#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poz s GLN 21 N 0.00 0.51 0.05 0.00 1.03 -1.26 -2.88 119.66 117.11 1poz s GLN 21 Ca 0.00 0.80 0.08 0.00 0.04 0.00 0.00 55.36 56.28 1poz s GLN 21 Cb 0.00 0.13 -0.03 0.00 0.03 0.00 0.00 33.01 33.14 1poz s GLN 21 CO 0.00 -0.12 -0.23 0.42 -2.54 0.00 0.00 175.29 172.82 1poz s ILE 22 N 0.94 1.85 -0.24 3.63 1.01 -0.35 -4.93 121.20 123.11 1poz s ILE 22 Ca -0.06 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.20 1poz s ILE 22 Cb -0.06 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1poz s ILE 22 CO -0.08 0.24 0.11 -1.81 0.00 0.00 0.00 174.94 173.40 1poz s ASP 23 N -1.28 5.58 -0.56 3.58 1.11 -1.26 -3.00 116.67 120.84 1poz s ASP 23 Ca 0.09 -0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.76 1poz s ASP 23 Cb -0.09 -2.00 0.14 0.00 1.07 0.00 0.00 42.92 42.04 1poz s ASP 23 CO 0.02 0.02 0.34 -0.76 1.18 0.00 0.00 175.17 175.96 1poz s LEU 24 N 1.33 4.84 -0.59 1.23 1.02 0.24 -2.04 118.68 124.71 1poz s LEU 24 Ca 0.06 -2.85 -0.19 0.00 0.02 0.00 0.00 54.13 51.17 1poz s LEU 24 Cb -0.15 -1.75 0.10 0.00 0.02 0.00 0.00 46.19 44.41 1poz s LEU 24 CO 0.05 -0.32 0.72 0.21 0.02 0.00 0.00 176.35 177.03 1poz s ASN 25 N 0.35 6.18 0.24 2.29 2.47 -0.53 0.11 114.94 126.05 1poz s ASN 25 Ca 0.16 -1.36 0.02 0.00 0.42 0.00 0.00 52.86 52.10 1poz s ASN 25 Cb -0.23 -2.31 0.03 0.00 -1.45 0.00 0.00 41.25 37.29 1poz s ASN 25 CO -0.02 -1.13 0.22 2.30 -3.72 0.00 0.00 177.10 174.75 1poz n ILE 26 N 5.58 0.00 -0.06 -5.21 -5.35 0.13 -0.35 119.36 114.11 1poz n ILE 26 Ca -0.09 -0.47 -0.05 0.00 -0.27 0.00 0.00 62.75 61.88 1poz n ILE 26 Cb 0.43 -0.98 -0.10 0.00 -1.74 0.00 0.00 39.64 37.25 1poz n ILE 26 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1poz n THR 27 N -1.44 0.76 0.00 7.28 -1.04 0.29 0.16 114.28 120.28 1poz n THR 27 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1poz n THR 27 Cb 0.15 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz s ARG 29 N -2.09 3.40 0.13 0.00 3.52 -0.62 -1.81 118.95 121.49 1poz s ARG 29 Ca 0.00 -3.06 -0.21 0.00 -0.13 0.00 0.00 55.73 52.34 1poz s ARG 29 Cb 0.00 -4.11 -0.07 0.00 -1.56 0.00 0.00 34.95 29.21 1poz s ARG 29 CO 0.00 -1.25 0.65 -0.06 -0.81 0.00 0.00 175.30 173.83 1poz s PHE 30 N -0.96 3.79 -1.04 5.12 0.40 0.30 -0.02 117.98 125.58 1poz s PHE 30 Ca 0.25 1.37 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1poz s PHE 30 Cb -0.10 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.85 1poz s PHE 30 CO -0.10 0.51 0.00 0.00 0.70 0.00 0.00 175.22 176.34 1poz n ALA 31 N 1.44 -0.28 -0.24 5.36 0.00 0.20 0.13 120.51 127.12 1poz n ALA 31 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1poz n ALA 31 Cb 0.50 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1poz n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1poz n GLY 32 N -0.30 0.81 3.21 0.00 0.00 -0.79 -3.06 105.19 105.05 1poz n GLY 32 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1poz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1poz s VAL 33 N -2.13 2.43 -0.19 1.61 1.01 0.36 -1.88 120.40 121.61 1poz s VAL 33 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1poz s VAL 33 Cb 0.00 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1poz s VAL 33 CO 0.00 0.52 -0.09 0.12 0.00 0.00 0.00 175.10 175.65 1poz s PHE 34 N 1.02 2.89 -0.22 5.22 5.36 -1.00 0.11 117.98 131.36 1poz s PHE 34 Ca -0.02 -0.96 -0.22 0.00 -0.96 0.00 0.00 56.93 54.77 1poz s PHE 34 Cb -0.15 -2.01 -0.02 0.00 -0.34 0.00 0.00 43.02 40.51 1poz s PHE 34 CO -0.04 -0.49 0.69 -1.58 -1.46 0.00 0.00 175.22 172.33 1poz s HIS 35 N 1.14 3.34 -0.11 10.12 5.65 -0.75 -2.86 115.29 131.82 1poz s HIS 35 Ca 0.01 0.97 -0.13 0.00 0.25 0.00 0.00 55.06 56.16 1poz s HIS 35 Cb -0.14 -2.88 -0.05 0.00 -1.18 0.00 0.00 32.58 28.33 1poz s HIS 35 CO -0.02 -0.27 0.29 0.54 -0.65 0.00 0.00 174.74 174.63 1poz s VAL 36 N 2.29 5.28 0.04 0.89 0.11 0.11 0.10 120.40 129.22 1poz s VAL 36 Ca 0.30 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 1poz s VAL 36 Cb -0.16 -3.60 -0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1poz s VAL 36 CO 0.09 0.48 0.05 -0.62 -3.33 0.00 0.00 175.10 171.78 1poz n GLU 37 N 2.82 0.07 0.00 1.54 1.02 0.52 -2.45 120.64 124.17 1poz n GLU 37 Ca -0.14 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 1poz n GLU 37 Cb 0.53 0.32 0.00 0.00 -0.02 0.00 0.00 31.44 32.26 1poz n GLU 37 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1poz n LYS 38 N -0.07 0.00 0.00 3.49 0.00 -1.18 -1.46 118.16 118.94 1poz n LYS 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1poz n LYS 38 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.10 1poz n LYS 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1poz n ASN 39 N 9.18 0.00 -1.25 3.14 2.85 -0.87 -0.54 115.26 127.77 1poz n ASN 39 Ca 0.00 0.41 0.04 0.00 -0.11 0.00 0.00 54.58 54.92 1poz n ASN 39 Cb 0.00 -0.41 0.09 0.00 1.24 0.00 0.00 39.78 40.70 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1poz n GLY 40 N -1.41 2.78 3.09 8.20 0.00 -1.22 -4.86 105.19 111.77 1poz n GLY 40 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1poz n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1poz s ARG 41 N -1.53 0.62 0.00 1.61 1.70 0.29 -3.97 118.95 117.68 1poz s ARG 41 Ca 0.36 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1poz s ARG 41 Cb 0.38 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1poz s ARG 41 CO -0.12 0.03 0.00 0.66 -1.08 0.00 0.00 175.30 174.79 1poz n TYR 42 N 1.03 0.00 -2.68 5.89 4.02 -1.03 -4.39 117.16 120.00 1poz n TYR 42 Ca -0.20 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.64 1poz n TYR 42 Cb 0.56 -0.87 0.11 0.00 -0.02 0.00 0.00 39.34 39.12 1poz n TYR 42 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1poz n SER 43 N 0.00 -1.69 -4.55 7.72 2.88 -0.90 -4.16 113.62 112.92 1poz n SER 43 Ca 0.00 -2.31 -0.29 0.00 -1.33 0.00 0.00 58.87 54.94 1poz n SER 43 Cb 0.00 0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 64.25 1poz n SER 43 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1poz s ILE 44 N 0.17 3.15 0.00 2.46 2.07 -0.81 -4.72 121.20 123.51 1poz s ILE 44 Ca 0.17 -1.48 0.00 0.00 -1.41 0.00 0.00 60.65 57.92 1poz s ILE 44 Cb 0.39 -2.50 0.00 0.00 0.13 0.00 0.00 42.46 40.48 1poz s ILE 44 CO -0.10 0.02 0.00 -1.54 -1.91 0.00 0.00 174.94 171.42 1poz n SER 45 N 0.48 0.79 -0.10 4.50 3.41 -1.26 -0.75 113.62 120.69 1poz n SER 45 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.36 1poz n SER 45 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1poz n SER 45 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1poz h ARG 46 N 0.00 0.63 0.97 4.33 2.43 -1.99 -2.55 114.38 118.19 1poz h ARG 46 Ca 0.00 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 1poz h ARG 46 Cb 0.00 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1poz h ARG 46 CO 0.00 0.85 -0.47 1.79 -1.51 0.00 0.00 179.97 180.63 1poz h THR 47 N 0.39 0.00 0.00 0.20 1.35 -1.98 -2.42 112.91 110.44 1poz h THR 47 Ca 0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1poz h THR 47 Cb 0.65 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1poz h THR 47 CO 0.04 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.52 1poz n GLU 48 N -5.55 0.00 -0.10 4.72 0.00 -1.24 -1.43 120.64 117.04 1poz n GLU 48 Ca -0.16 0.27 -0.03 0.00 0.00 0.00 0.00 57.16 57.24 1poz n GLU 48 Cb 0.51 -1.13 -0.02 0.00 0.00 0.00 0.00 31.44 30.80 1poz n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1poz n ALA 49 N -1.05 -0.16 -0.25 4.31 0.00 -0.96 0.14 120.51 122.54 1poz n ALA 49 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.67 1poz n ALA 49 Cb 0.00 0.09 0.09 0.00 0.00 0.00 0.00 19.45 19.63 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz h ALA 50 N -0.13 0.52 -0.61 0.00 0.00 -1.44 0.97 119.26 118.57 1poz h ALA 50 Ca 0.04 0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.35 1poz h ALA 50 Cb 0.10 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 1poz h ALA 50 CO -0.23 -0.42 -0.20 -0.44 0.00 0.00 0.00 179.25 177.96 1poz h ASP 51 N 0.01 -0.72 0.00 0.00 5.19 0.24 0.50 116.42 121.64 1poz h ASP 51 Ca 0.36 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1poz h ASP 51 Cb 0.56 0.43 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1poz h ASP 51 CO -0.73 -0.24 -0.10 0.25 -3.12 0.00 0.00 179.24 175.30 1poz h LEU 52 N -0.05 0.00 -1.06 1.55 6.46 -0.64 -0.78 115.31 120.79 1poz h LEU 52 Ca 0.29 0.00 0.37 0.00 -0.12 0.00 0.00 57.88 58.41 1poz h LEU 52 Cb 0.49 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.31 1poz h LEU 52 CO -0.65 0.18 0.67 0.00 -0.62 0.00 0.00 178.44 178.03 1poz n LYS 54 N -4.27 0.69 -0.24 0.00 2.85 0.16 -4.05 118.16 113.32 1poz n LYS 54 Ca 0.31 0.28 0.18 0.00 -1.05 0.00 0.00 58.31 58.04 1poz n LYS 54 Cb 1.21 -1.76 0.34 0.00 -0.65 0.00 0.00 35.03 34.17 1poz n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1poz n ALA 55 N -2.76 0.60 -2.11 0.58 0.00 1.28 0.12 120.51 118.23 1poz n ALA 55 Ca -0.24 0.75 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 1poz n ALA 55 Cb 1.05 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 19.84 1poz n ALA 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1poz n PHE 56 N -4.77 2.67 -3.45 0.00 -1.74 -1.08 0.16 117.46 109.24 1poz n PHE 56 Ca 0.23 -2.40 -0.32 0.00 -0.56 0.00 0.00 57.45 54.40 1poz n PHE 56 Cb 0.79 -1.29 0.03 0.00 1.52 0.00 0.00 39.48 40.53 1poz n PHE 56 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1poz n ASN 57 N 0.08 -5.69 -3.86 5.98 3.02 0.33 -4.61 115.26 110.51 1poz n ASN 57 Ca 0.52 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.92 1poz n ASN 57 Cb 0.29 -1.59 -0.05 0.00 -0.61 0.00 0.00 39.78 37.82 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1poz s SER 58 N -1.36 0.06 0.08 6.41 0.01 -1.16 -2.13 113.70 115.62 1poz s SER 58 Ca 0.31 -1.04 -0.00 0.00 1.31 0.00 0.00 55.95 56.53 1poz s SER 58 Cb -0.03 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 1poz s SER 58 CO 0.70 -1.17 -0.02 0.42 0.41 0.00 0.00 173.24 173.57 1poz s THR 59 N -3.82 0.36 -0.47 1.44 -4.23 -0.96 -4.53 115.64 103.45 1poz s THR 59 Ca 0.24 -1.87 -0.39 0.00 -1.18 0.00 0.00 61.69 58.49 1poz s THR 59 Cb -0.00 -1.68 -0.16 0.00 1.34 0.00 0.00 72.50 72.00 1poz s THR 59 CO 0.11 -0.85 2.21 0.18 -0.54 0.00 0.00 174.62 175.72 1poz n LEU 60 N 0.02 1.34 -4.75 4.79 4.32 -1.26 -2.76 117.00 118.69 1poz n LEU 60 Ca -0.12 0.50 -0.41 0.00 -0.02 0.00 0.00 56.01 55.97 1poz n LEU 60 Cb 0.61 -1.07 -0.02 0.00 -1.62 0.00 0.00 43.42 41.32 1poz n LEU 60 CO 0.29 -0.77 1.05 -2.16 -1.22 0.00 0.00 177.39 174.59 1poz s PRO 61 N 6.35 4.31 0.00 3.23 0.04 -1.26 -4.70 135.00 142.96 1poz s PRO 61 Ca 1.16 2.22 0.00 0.00 0.04 0.00 0.00 61.00 64.43 1poz s PRO 61 Cb -1.18 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1poz s PRO 61 CO 0.57 -0.34 0.00 2.41 0.04 0.00 0.00 177.00 179.68 1poz n THR 62 N 2.13 0.00 0.34 1.26 -1.04 -1.26 -0.64 114.28 115.07 1poz n THR 62 Ca 0.05 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.21 1poz n THR 62 Cb 0.41 -0.54 0.59 0.00 -1.82 0.00 0.00 70.33 68.97 1poz n THR 62 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1poz h MET 63 N 0.00 0.00 0.17 -2.82 2.86 -1.99 -2.60 114.93 110.55 1poz h MET 63 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1poz h MET 63 Cb 0.00 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.69 1poz h MET 63 CO 0.00 0.00 -1.01 0.00 1.06 0.00 0.00 176.91 176.96 1poz h ALA 64 N 2.15 -0.11 -0.44 6.32 0.00 -1.98 -2.08 119.26 123.11 1poz h ALA 64 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 1poz h ALA 64 Cb 0.40 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1poz h ALA 64 CO 0.00 0.47 -0.25 1.96 0.00 0.00 0.00 179.25 181.43 1poz h GLN 65 N -0.23 0.91 0.03 0.00 7.50 -1.89 -2.30 115.11 119.14 1poz h GLN 65 Ca -0.18 -0.40 -0.00 0.00 0.50 0.00 0.00 58.65 58.57 1poz h GLN 65 Cb 1.79 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 29.30 1poz h GLN 65 CO 0.19 1.05 -0.02 0.52 -1.50 0.00 0.00 178.83 179.07 1poz h MET 66 N 0.78 -0.04 0.10 1.46 2.86 -1.59 -2.43 114.93 116.07 1poz h MET 66 Ca 0.10 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1poz h MET 66 Cb 0.81 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1poz h MET 66 CO 0.07 0.55 -0.31 0.93 1.06 0.00 0.00 176.91 179.21 1poz h GLU 67 N -0.68 -0.50 -0.15 1.72 5.08 -1.42 1.73 114.58 120.36 1poz h GLU 67 Ca -0.00 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1poz h GLU 67 Cb 0.61 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1poz h GLU 67 CO 0.01 -0.33 -0.05 0.87 -1.00 0.00 0.00 179.01 178.50 1poz h LYS 68 N -0.52 -0.02 0.00 2.33 1.57 -1.53 0.97 116.57 119.37 1poz h LYS 68 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1poz h LYS 68 Cb 0.56 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1poz h LYS 68 CO -0.20 -0.02 -0.10 0.00 -0.57 0.00 0.00 179.45 178.56 1poz h ALA 69 N 1.12 1.15 0.00 3.86 0.00 -1.05 -1.39 119.26 122.94 1poz h ALA 69 Ca 0.08 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1poz h ALA 69 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1poz h ALA 69 CO -0.17 0.13 -1.24 -0.07 0.00 0.00 0.00 179.25 177.90 1poz h LEU 70 N 0.00 0.00 -0.20 0.00 -0.00 0.46 -0.82 115.31 114.75 1poz h LEU 70 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1poz h LEU 70 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1poz h LEU 70 CO 0.01 0.84 -0.19 -1.20 -0.00 0.00 0.00 178.44 177.90 1poz n SER 71 N -3.13 0.50 -0.22 -0.43 7.64 0.32 -3.27 113.62 115.03 1poz n SER 71 Ca -0.07 -0.42 0.08 0.00 1.01 0.00 0.00 58.87 59.47 1poz n SER 71 Cb 0.93 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 64.04 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1poz n ILE 72 N -1.08 0.00 -0.14 0.44 -6.64 -0.58 -5.01 119.36 106.36 1poz n ILE 72 Ca 0.11 -0.22 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 1poz n ILE 72 Cb 0.31 1.11 0.00 0.00 -1.44 0.00 0.00 39.64 39.62 1poz n ILE 72 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1poz n GLY 73 N 1.29 0.81 2.62 3.28 0.00 -1.17 -4.94 105.19 107.08 1poz n GLY 73 Ca 0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1poz n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1poz s PHE 74 N -2.09 0.16 0.01 1.61 5.36 -0.32 -4.99 117.98 117.72 1poz s PHE 74 Ca 0.00 -0.23 -0.02 0.00 -0.96 0.00 0.00 56.93 55.71 1poz s PHE 74 Cb 0.00 -0.66 -0.01 0.00 -0.34 0.00 0.00 43.02 42.01 1poz s PHE 74 CO 0.00 -0.48 0.02 -2.00 -1.46 0.00 0.00 175.22 171.30 1poz s GLU 75 N 2.15 0.36 0.00 10.12 2.12 -1.26 -4.40 118.70 127.78 1poz s GLU 75 Ca 0.02 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1poz s GLU 75 Cb -0.16 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.37 1poz s GLU 75 CO -0.09 -0.07 0.00 0.25 -0.54 0.00 0.00 175.26 174.82 1poz n THR 76 N 1.57 0.00 -1.95 -1.70 -2.24 -1.26 -5.01 114.28 103.69 1poz n THR 76 Ca -0.24 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 1poz n THR 76 Cb 0.55 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1poz n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz s ARG 78 N -4.23 0.73 -0.72 0.00 0.52 -1.26 -4.92 118.95 109.06 1poz s ARG 78 Ca 0.00 -1.03 -0.26 0.00 -0.52 0.00 0.00 55.73 53.93 1poz s ARG 78 Cb 0.00 -0.43 -0.07 0.00 0.52 0.00 0.00 34.95 34.97 1poz s ARG 78 CO 0.00 0.06 2.15 0.71 0.02 0.00 0.00 175.30 178.24 1poz s TYR 79 N -2.15 1.44 -0.19 -0.53 2.02 -1.26 -4.62 117.35 112.06 1poz s TYR 79 Ca 0.00 1.22 -0.08 0.00 -0.37 0.00 0.00 57.07 57.85 1poz s TYR 79 Cb -0.05 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 37.68 1poz s TYR 79 CO -0.00 -1.98 0.08 0.20 -1.57 0.00 0.00 175.55 172.27 1poz s GLY 80 N 9.66 1.91 0.58 0.71 0.00 0.94 -1.36 107.32 119.76 1poz s GLY 80 Ca 0.81 -0.79 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 1poz s GLY 80 CO 0.12 0.13 1.26 0.33 0.00 0.00 0.00 173.10 174.94 1poz n PHE 81 N 3.72 1.90 -3.61 1.90 7.35 0.18 -0.12 117.46 128.78 1poz n PHE 81 Ca -0.16 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1poz n PHE 81 Cb 0.52 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 38.06 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1poz n ILE 82 N -1.37 0.00 -0.20 -2.13 0.13 0.88 -1.63 119.36 115.04 1poz n ILE 82 Ca 0.12 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.76 1poz n ILE 82 Cb 0.46 0.00 0.10 0.00 -0.84 0.00 0.00 39.64 39.35 1poz n ILE 82 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1poz h GLU 83 N 0.00 0.45 0.00 9.51 4.39 -1.16 -3.28 114.58 124.49 1poz h GLU 83 Ca 0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1poz h GLU 83 Cb 0.00 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1poz h GLU 83 CO 0.00 0.30 -0.35 0.78 -1.16 0.00 0.00 179.01 178.58 1poz h GLY 84 N 0.47 0.00 0.00 -3.84 0.00 -1.96 -3.50 103.07 94.23 1poz h GLY 84 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1poz h GLY 84 CO -0.26 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.70 1poz n HIS 85 N -4.67 -0.12 -1.69 5.60 8.25 -1.24 -5.13 115.22 116.22 1poz n HIS 85 Ca -0.05 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.96 1poz n HIS 85 Cb 0.19 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 1poz n HIS 85 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1poz n VAL 86 N 0.00 0.19 -4.13 1.59 3.14 -1.26 -0.08 118.33 117.77 1poz n VAL 86 Ca 0.00 -0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.24 1poz n VAL 86 Cb 0.00 -1.84 -0.09 0.00 -1.06 0.00 0.00 33.84 30.85 1poz n VAL 86 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1poz s VAL 87 N 1.94 0.07 -0.05 1.55 -7.23 0.83 -2.65 120.40 114.86 1poz s VAL 87 Ca 0.81 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1poz s VAL 87 Cb -0.59 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.25 1poz s VAL 87 CO 0.39 -0.33 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.14 1poz s ILE 88 N -4.06 0.71 -0.01 -0.62 1.01 0.39 -0.04 121.20 118.59 1poz s ILE 88 Ca 0.26 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 1poz s ILE 88 Cb 0.07 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.78 1poz s ILE 88 CO 0.04 0.26 1.45 -2.16 0.00 0.00 0.00 174.94 174.53 1poz s PRO 89 N 0.75 4.26 -0.44 2.79 0.04 -1.26 -2.43 135.00 138.70 1poz s PRO 89 Ca -0.12 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.01 1poz s PRO 89 Cb -0.14 -3.64 0.32 0.00 0.04 0.00 0.00 34.50 31.08 1poz s PRO 89 CO 0.01 -0.64 0.99 0.54 0.04 0.00 0.00 177.00 177.95 1poz n ARG 90 N 5.69 0.98 0.12 4.56 5.12 -1.26 -4.72 116.66 127.15 1poz n ARG 90 Ca 0.14 -2.30 0.08 0.00 -1.93 0.00 0.00 57.85 53.84 1poz n ARG 90 Cb 0.43 -1.23 0.42 0.00 -1.16 0.00 0.00 32.46 30.93 1poz n ARG 90 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1poz n ILE 91 N 0.46 1.23 -2.39 0.55 3.06 -1.26 -2.48 119.36 118.53 1poz n ILE 91 Ca 0.11 0.68 -0.30 0.00 -2.50 0.00 0.00 62.75 60.74 1poz n ILE 91 Cb 0.68 -1.68 -0.01 0.00 0.54 0.00 0.00 39.64 39.17 1poz n ILE 91 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1poz s HIS 92 N -3.38 3.53 0.04 9.51 3.76 -1.26 -4.99 115.29 122.49 1poz s HIS 92 Ca -0.02 1.20 -0.25 0.00 -0.15 0.00 0.00 55.06 55.84 1poz s HIS 92 Cb 0.04 -2.60 -0.17 0.00 1.11 0.00 0.00 32.58 30.96 1poz s HIS 92 CO 0.14 -0.39 1.48 -1.00 -0.85 0.00 0.00 174.74 174.12 1poz h PRO 93 N 0.50 -0.14 -5.49 8.40 0.13 -2.01 -3.42 132.00 129.97 1poz h PRO 93 Ca -0.46 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 1poz h PRO 93 Cb 1.19 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1poz h PRO 93 CO 0.62 0.09 -0.08 1.21 -0.23 0.00 0.00 178.00 179.62 1poz s ASN 94 N -5.27 6.52 0.00 1.44 2.47 -1.26 -4.74 114.94 114.10 1poz s ASN 94 Ca -0.15 0.62 0.00 0.00 0.42 0.00 0.00 52.86 53.75 1poz s ASN 94 Cb 0.04 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 1poz s ASN 94 CO 0.64 -0.17 0.88 -0.24 -3.72 0.00 0.00 177.10 174.49 1poz n SER 95 N 4.80 0.00 0.00 -4.21 2.88 -1.26 -4.80 113.62 111.03 1poz n SER 95 Ca -0.06 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1poz n SER 95 Cb 0.50 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1poz n SER 95 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1poz n ILE 96 N -1.78 0.00 0.00 2.46 5.41 -1.26 -4.55 119.36 119.63 1poz n ILE 96 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1poz n ILE 96 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1poz n ALA 98 N -2.46 0.00 -0.49 0.00 0.00 -1.26 -5.02 120.51 111.28 1poz n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 98 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1poz n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 99 N -1.37 0.00 0.04 0.00 0.00 -1.26 -5.09 120.51 112.83 1poz n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1poz n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1poz n ASN 100 N -1.71 0.06 -4.64 0.00 5.15 -1.26 -4.49 115.26 108.37 1poz n ASN 100 Ca 0.00 0.15 -0.43 0.00 -0.60 0.00 0.00 54.58 53.70 1poz n ASN 100 Cb 0.00 0.08 -0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1poz n ASN 100 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1poz n ASN 101 N -2.85 1.86 -4.41 1.20 5.15 -1.26 -4.16 115.26 110.78 1poz n ASN 101 Ca 0.00 1.15 -0.29 0.00 -0.60 0.00 0.00 54.58 54.84 1poz n ASN 101 Cb 0.00 -1.38 -0.13 0.00 -0.53 0.00 0.00 39.78 37.74 1poz n ASN 101 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1poz s THR 102 N -1.13 2.39 0.02 -0.44 -4.23 -1.26 -4.79 115.64 106.19 1poz s THR 102 Ca 0.59 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1poz s THR 102 Cb -0.61 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1poz s THR 102 CO 0.60 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 1poz n GLY 103 N 0.86 -3.58 4.05 3.99 0.00 -1.04 -4.71 105.19 104.76 1poz n GLY 103 Ca -0.17 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1poz n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1poz n VAL 104 N -0.18 -0.65 -2.07 1.61 3.14 -1.17 -4.77 118.33 114.24 1poz n VAL 104 Ca 0.00 -0.33 -0.42 0.00 -2.96 0.00 0.00 64.34 60.63 1poz n VAL 104 Cb 0.00 -0.75 -0.03 0.00 -1.06 0.00 0.00 33.84 32.00 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1poz s TYR 105 N -3.89 1.88 0.40 1.45 5.04 -1.02 -4.63 117.35 116.59 1poz s TYR 105 Ca 0.16 0.67 -0.15 0.00 -2.44 0.00 0.00 57.07 55.31 1poz s TYR 105 Cb -0.09 -4.15 -0.08 0.00 0.35 0.00 0.00 41.96 37.98 1poz s TYR 105 CO 0.85 -2.64 0.83 0.42 -1.34 0.00 0.00 175.55 173.67 1poz s ILE 106 N 7.10 4.64 -0.15 3.14 -1.09 -1.25 -0.46 121.20 133.13 1poz s ILE 106 Ca 0.74 0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 60.12 1poz s ILE 106 Cb -0.19 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 1poz s ILE 106 CO 0.31 -0.40 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.33 1poz s LEU 107 N -3.48 3.12 -0.50 2.97 2.96 -1.09 -4.96 118.68 117.70 1poz s LEU 107 Ca 0.55 -0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 54.11 1poz s LEU 107 Cb -0.10 -1.74 0.07 0.00 0.50 0.00 0.00 46.19 44.92 1poz s LEU 107 CO 0.23 0.17 0.54 -0.89 -1.32 0.00 0.00 176.35 175.09 1poz s THR 108 N 0.32 5.02 0.00 3.68 2.01 -1.26 -4.82 115.64 120.59 1poz s THR 108 Ca -0.05 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1poz s THR 108 Cb -0.15 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1poz s THR 108 CO 0.04 -0.75 0.00 -1.54 -0.69 0.00 0.00 174.62 171.67 1poz n SER 109 N 5.79 0.00 0.00 3.53 3.41 -1.26 -5.19 113.62 119.90 1poz n SER 109 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1poz n SER 109 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1poz n SER 109 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1poz n ASN 110 N -0.78 0.33 -4.49 4.04 0.23 -1.26 -5.15 115.26 108.17 1poz n ASN 110 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.69 1poz n ASN 110 Cb 0.00 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 37.77 1poz n ASN 110 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1poz n THR 111 N 0.00 2.11 -1.64 5.53 -1.04 -1.26 -4.84 114.28 113.14 1poz n THR 111 Ca 0.00 -0.42 -0.45 0.00 -2.04 0.00 0.00 64.05 61.15 1poz n THR 111 Cb 0.00 -0.80 -0.02 0.00 -1.82 0.00 0.00 70.33 67.69 1poz n THR 111 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1poz n SER 112 N -0.40 2.06 -2.66 8.00 3.41 -1.26 -4.89 113.62 117.88 1poz n SER 112 Ca 0.11 1.17 -0.03 0.00 -0.26 0.00 0.00 58.87 59.86 1poz n SER 112 Cb 0.49 -1.36 0.03 0.00 -0.26 0.00 0.00 64.21 63.11 1poz n SER 112 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1poz n GLN 113 N 1.23 0.12 0.00 4.33 7.27 0.07 -4.51 117.38 125.89 1poz n GLN 113 Ca 0.10 -0.65 0.00 0.00 0.07 0.00 0.00 57.00 56.52 1poz n GLN 113 Cb 0.32 -0.04 0.00 0.00 2.41 0.00 0.00 30.24 32.92 1poz n GLN 113 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1poz n TYR 114 N -0.17 0.00 -1.98 3.69 4.01 -1.13 -2.11 117.16 119.48 1poz n TYR 114 Ca -0.21 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.28 1poz n TYR 114 Cb 0.68 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.87 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1poz n ASP 115 N 0.00 0.33 -3.52 7.72 8.00 -0.47 -1.93 116.55 126.67 1poz n ASP 115 Ca 0.00 -1.55 -0.18 0.00 0.71 0.00 0.00 54.79 53.77 1poz n ASP 115 Cb 0.00 -0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 1poz n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1poz s THR 116 N -3.38 0.00 0.42 -3.53 -1.32 -1.02 0.50 115.64 107.31 1poz s THR 116 Ca 0.65 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.20 1poz s THR 116 Cb -0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 1poz s THR 116 CO 0.45 0.00 0.25 -0.31 -2.21 0.00 0.00 174.62 172.80 1poz s TYR 117 N -1.13 2.57 -0.30 9.09 1.51 -0.64 -0.71 117.35 127.73 1poz s TYR 117 Ca -0.10 -0.58 -0.15 0.00 -1.01 0.00 0.00 57.07 55.23 1poz s TYR 117 Cb -0.00 -2.02 0.16 0.00 -0.11 0.00 0.00 41.96 39.99 1poz s TYR 117 CO 0.10 0.05 0.99 0.00 -1.11 0.00 0.00 175.55 175.57 1poz s PHE 119 N 2.46 2.64 -0.21 0.00 2.19 -1.11 -2.37 117.98 121.58 1poz s PHE 119 Ca -0.02 0.28 -0.15 0.00 0.33 0.00 0.00 56.93 57.37 1poz s PHE 119 Cb -0.06 -4.41 -0.04 0.00 -1.31 0.00 0.00 43.02 37.20 1poz s PHE 119 CO -0.17 -1.55 0.34 0.54 1.83 0.00 0.00 175.22 176.20 1poz s ASN 120 N 2.97 6.37 0.00 6.13 4.22 -0.79 -2.26 114.94 131.59 1poz s ASN 120 Ca 0.39 0.43 0.00 0.00 -2.14 0.00 0.00 52.86 51.54 1poz s ASN 120 Cb -0.09 -2.20 0.01 0.00 1.28 0.00 0.00 41.25 40.25 1poz s ASN 120 CO 0.23 -0.03 0.85 0.00 -2.04 0.00 0.00 177.10 176.11 1poz n ALA 121 N 4.36 1.17 -0.61 3.54 0.00 -0.91 -3.40 120.51 124.66 1poz n ALA 121 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1poz n ALA 121 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1poz n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1poz n SER 122 N -1.34 0.00 -4.67 0.00 2.88 -1.26 -4.35 113.62 104.88 1poz n SER 122 Ca 0.00 0.69 -0.40 0.00 -1.33 0.00 0.00 58.87 57.84 1poz n SER 122 Cb 0.00 -0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 63.21 1poz n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1poz s ALA 123 N -3.00 3.52 1.19 -1.46 0.00 -1.22 -5.06 121.76 115.73 1poz s ALA 123 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1poz s ALA 123 Cb 0.00 -2.89 0.26 0.00 0.00 0.00 0.00 23.12 20.49 1poz s ALA 123 CO 0.00 -0.44 0.58 -2.30 0.00 0.00 0.00 175.76 173.60 1poz n PRO 124 N 4.76 -2.99 -1.69 0.00 -0.02 -1.26 -3.59 135.00 130.21 1poz n PRO 124 Ca -0.03 -0.98 -0.17 0.00 -2.02 0.00 0.00 63.50 60.30 1poz n PRO 124 Cb 0.50 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 1poz n PRO 124 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1poz s PRO 125 N -4.09 1.45 -0.23 0.52 0.04 -1.24 -1.93 135.00 129.52 1poz s PRO 125 Ca 0.45 -0.42 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 1poz s PRO 125 Cb -0.08 -5.00 0.16 0.00 0.04 0.00 0.00 34.50 29.62 1poz s PRO 125 CO 0.38 -5.10 1.17 -1.83 0.04 0.00 0.00 177.00 171.66 1poz s GLU 126 N 8.18 0.34 -0.06 4.56 -1.05 -1.17 -4.80 118.70 124.70 1poz s GLU 126 Ca 0.81 0.12 -0.30 0.00 -0.15 0.00 0.00 54.97 55.45 1poz s GLU 126 Cb -0.05 0.16 -0.06 0.00 -0.44 0.00 0.00 34.13 33.74 1poz s GLU 126 CO 0.16 -0.10 1.76 -1.21 0.95 0.00 0.00 175.26 176.82 1poz s GLU 127 N -0.89 4.07 -0.06 -4.83 2.02 -1.26 0.60 118.70 118.35 1poz s GLU 127 Ca 0.03 2.23 -0.02 0.00 0.02 0.00 0.00 54.97 57.23 1poz s GLU 127 Cb -0.01 -4.06 0.04 0.00 0.10 0.00 0.00 34.13 30.20 1poz s GLU 127 CO -0.04 -1.00 0.13 0.34 0.02 0.00 0.00 175.26 174.71 1poz s ASP 128 N 4.00 0.11 -0.16 -0.19 2.15 0.98 -4.76 116.67 118.80 1poz s ASP 128 Ca 0.79 0.25 0.17 0.00 0.43 0.00 0.00 52.55 54.19 1poz s ASP 128 Cb -0.35 0.15 0.46 0.00 -0.30 0.00 0.00 42.92 42.88 1poz s ASP 128 CO 0.33 -0.17 1.35 0.00 -0.17 0.00 0.00 175.17 176.51 1poz n THR 130 N -0.67 1.47 -1.56 0.00 -2.24 -1.26 -4.62 114.28 105.40 1poz n THR 130 Ca 0.19 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1poz n THR 130 Cb 0.81 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1poz n THR 130 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1poz n SER 131 N 1.81 1.38 0.00 3.42 3.41 -1.26 -4.83 113.62 117.55 1poz n SER 131 Ca 0.13 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1poz n SER 131 Cb 0.35 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 1poz n SER 131 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1poz n VAL 132 N 8.88 0.00 -0.32 -3.33 0.31 -1.26 -4.57 118.33 118.04 1poz n VAL 132 Ca 0.42 0.58 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 1poz n VAL 132 Cb 0.45 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1poz n THR 133 N -0.15 0.00 0.00 2.52 5.66 -1.26 -4.72 114.28 116.33 1poz n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1poz n THR 133 Cb 0.00 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1poz n THR 133 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1poz n ASP 134 N 1.27 0.00 -3.15 1.09 8.00 -1.26 -4.60 116.55 117.89 1poz n ASP 134 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1poz n ASP 134 Cb 0.14 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.29 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1poz n LEU 135 N -0.33 -2.88 0.00 0.64 4.77 -1.25 -4.81 117.00 113.13 1poz n LEU 135 Ca 0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1poz n LEU 135 Cb 0.00 -3.00 0.00 0.00 -2.33 0.00 0.00 43.42 38.09 1poz n LEU 135 CO 0.00 0.34 0.02 -2.65 -1.33 0.00 0.00 177.39 173.78 1poz n PRO 136 N -4.28 0.00 -0.08 3.23 -0.02 -0.63 -1.55 135.00 131.67 1poz n PRO 136 Ca -0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1poz n PRO 136 Cb 0.61 -1.05 0.25 0.00 -0.02 0.00 0.00 33.50 33.29 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1poz n ASN 137 N -0.51 2.68 -0.96 2.55 3.02 0.42 -4.93 115.26 117.53 1poz n ASN 137 Ca 0.00 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 1poz n ASN 137 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1poz n ALA 138 N 1.03 0.00 -2.45 5.41 0.00 -0.60 -4.80 120.51 119.11 1poz n ALA 138 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.36 1poz n ALA 138 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1poz n ALA 138 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1poz s PHE 139 N 1.21 2.49 0.66 0.00 -0.12 -1.07 -4.96 117.98 116.20 1poz s PHE 139 Ca 0.00 -0.63 -0.14 0.00 -0.05 0.00 0.00 56.93 56.11 1poz s PHE 139 Cb 0.00 -1.94 -0.00 0.00 -0.63 0.00 0.00 43.02 40.45 1poz s PHE 139 CO 0.00 0.13 1.09 -0.51 -0.05 0.00 0.00 175.22 175.88 1poz s ASP 140 N -3.93 5.23 0.00 1.98 1.11 -1.26 -0.61 116.67 119.18 1poz s ASP 140 Ca 0.39 1.88 0.00 0.00 0.18 0.00 0.00 52.55 55.00 1poz s ASP 140 Cb 0.03 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1poz s ASP 140 CO 0.21 -1.55 0.00 0.61 1.18 0.00 0.00 175.17 175.63 1poz n GLY 141 N -0.91 3.61 0.23 0.21 0.00 -1.11 -4.37 105.19 102.84 1poz n GLY 141 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1poz n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poz n PRO 142 N -0.99 0.42 -1.85 1.61 -0.02 -1.25 -1.15 135.00 131.77 1poz n PRO 142 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1poz n PRO 142 Cb 0.00 -1.10 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1poz n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1poz s ILE 143 N -1.53 3.31 -0.98 4.25 1.01 -0.74 -4.81 121.20 121.71 1poz s ILE 143 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.77 1poz s ILE 143 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1poz s ILE 143 CO 0.00 -0.11 1.93 -0.89 0.00 0.00 0.00 174.94 175.87 1poz s THR 144 N 5.58 3.49 -0.53 2.92 2.01 -1.14 -1.62 115.64 126.35 1poz s THR 144 Ca 0.84 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 62.09 1poz s THR 144 Cb -0.33 -4.18 0.05 0.00 0.01 0.00 0.00 72.50 68.05 1poz s THR 144 CO 0.34 -0.99 0.80 -0.63 -0.69 0.00 0.00 174.62 173.45 1poz s ILE 145 N 10.12 4.61 -0.18 1.82 1.01 0.12 -1.21 121.20 137.50 1poz s ILE 145 Ca 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 1poz s ILE 145 Cb -0.05 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 1poz s ILE 145 CO 0.02 -0.97 -0.09 -0.89 0.00 0.00 0.00 174.94 173.01 1poz s THR 146 N 3.35 3.13 -0.38 2.92 2.01 -1.16 -0.13 115.64 125.38 1poz s THR 146 Ca 0.24 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1poz s THR 146 Cb -0.15 -2.37 0.07 0.00 0.01 0.00 0.00 72.50 70.06 1poz s THR 146 CO 0.16 0.48 0.17 0.27 -0.69 0.00 0.00 174.62 175.01 1poz s ILE 147 N 0.94 3.68 -0.23 1.82 -0.00 0.74 0.82 121.20 128.97 1poz s ILE 147 Ca -0.02 -1.51 -0.25 0.00 -0.00 0.00 0.00 60.65 58.88 1poz s ILE 147 Cb -0.15 -3.26 -0.01 0.00 -0.00 0.00 0.00 42.46 39.05 1poz s ILE 147 CO -0.00 -0.42 0.83 -0.69 -0.00 0.00 0.00 174.94 174.66 1poz s VAL 148 N 1.32 4.85 -0.80 8.37 1.01 0.30 -1.37 120.40 134.07 1poz s VAL 148 Ca 0.02 1.58 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 1poz s VAL 148 Cb -0.22 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1poz s VAL 148 CO 0.00 -0.05 1.32 0.21 0.00 0.00 0.00 175.10 176.58 1poz s ASN 149 N 1.30 6.23 -0.65 3.32 3.04 0.16 0.18 114.94 128.51 1poz s ASN 149 Ca 0.36 -0.68 0.00 0.00 0.04 0.00 0.00 52.86 52.58 1poz s ASN 149 Cb -0.16 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 36.99 1poz s ASN 149 CO 0.08 -1.77 0.00 0.54 -3.04 0.00 0.00 177.10 172.92 1poz n ARG 150 N 9.27 -1.60 -0.87 0.43 5.12 0.43 0.13 116.66 129.57 1poz n ARG 150 Ca 0.10 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 1poz n ARG 150 Cb 0.49 -4.41 0.00 0.00 -1.16 0.00 0.00 32.46 27.38 1poz n ARG 150 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1poz n ASP 151 N 0.22 -2.50 -0.04 0.55 2.03 -1.26 -4.93 116.55 110.62 1poz n ASP 151 Ca -0.06 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.19 1poz n ASP 151 Cb 0.33 -0.42 -0.04 0.00 -0.72 0.00 0.00 41.12 40.26 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1poz n GLY 152 N -2.80 -0.14 2.65 0.27 0.00 0.34 -4.98 105.19 100.53 1poz n GLY 152 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1poz n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1poz s THR 153 N -2.17 -0.20 0.07 2.61 -4.23 -1.07 -4.93 115.64 105.71 1poz s THR 153 Ca -0.10 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1poz s THR 153 Cb 0.03 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 1poz s THR 153 CO 0.20 -0.46 0.15 0.00 -0.54 0.00 0.00 174.62 173.98 1poz s ARG 154 N 2.22 3.20 0.13 3.99 3.03 -1.26 0.35 118.95 130.61 1poz s ARG 154 Ca 0.07 -0.54 0.04 0.00 2.03 0.00 0.00 55.73 57.33 1poz s ARG 154 Cb -0.15 -2.91 -0.04 0.00 -1.03 0.00 0.00 34.95 30.82 1poz s ARG 154 CO -0.25 0.59 -0.10 1.52 -1.13 0.00 0.00 175.30 175.93 1poz s TYR 155 N -1.45 1.19 0.01 5.89 1.13 -0.47 -4.92 117.35 118.72 1poz s TYR 155 Ca 0.32 -0.71 0.07 0.00 -1.41 0.00 0.00 57.07 55.34 1poz s TYR 155 Cb -0.13 -0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 40.09 1poz s TYR 155 CO 0.25 0.05 -0.21 0.08 -2.51 0.00 0.00 175.55 173.21 1poz s VAL 156 N -2.92 1.66 0.03 -3.49 1.01 -1.26 -0.19 120.40 115.24 1poz s VAL 156 Ca 0.12 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1poz s VAL 156 Cb 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 35.03 1poz s VAL 156 CO 0.00 0.36 0.52 -1.58 0.00 0.00 0.00 175.10 174.40 1poz s GLN 157 N -0.77 1.01 -0.25 2.72 0.74 0.82 -4.97 119.66 118.95 1poz s GLN 157 Ca 0.08 -0.19 -0.11 0.00 0.05 0.00 0.00 55.36 55.19 1poz s GLN 157 Cb -0.08 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.44 1poz s GLN 157 CO 0.00 -0.36 0.19 0.21 -0.55 0.00 0.00 175.29 174.79 1poz s LYS 158 N -2.26 4.04 0.00 1.67 2.20 -1.26 0.15 119.74 124.28 1poz s LYS 158 Ca -0.06 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1poz s LYS 158 Cb -0.01 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1poz s LYS 158 CO -0.00 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 1poz n GLY 159 N 4.53 3.94 3.64 5.54 0.00 -0.30 -4.66 105.19 117.88 1poz n GLY 159 Ca -0.14 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 1poz n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1poz s GLU 160 N 3.20 0.62 -0.00 1.61 0.41 0.21 -1.80 118.70 122.96 1poz s GLU 160 Ca 0.00 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.47 1poz s GLU 160 Cb 0.00 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 1poz s GLU 160 CO 0.00 -0.10 0.12 2.48 -0.49 0.00 0.00 175.26 177.27 1poz n TYR 161 N 3.31 -0.00 0.04 1.61 4.11 -1.26 -2.61 117.16 122.36 1poz n TYR 161 Ca -0.17 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.90 57.68 1poz n TYR 161 Cb 0.57 0.28 0.00 0.00 -0.00 0.00 0.00 39.34 40.19 1poz n TYR 161 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1poz n ARG 162 N -0.00 1.00 0.00 -3.48 1.85 -1.26 -4.32 116.66 110.45 1poz n ARG 162 Ca -0.03 -0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.87 1poz n ARG 162 Cb 0.31 -1.00 0.31 0.00 -1.05 0.00 0.00 32.46 31.02 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1poz n THR 163 N 1.14 0.00 -3.51 8.89 -1.04 -1.26 -3.73 114.28 114.77 1poz n THR 163 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1poz n THR 163 Cb 0.50 -0.70 -0.10 0.00 -1.82 0.00 0.00 70.33 68.21 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1poz n ASN 164 N -0.90 1.50 0.23 8.00 4.05 -1.26 -4.92 115.26 121.95 1poz n ASN 164 Ca 0.08 -2.89 0.14 0.00 0.45 0.00 0.00 54.58 52.36 1poz n ASN 164 Cb 0.04 -0.65 0.41 0.00 1.23 0.00 0.00 39.78 40.81 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1poz h PRO 165 N 4.95 0.00 0.00 1.20 0.13 -1.96 -3.09 132.00 133.23 1poz h PRO 165 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1poz h PRO 165 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1poz h PRO 165 CO 0.58 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.44 1poz n GLU 166 N -2.99 0.15 0.08 0.86 0.00 -1.26 -1.41 120.64 116.07 1poz n GLU 166 Ca 0.03 0.48 0.12 0.00 0.00 0.00 0.00 57.16 57.79 1poz n GLU 166 Cb 0.42 -1.85 0.23 0.00 0.00 0.00 0.00 31.44 30.24 1poz n GLU 166 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1poz h ASP 167 N 0.00 0.00 0.00 4.31 1.82 -1.90 -3.33 116.42 117.31 1poz h ASP 167 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1poz h ASP 167 Cb 0.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.23 1poz h ASP 167 CO 0.00 0.07 -0.17 -0.38 -1.61 0.00 0.00 179.24 177.14 1poz n ILE 168 N -2.23 0.31 -3.61 2.25 5.41 -0.50 -4.82 119.36 116.17 1poz n ILE 168 Ca 0.04 0.43 -0.38 0.00 1.00 0.00 0.00 62.75 63.84 1poz n ILE 168 Cb 0.45 -1.69 -0.06 0.00 -0.71 0.00 0.00 39.64 37.63 1poz n ILE 168 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1poz s TYR 169 N -1.35 3.78 0.37 1.39 -0.85 -1.06 -5.07 117.35 114.55 1poz s TYR 169 Ca -0.05 -2.84 -0.26 0.00 -0.52 0.00 0.00 57.07 53.40 1poz s TYR 169 Cb 0.01 -3.32 -0.09 0.00 0.38 0.00 0.00 41.96 38.93 1poz s TYR 169 CO 0.07 -0.80 1.08 -1.25 -1.52 0.00 0.00 175.55 173.13 1poz s PRO 170 N -0.89 4.28 0.02 -3.49 0.04 -1.25 -4.76 135.00 128.95 1poz s PRO 170 Ca 0.24 1.64 0.22 0.00 0.04 0.00 0.00 61.00 63.15 1poz s PRO 170 Cb -0.11 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1poz s PRO 170 CO -0.09 -0.07 0.98 -1.13 0.04 0.00 0.00 177.00 176.73 1poz n SER 171 N 0.31 0.65 -4.90 6.66 3.41 -1.26 -4.92 113.62 113.57 1poz n SER 171 Ca 0.03 -0.43 -0.34 0.00 -0.26 0.00 0.00 58.87 57.87 1poz n SER 171 Cb 0.48 0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 65.29 1poz n SER 171 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1poz s ASN 172 N -3.60 6.42 0.44 4.04 0.01 -1.26 -5.08 114.94 115.91 1poz s ASN 172 Ca 0.05 0.43 -0.25 0.00 -0.71 0.00 0.00 52.86 52.38 1poz s ASN 172 Cb 0.15 -2.04 -0.08 0.00 0.41 0.00 0.00 41.25 39.70 1poz s ASN 172 CO 0.82 0.26 1.27 -2.16 -1.51 0.00 0.00 177.10 175.77 1poz s PRO 173 N -1.87 3.81 1.05 -0.60 0.04 -1.26 -5.01 135.00 131.17 1poz s PRO 173 Ca 0.27 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1poz s PRO 173 Cb -0.13 -2.60 0.22 0.00 0.04 0.00 0.00 34.50 32.03 1poz s PRO 173 CO 0.18 -0.59 1.07 0.95 0.04 0.00 0.00 177.00 178.65 1poz s THR 174 N -1.34 2.16 -0.07 1.26 -4.23 -1.26 -4.99 115.64 107.17 1poz s THR 174 Ca 0.60 0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.29 1poz s THR 174 Cb -0.36 -2.25 -0.19 0.00 1.34 0.00 0.00 72.50 71.05 1poz s THR 174 CO 0.45 -0.07 0.18 -0.67 -0.54 0.00 0.00 174.62 173.97 1poz n ASP 175 N -4.51 1.90 0.01 3.99 2.03 -1.26 -4.87 116.55 113.84 1poz n ASP 175 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1poz n ASP 175 Cb 0.55 1.26 0.00 0.00 -0.72 0.00 0.00 41.12 42.20 1poz n ASP 175 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1poz n ASP 176 N -2.19 0.02 -4.71 1.67 9.92 -1.26 -5.08 116.55 114.92 1poz n ASP 176 Ca -0.11 0.04 -0.43 0.00 -0.53 0.00 0.00 54.79 53.77 1poz n ASP 176 Cb 0.60 0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 41.08 1poz n ASP 176 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1poz n ASP 177 N -2.74 3.42 0.00 -2.24 2.03 -1.26 -5.32 116.55 110.45 1poz n ASP 177 Ca 0.00 1.13 0.12 0.00 0.52 0.00 0.00 54.79 56.56 1poz n ASP 177 Cb 0.13 -1.52 0.72 0.00 -0.72 0.00 0.00 41.12 39.73 1poz n ASP 177 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61