 57.11 2p43 s SER 77 Cb 0.14 -2.13 0.08 0.00 -1.71 0.00 0.00 66.02 62.41 2p43 s SER 77 CO 0.85 -0.04 1.10 0.42 1.20 0.00 0.00 173.24 176.78 2p43 s THR 78 N -1.80 2.98 0.09 6.45 -4.23 -1.26 -4.53 115.64 113.33 2p43 s THR 78 Ca 0.43 0.32 0.04 0.00 -1.18 0.00 0.00 61.69 61.30 2p43 s THR 78 Cb -0.11 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2p43 s THR 78 CO 0.25 -0.41 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.77 2p43 s MET 79 N -4.84 0.83 -0.36 3.99 -1.94 0.75 -4.83 119.30 112.90 2p43 s MET 79 Ca 0.63 -1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 2p43 s MET 79 Cb -0.19 -0.58 -0.00 0.00 2.01 0.00 0.00 34.83 36.07 2p43 s MET 79 CO 0.57 0.10 1.53 -1.12 -0.01 0.00 0.00 175.02 176.08 2p43 s SER 80 N -2.28 6.25 0.24 3.03 0.01 -1.26 -2.31 113.70 117.38 2p43 s SER 80 Ca 0.03 1.07 0.06 0.00 1.31 0.00 0.00 55.95 58.43 2p43 s SER 80 Cb -0.05 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2p43 s SER 80 CO 0.01 -1.46 -0.08 0.27 0.41 0.00 0.00 173.24 172.39 2p43 s ILE 81 N 5.70 1.51 -0.13 1.44 -4.36 -0.75 -0.70 121.20 123.91 2p43 s ILE 81 Ca 0.67 -2.13 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 2p43 s ILE 81 Cb -0.17 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.29 2p43 s ILE 81 CO 0.32 -0.42 -0.15 -0.89 0.24 0.00 0.00 174.94 174.04 2p43 s THR 82 N -3.11 1.53 -0.13 8.37 2.01 0.05 -1.68 115.64 122.68 2p43 s THR 82 Ca 0.26 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.42 2p43 s THR 82 Cb 0.03 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 2p43 s THR 82 CO 0.09 0.45 0.63 -0.62 -0.69 0.00 0.00 174.62 174.48 2p43 s ASP 83 N 1.25 6.80 -0.20 3.53 2.15 0.69 -1.52 116.67 129.36 2p43 s ASP 83 Ca -0.01 0.96 -0.03 0.00 0.43 0.00 0.00 52.55 53.91 2p43 s ASP 83 Cb -0.14 -2.36 -0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2p43 s ASP 83 CO -0.06 -0.16 -0.08 0.00 -0.17 0.00 0.00 175.17 174.70 2p43 s ARG 85 N 1.31 0.75 0.47 0.00 0.52 -0.98 -1.16 118.95 119.86 2p43 s ARG 85 Ca 0.04 -0.30 -0.24 0.00 -0.52 0.00 0.00 55.73 54.70 2p43 s ARG 85 Cb -0.14 -0.72 -0.08 0.00 0.52 0.00 0.00 34.95 34.53 2p43 s ARG 85 CO -0.04 0.17 1.30 0.39 0.02 0.00 0.00 175.30 177.13 2p43 n GLU 86 N 2.97 1.87 -1.97 3.54 1.02 -0.72 -0.35 120.64 127.00 2p43 n GLU 86 Ca -0.15 0.67 -0.29 0.00 -0.02 0.00 0.00 57.16 57.38 2p43 n GLU 86 Cb 0.56 -2.45 0.07 0.00 -0.02 0.00 0.00 31.44 29.60 2p43 n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2p43 s THR 87 N -1.24 2.64 0.51 2.62 -4.23 -0.33 -4.69 115.64 110.93 2p43 s THR 87 Ca 0.64 0.12 0.24 0.00 -1.18 0.00 0.00 61.69 61.51 2p43 s THR 87 Cb -0.47 -3.19 0.29 0.00 1.34 0.00 0.00 72.50 70.47 2p43 s THR 87 CO 0.55 -0.24 2.14 1.23 -0.54 0.00 0.00 174.62 177.77 2p43 h GLY 88 N -0.80 0.00 0.86 3.99 0.00 -1.95 -2.55 103.07 102.62 2p43 h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2p43 h GLY 88 CO 0.64 0.00 -0.86 1.44 0.00 0.00 0.00 176.54 177.76 2p43 n SER 89 N -3.99 0.65 -4.63 0.19 7.64 -1.26 -4.93 113.62 107.29 2p43 n SER 89 Ca -0.03 -0.03 -0.48 0.00 1.01 0.00 0.00 58.87 59.34 2p43 n SER 89 Cb 0.15 0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 63.82 2p43 n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2p43 n SER 90 N -2.06 2.22 -3.66 6.43 2.88 -0.96 -4.96 113.62 113.50 2p43 n SER 90 Ca 0.02 1.12 -0.06 0.00 -1.33 0.00 0.00 58.87 58.62 2p43 n SER 90 Cb 0.44 -1.31 -0.07 0.00 -0.75 0.00 0.00 64.21 62.52 2p43 n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2p43 s LYS 91 N 0.27 0.46 0.27 -1.46 2.47 -0.94 -4.92 119.74 115.88 2p43 s LYS 91 Ca 0.77 1.18 -0.31 0.00 -1.56 0.00 0.00 55.97 56.06 2p43 s LYS 91 Cb -0.80 0.47 -0.12 0.00 -1.46 0.00 0.00 37.83 35.92 2p43 s LYS 91 CO 0.46 -0.21 1.56 0.98 0.16 0.00 0.00 175.35 178.29 2p43 n TYR 92 N 5.19 2.68 0.11 4.03 9.36 -1.26 0.86 117.16 138.13 2p43 n TYR 92 Ca -0.12 0.28 0.07 0.00 3.32 0.00 0.00 57.90 61.45 2p43 n TYR 92 Cb 0.51 -2.57 0.25 0.00 -0.63 0.00 0.00 39.34 36.90 2p43 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2p43 n PRO 93 N 2.27 2.72 -3.12 2.98 -0.04 -1.26 -4.99 135.00 133.56 2p43 n PRO 93 Ca 0.10 -2.01 -0.40 0.00 -0.04 0.00 0.00 63.50 61.15 2p43 n PRO 93 Cb 0.35 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2p43 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2p43 n ASN 94 N 0.85 5.85 -4.79 3.54 3.02 0.25 -5.04 115.26 118.95 2p43 n ASN 94 Ca 0.18 -3.39 -0.36 0.00 -0.03 0.00 0.00 54.58 50.99 2p43 n ASN 94 Cb 0.60 -1.17 -0.04 0.00 -0.61 0.00 0.00 39.78 38.56 2p43 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p43 s ALA 96 N -1.78 -0.77 0.03 0.00 0.00 -1.26 -4.92 121.76 113.07 2p43 s ALA 96 Ca 0.62 0.74 0.04 0.00 0.00 0.00 0.00 51.96 53.36 2p43 s ALA 96 Cb -0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2p43 s ALA 96 CO 0.25 -0.17 -0.11 0.71 0.00 0.00 0.00 175.76 176.43 2p43 s TYR 97 N -0.20 0.96 -0.02 0.00 2.02 -1.26 -1.18 117.35 117.67 2p43 s TYR 97 Ca -0.03 -0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 2p43 s TYR 97 Cb -0.03 -0.58 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 2p43 s TYR 97 CO 0.01 -0.00 0.36 0.21 -1.57 0.00 0.00 175.55 174.56 2p43 s LYS 98 N -1.00 3.83 -0.18 -0.62 2.20 0.53 -4.61 119.74 119.90 2p43 s LYS 98 Ca -0.01 0.31 -0.08 0.00 -0.36 0.00 0.00 55.97 55.83 2p43 s LYS 98 Cb -0.07 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2p43 s LYS 98 CO 0.01 0.70 0.10 0.99 -0.36 0.00 0.00 175.35 176.79 2p43 s THR 99 N -1.05 5.10 -0.09 3.43 2.01 -1.26 -2.31 115.64 121.47 2p43 s THR 99 Ca 0.22 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 2p43 s THR 99 Cb -0.16 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.08 2p43 s THR 99 CO 0.12 0.47 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.60 2p43 s THR 100 N 0.20 0.64 0.31 -0.82 2.01 -0.50 -4.97 115.64 112.51 2p43 s THR 100 Ca 0.06 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 2p43 s THR 100 Cb -0.12 -0.75 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 2p43 s THR 100 CO -0.00 0.29 0.98 -1.10 -0.69 0.00 0.00 174.62 174.10 2p43 s GLN 101 N 1.86 4.60 0.15 4.92 -1.52 -1.26 -0.22 119.66 128.18 2p43 s GLN 101 Ca 0.05 1.46 -0.11 0.00 -1.95 0.00 0.00 55.36 54.81 2p43 s GLN 101 Cb -0.12 -2.93 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 2p43 s GLN 101 CO -0.06 0.27 0.30 0.00 -0.25 0.00 0.00 175.29 175.54 2p43 s ALA 102 N -1.45 -0.26 -0.31 6.09 0.00 -0.68 -4.94 121.76 120.22 2p43 s ALA 102 Ca 0.48 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2p43 s ALA 102 Cb -0.23 0.75 0.09 0.00 0.00 0.00 0.00 23.12 23.73 2p43 s ALA 102 CO 0.29 -0.63 0.00 -0.80 0.00 0.00 0.00 175.76 174.62 2p43 s ASN 103 N -2.91 4.54 0.06 0.00 -0.87 -1.26 -1.81 114.94 112.68 2p43 s ASN 103 Ca 0.12 -1.82 -0.02 0.00 -1.57 0.00 0.00 52.86 49.56 2p43 s ASN 103 Cb 0.03 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.25 39.73 2p43 s ASN 103 CO -0.04 -0.32 0.02 -0.54 -2.57 0.00 0.00 177.10 173.65 2p43 s LYS 104 N 1.06 0.68 0.22 -0.60 1.02 -0.98 -4.76 119.74 116.39 2p43 s LYS 104 Ca 0.04 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 2p43 s LYS 104 Cb -0.19 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.27 2p43 s LYS 104 CO -0.09 -0.15 1.29 -1.01 -0.92 0.00 0.00 175.35 174.48 2p43 s HIS 105 N -3.92 3.25 0.17 3.18 3.76 -0.13 -0.18 115.29 121.42 2p43 s HIS 105 Ca 0.08 1.28 -0.06 0.00 -0.15 0.00 0.00 55.06 56.21 2p43 s HIS 105 Cb 0.07 -3.59 -0.06 0.00 1.11 0.00 0.00 32.58 30.11 2p43 s HIS 105 CO -0.09 -1.79 0.43 0.96 -0.85 0.00 0.00 174.74 173.40 2p43 s ILE 106 N -0.17 5.10 -0.14 0.60 -4.36 -1.26 -1.46 121.20 119.51 2p43 s ILE 106 Ca 0.55 0.16 0.01 0.00 -0.26 0.00 0.00 60.65 61.11 2p43 s ILE 106 Cb -0.37 -3.62 0.02 0.00 1.25 0.00 0.00 42.46 39.74 2p43 s ILE 106 CO 0.41 0.01 -0.15 -0.63 0.24 0.00 0.00 174.94 174.81 2p43 s ILE 107 N -1.70 1.63 0.12 8.37 1.01 0.28 -1.30 121.20 129.60 2p43 s ILE 107 Ca 0.43 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.49 2p43 s ILE 107 Cb -0.12 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 2p43 s ILE 107 CO 0.24 0.47 -0.21 0.68 0.00 0.00 0.00 174.94 176.11 2p43 s VAL 108 N 1.34 1.80 -0.07 2.92 -7.23 -0.60 -0.73 120.40 117.83 2p43 s VAL 108 Ca 0.02 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 2p43 s VAL 108 Cb -0.13 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2p43 s VAL 108 CO -0.09 -0.08 0.39 0.00 -0.31 0.00 0.00 175.10 175.01 2p43 s ALA 109 N -1.28 3.62 0.09 1.32 0.00 -0.20 -0.71 121.76 124.60 2p43 s ALA 109 Ca 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2p43 s ALA 109 Cb -0.09 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2p43 s ALA 109 CO 0.05 0.27 -0.16 0.00 0.00 0.00 0.00 175.76 175.93 2p43 s GLU 111 N -1.93 0.93 0.00 0.00 2.02 -0.71 -4.91 118.70 114.10 2p43 s GLU 111 Ca 0.18 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2p43 s GLU 111 Cb -0.11 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.53 2p43 s GLU 111 CO 0.09 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2p43 n GLY 112 N 0.22 0.56 2.61 -1.39 0.00 -1.26 -2.31 105.19 103.61 2p43 n GLY 112 Ca -0.17 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.44 2p43 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2p43 s ASN 113 N 0.00 2.45 0.57 1.61 2.47 -1.26 -2.75 114.94 118.04 2p43 s ASN 113 Ca 0.00 -1.52 -0.15 0.00 0.42 0.00 0.00 52.86 51.60 2p43 s ASN 113 Cb 0.00 0.02 -0.05 0.00 -1.45 0.00 0.00 41.25 39.77 2p43 s ASN 113 CO 0.00 -0.35 1.03 -2.16 -3.72 0.00 0.00 177.10 171.90 2p43 s PRO 114 N 1.69 3.52 -0.45 0.43 0.04 -1.26 -5.12 135.00 133.85 2p43 s PRO 114 Ca 0.14 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 2p43 s PRO 114 Cb -0.18 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.32 2p43 s PRO 114 CO -0.17 -0.63 0.92 -0.47 0.04 0.00 0.00 177.00 176.69 2p43 s TYR 115 N -2.59 2.94 0.13 0.56 5.04 -1.11 -4.91 117.35 117.42 2p43 s TYR 115 Ca 0.61 0.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.67 2p43 s TYR 115 Cb -0.14 -3.92 -0.04 0.00 0.35 0.00 0.00 41.96 38.21 2p43 s TYR 115 CO 0.37 -1.07 -0.02 0.14 -1.34 0.00 0.00 175.55 173.63 2p43 s VAL 116 N 3.71 0.58 0.20 3.14 -7.23 -0.98 -4.89 120.40 114.93 2p43 s VAL 116 Ca 0.37 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.28 2p43 s VAL 116 Cb -0.10 -1.89 -0.11 0.00 0.56 0.00 0.00 36.38 34.84 2p43 s VAL 116 CO 0.25 -0.68 1.62 -2.84 -0.31 0.00 0.00 175.10 173.15 2p43 s PRO 117 N -3.90 4.18 0.00 4.82 0.02 -1.26 -1.73 135.00 137.12 2p43 s PRO 117 Ca 0.18 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2p43 s PRO 117 Cb 0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2p43 s PRO 117 CO -0.01 -0.65 0.17 1.33 -0.33 0.00 0.00 177.00 177.51 2p43 n VAL 118 N 3.68 0.00 -3.70 3.83 0.24 -0.32 -4.47 118.33 117.59 2p43 n VAL 118 Ca 0.13 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.34 61.94 2p43 n VAL 118 Cb 0.37 1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 33.76 2p43 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2p43 s HIS 119 N -0.42 -0.60 -0.31 6.34 5.65 -1.15 -4.61 115.29 120.19 2p43 s HIS 119 Ca 0.00 1.36 -0.17 0.00 0.25 0.00 0.00 55.06 56.50 2p43 s HIS 119 Cb 0.00 0.25 -0.02 0.00 -1.18 0.00 0.00 32.58 31.63 2p43 s HIS 119 CO 0.00 -0.31 0.48 0.12 -0.65 0.00 0.00 174.74 174.38 2p43 s PHE 120 N 0.76 3.22 -0.24 3.88 2.19 -1.26 -1.03 117.98 125.49 2p43 s PHE 120 Ca -0.04 0.33 -0.18 0.00 0.33 0.00 0.00 56.93 57.37 2p43 s PHE 120 Cb -0.05 -2.79 -0.15 0.00 -1.31 0.00 0.00 43.02 38.71 2p43 s PHE 120 CO -0.06 -0.41 -0.08 -3.47 1.83 0.00 0.00 175.22 173.04 2p43 n ASP 121 N 5.59 1.91 -3.60 6.13 2.03 0.09 -4.96 116.55 123.74 2p43 n ASP 121 Ca -0.05 0.38 -0.05 0.00 0.52 0.00 0.00 54.79 55.58 2p43 n ASP 121 Cb 0.49 -0.89 -0.02 0.00 -0.72 0.00 0.00 41.12 39.99 2p43 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p43 s ALA 122 N -2.44 -1.85 0.03 -1.67 0.00 -1.04 -4.90 121.76 109.89 2p43 s ALA 122 Ca -0.34 0.78 0.07 0.00 0.00 0.00 0.00 51.96 52.47 2p43 s ALA 122 Cb 0.10 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2p43 s ALA 122 CO 0.54 -0.82 -0.19 -1.54 0.00 0.00 0.00 175.76 173.75 2p43 s SER 123 N -2.63 2.26 0.00 0.00 1.04 -1.26 -0.56 113.70 112.54 2p43 s SER 123 Ca 0.09 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2p43 s SER 123 Cb -0.01 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2p43 s SER 123 CO -0.05 0.14 0.00 1.33 0.98 0.00 0.00 173.24 175.65