#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fmd h ASN 2 N 0.00 0.00 -4.73 0.00 4.21 -1.93 -3.41 115.58 109.73 2fmd h ASN 2 Ca 0.00 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.42 2fmd h ASN 2 Cb 0.00 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.00 2fmd h ASN 2 CO 0.00 0.31 -0.09 -0.94 -1.29 0.00 0.00 177.43 175.41 2fmd s SER 3 N -6.32 -0.42 -0.19 5.81 1.04 -1.26 0.80 113.70 113.16 2fmd s SER 3 Ca 0.01 0.51 -0.19 0.00 0.48 0.00 0.00 55.95 56.75 2fmd s SER 3 Cb 0.10 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.83 2fmd s SER 3 CO 0.67 -0.43 0.55 0.54 0.98 0.00 0.00 173.24 175.54 2fmd s VAL 4 N -0.89 0.00 -0.07 5.02 0.11 -0.05 -5.00 120.40 119.53 2fmd s VAL 4 Ca -0.09 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 2fmd s VAL 4 Cb -0.03 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 2fmd s VAL 4 CO 0.05 -0.01 0.26 0.00 -3.33 0.00 0.00 175.10 172.08 2fmd s PHE 6 N -0.37 -0.25 -0.02 0.00 -0.12 -0.55 -4.99 117.98 111.67 2fmd s PHE 6 Ca -0.05 0.33 0.01 0.00 -0.05 0.00 0.00 56.93 57.17 2fmd s PHE 6 Cb -0.03 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.54 2fmd s PHE 6 CO 0.01 -0.47 -0.00 0.99 -0.05 0.00 0.00 175.22 175.70 2fmd s THR 7 N -1.68 0.18 -0.24 -4.49 2.01 -1.26 -1.03 115.64 109.14 2fmd s THR 7 Ca -0.11 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 2fmd s THR 7 Cb -0.03 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.25 2fmd s THR 7 CO 0.03 0.13 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.63 2fmd s PHE 8 N 0.84 3.05 -0.19 4.92 0.08 0.10 -4.95 117.98 121.83 2fmd s PHE 8 Ca -0.08 -1.70 0.19 0.00 0.12 0.00 0.00 56.93 55.46 2fmd s PHE 8 Cb -0.12 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 2fmd s PHE 8 CO -0.01 -0.77 1.03 1.79 -0.10 0.00 0.00 175.22 177.16 2fmd h THR 9 N 6.21 0.29 -2.75 0.64 1.35 -1.86 0.71 112.91 117.49 2fmd h THR 9 Ca -0.33 -1.53 0.06 0.00 -0.55 0.00 0.00 66.41 64.07 2fmd h THR 9 Cb 1.10 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 2fmd h THR 9 CO 0.57 0.16 0.43 -0.90 -0.25 0.00 0.00 175.52 175.53 2fmd n ASP 10 N -2.85 -1.98 -4.24 5.36 5.68 -1.26 -4.50 116.55 112.77 2fmd n ASP 10 Ca -0.04 -2.22 -0.13 0.00 -0.50 0.00 0.00 54.79 51.90 2fmd n ASP 10 Cb 0.69 3.26 -0.10 0.00 -1.14 0.00 0.00 41.12 43.82 2fmd n ASP 10 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2fmd s PHE 11 N -2.25 1.20 0.18 2.11 0.08 -0.70 -5.01 117.98 113.59 2fmd s PHE 11 Ca 0.19 -0.94 0.05 0.00 0.12 0.00 0.00 56.93 56.34 2fmd s PHE 11 Cb -0.04 -0.67 -0.05 0.00 -0.57 0.00 0.00 43.02 41.69 2fmd s PHE 11 CO 0.08 -0.13 -0.08 -1.83 -0.10 0.00 0.00 175.22 173.17 2fmd s GLU 12 N -3.86 1.19 0.25 0.44 -1.05 -1.26 -4.45 118.70 109.95 2fmd s GLU 12 Ca 0.21 -1.55 -0.31 0.00 -0.15 0.00 0.00 54.97 53.17 2fmd s GLU 12 Cb 0.05 -0.71 -0.12 0.00 -0.44 0.00 0.00 34.13 32.92 2fmd s GLU 12 CO 0.02 0.04 1.67 0.45 0.95 0.00 0.00 175.26 178.39 2fmd s SER 13 N -3.24 6.37 0.00 0.83 0.15 -1.26 -1.52 113.70 115.03 2fmd s SER 13 Ca 0.21 2.91 0.00 0.00 0.70 0.00 0.00 55.95 59.78 2fmd s SER 13 Cb 0.03 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2fmd s SER 13 CO 0.04 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2fmd n GLY 14 N 3.13 0.81 0.00 9.45 0.00 -1.26 -4.83 105.19 112.49 2fmd n GLY 14 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2fmd n GLY 14 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2fmd n GLN 15 N -2.13 0.00 0.05 1.61 -0.06 -0.57 -4.69 117.38 111.58 2fmd n GLN 15 Ca 0.00 0.00 0.20 0.00 -2.00 0.00 0.00 57.00 55.20 2fmd n GLN 15 Cb 0.01 0.00 0.73 0.00 -4.06 0.00 0.00 30.24 26.92 2fmd n GLN 15 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2fmd h GLN 16 N 0.00 0.00 -0.71 3.69 4.20 -1.89 -1.82 115.11 118.58 2fmd h GLN 16 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fmd h GLN 16 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2fmd h GLN 16 CO 0.00 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 177.76 2fmd n ASP 17 N -4.11 4.34 -4.23 1.46 5.75 -1.26 -4.86 116.55 113.65 2fmd n ASP 17 Ca 0.08 -2.66 -0.24 0.00 -0.01 0.00 0.00 54.79 51.96 2fmd n ASP 17 Cb 0.57 -0.63 -0.14 0.00 -1.03 0.00 0.00 41.12 39.89 2fmd n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2fmd s LEU 18 N -1.95 2.18 -0.28 -2.12 1.43 -0.69 -1.31 118.68 115.94 2fmd s LEU 18 Ca 0.38 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2fmd s LEU 18 Cb 0.29 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 2fmd s LEU 18 CO 0.11 0.12 0.15 -0.63 0.23 0.00 0.00 176.35 176.34 2fmd s ILE 19 N -0.83 4.91 -0.10 -0.59 1.01 0.17 -4.79 121.20 120.98 2fmd s ILE 19 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 2fmd s ILE 19 Cb -0.09 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2fmd s ILE 19 CO 0.02 0.24 0.29 -0.36 0.00 0.00 0.00 174.94 175.13 2fmd s PHE 20 N 1.70 3.57 0.05 3.97 0.08 -1.26 -1.05 117.98 125.04 2fmd s PHE 20 Ca 0.06 0.70 0.05 0.00 0.12 0.00 0.00 56.93 57.86 2fmd s PHE 20 Cb -0.16 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 2fmd s PHE 20 CO 0.08 0.48 -0.14 -0.65 -0.10 0.00 0.00 175.22 174.89 2fmd s GLN 21 N -0.34 0.88 7.17 0.44 -0.21 0.53 -5.00 119.66 123.14 2fmd s GLN 21 Ca 0.18 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.76 2fmd s GLN 21 Cb -0.14 -0.89 0.00 0.00 1.00 0.00 0.00 33.01 32.99 2fmd s GLN 21 CO 0.07 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 2fmd n GLY 22 N 1.73 2.75 0.17 3.09 0.00 -1.26 -1.27 105.19 110.40 2fmd n GLY 22 Ca -0.19 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.67 2fmd n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fmd n ASP 23 N 4.80 0.79 -4.62 1.61 8.00 0.24 -4.93 116.55 122.44 2fmd n ASP 23 Ca 0.00 -0.67 -0.47 0.00 0.71 0.00 0.00 54.79 54.36 2fmd n ASP 23 Cb 0.00 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 2fmd n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fmd n ALA 24 N -0.88 0.06 -3.83 2.24 0.00 -0.99 -4.55 120.51 112.57 2fmd n ALA 24 Ca 0.11 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.93 2fmd n ALA 24 Cb 0.33 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2fmd n ALA 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fmd s SER 25 N 0.09 -0.11 -0.16 0.00 1.04 -0.79 -4.70 113.70 109.07 2fmd s SER 25 Ca 0.70 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 2fmd s SER 25 Cb -0.76 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2fmd s SER 25 CO 0.52 -1.32 -0.05 -0.69 0.98 0.00 0.00 173.24 172.67 2fmd s VAL 26 N -2.94 3.68 0.74 5.02 1.01 -1.26 -0.23 120.40 126.42 2fmd s VAL 26 Ca 0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2fmd s VAL 26 Cb -0.04 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 33.85 2fmd s VAL 26 CO 0.07 0.49 1.03 -0.83 0.00 0.00 0.00 175.10 175.86 2fmd s GLY 27 N 0.48 1.76 0.46 4.51 0.00 -0.84 -4.57 107.32 109.13 2fmd s GLY 27 Ca -0.05 -1.50 0.31 0.00 0.00 0.00 0.00 44.72 43.48 2fmd s GLY 27 CO 0.03 -0.95 1.95 1.48 0.00 0.00 0.00 173.10 175.61 2fmd h SER 28 N -0.66 0.00 0.23 1.64 4.64 -1.98 -0.19 113.55 117.23 2fmd h SER 28 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2fmd h SER 28 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2fmd h SER 28 CO 0.43 0.00 -0.00 -0.46 -0.87 0.00 0.00 176.83 175.93 2fmd n ASN 29 N -2.66 0.02 -0.96 4.97 2.04 -1.26 -4.89 115.26 112.52 2fmd n ASN 29 Ca -0.01 -0.66 -0.11 0.00 -0.44 0.00 0.00 54.58 53.36 2fmd n ASN 29 Cb 0.14 -0.11 -0.04 0.00 -2.53 0.00 0.00 39.78 37.24 2fmd n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2fmd n LYS 30 N -1.10 -0.81 -4.08 -3.83 5.02 -0.08 -4.99 118.16 108.28 2fmd n LYS 30 Ca 0.20 0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 57.01 2fmd n LYS 30 Cb 0.17 -4.83 -0.07 0.00 -0.02 0.00 0.00 35.03 30.27 2fmd n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fmd s ALA 31 N -2.45 3.46 -0.66 7.82 0.00 -1.26 -1.73 121.76 126.94 2fmd s ALA 31 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 2fmd s ALA 31 Cb 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.81 2fmd s ALA 31 CO 0.00 0.73 1.17 -1.17 0.00 0.00 0.00 175.76 176.49 2fmd s LEU 32 N -2.33 3.53 -0.81 0.00 2.96 0.47 -1.99 118.68 120.52 2fmd s LEU 32 Ca 0.28 -0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 53.60 2fmd s LEU 32 Cb -0.12 -2.73 0.09 0.00 0.50 0.00 0.00 46.19 43.93 2fmd s LEU 32 CO 0.20 -1.61 1.10 -1.10 -1.32 0.00 0.00 176.35 173.62 2fmd s GLN 33 N 5.07 3.37 0.23 1.98 -0.21 0.68 -0.67 119.66 130.11 2fmd s GLN 33 Ca 0.35 -1.22 -0.07 0.00 0.02 0.00 0.00 55.36 54.43 2fmd s GLN 33 Cb -0.10 -4.63 0.24 0.00 1.00 0.00 0.00 33.01 29.52 2fmd s GLN 33 CO 0.18 -1.86 1.89 -0.07 -2.12 0.00 0.00 175.29 173.31 2fmd h LEU 34 N 11.20 0.98 -9.68 2.90 3.38 -1.46 -2.11 115.31 120.52 2fmd h LEU 34 Ca -0.05 -0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 2fmd h LEU 34 Cb 1.04 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2fmd h LEU 34 CO 1.18 0.69 -0.60 0.42 0.09 0.00 0.00 178.44 180.22 2fmd s THR 35 N -6.11 3.85 0.24 0.22 -4.23 -1.26 -2.35 115.64 106.00 2fmd s THR 35 Ca -0.13 -1.68 -0.31 0.00 -1.18 0.00 0.00 61.69 58.39 2fmd s THR 35 Cb 0.17 -3.06 -0.11 0.00 1.34 0.00 0.00 72.50 70.83 2fmd s THR 35 CO 0.80 -0.34 1.66 -0.75 -0.54 0.00 0.00 174.62 175.44 2fmd s LYS 36 N -3.68 4.13 -0.07 3.99 2.20 -1.26 -4.78 119.74 120.28 2fmd s LYS 36 Ca 0.32 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 2fmd s LYS 36 Cb -0.07 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 2fmd s LYS 36 CO 0.22 -0.69 -0.05 0.08 -0.36 0.00 0.00 175.35 174.55 2fmd s VAL 37 N 0.72 0.65 1.07 4.02 1.01 -1.26 -0.24 120.40 126.38 2fmd s VAL 37 Ca 0.70 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.38 2fmd s VAL 37 Cb -0.48 -0.70 0.23 0.00 0.00 0.00 0.00 36.38 35.43 2fmd s VAL 37 CO 0.38 0.28 1.17 1.51 0.00 0.00 0.00 175.10 178.43 2fmd s ASP 38 N 1.32 2.11 0.47 3.32 1.47 -0.14 -4.82 116.67 120.39 2fmd s ASP 38 Ca -0.04 0.64 0.22 0.00 1.18 0.00 0.00 52.55 54.55 2fmd s ASP 38 Cb -0.14 -0.93 1.24 0.00 -0.34 0.00 0.00 42.92 42.75 2fmd s ASP 38 CO -0.02 -3.39 1.90 0.77 0.68 0.00 0.00 175.17 175.10 2fmd h SER 39 N -2.08 0.23 0.69 2.11 4.64 -2.02 0.36 113.55 117.49 2fmd h SER 39 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2fmd h SER 39 Cb 1.29 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2fmd h SER 39 CO 0.42 0.10 -0.12 0.29 -0.87 0.00 0.00 176.83 176.65 2fmd n LYS 40 N -4.42 0.22 -0.37 4.77 4.01 -1.26 -4.91 118.16 116.21 2fmd n LYS 40 Ca 0.17 -0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2fmd n LYS 40 Cb 0.72 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 2fmd n LYS 40 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2fmd n GLY 41 N 1.42 0.79 3.64 0.72 0.00 0.13 -5.06 105.19 106.82 2fmd n GLY 41 Ca 0.09 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2fmd n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fmd s ASN 42 N -2.21 6.48 0.33 1.61 0.01 -1.25 -4.78 114.94 115.14 2fmd s ASN 42 Ca 0.00 0.58 -0.29 0.00 -0.71 0.00 0.00 52.86 52.44 2fmd s ASN 42 Cb 0.00 -2.28 -0.11 0.00 0.41 0.00 0.00 41.25 39.27 2fmd s ASN 42 CO 0.00 -0.24 1.39 -2.16 -1.51 0.00 0.00 177.10 174.59 2fmd s PRO 43 N 2.00 4.25 0.17 -0.60 0.04 -1.26 -0.97 135.00 138.63 2fmd s PRO 43 Ca 0.22 2.36 -0.05 0.00 0.04 0.00 0.00 61.00 63.56 2fmd s PRO 43 Cb -0.15 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 2fmd s PRO 43 CO 0.09 -0.35 0.42 -0.65 0.04 0.00 0.00 177.00 176.55 2fmd s GLN 44 N -1.65 3.65 0.77 4.56 -1.52 0.67 -4.77 119.66 121.36 2fmd s GLN 44 Ca 0.52 -0.03 -0.10 0.00 -1.95 0.00 0.00 55.36 53.80 2fmd s GLN 44 Cb -0.43 -2.80 0.07 0.00 -0.22 0.00 0.00 33.01 29.64 2fmd s GLN 44 CO 0.55 0.42 1.11 0.20 -0.25 0.00 0.00 175.29 177.32 2fmd s GLY 45 N -2.49 1.63 -1.43 3.09 0.00 -1.26 -4.18 107.32 102.67 2fmd s GLY 45 Ca 0.42 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 44.28 2fmd s GLY 45 CO 0.24 -0.30 0.69 0.61 0.00 0.00 0.00 173.10 174.34 2fmd n GLY 46 N -3.15 -0.49 3.84 0.20 0.00 -0.23 -4.91 105.19 100.44 2fmd n GLY 46 Ca 0.08 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2fmd n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fmd s SER 47 N -2.94 5.79 -0.16 1.61 0.15 -1.20 -4.94 113.70 112.00 2fmd s SER 47 Ca 0.49 -0.00 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 2fmd s SER 47 Cb -0.25 -1.60 0.05 0.00 -1.71 0.00 0.00 66.02 62.50 2fmd s SER 47 CO 0.61 0.09 0.42 0.54 1.20 0.00 0.00 173.24 176.10 2fmd s VAL 48 N -1.66 -0.01 -0.05 4.45 0.11 -1.26 -1.93 120.40 120.05 2fmd s VAL 48 Ca 0.32 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 2fmd s VAL 48 Cb -0.11 -0.60 0.07 0.00 -1.53 0.00 0.00 36.38 34.21 2fmd s VAL 48 CO 0.25 0.02 0.66 -0.83 -3.33 0.00 0.00 175.10 171.86 2fmd s GLY 49 N 0.78 -0.56 0.06 6.54 0.00 -0.89 0.79 107.32 114.04 2fmd s GLY 49 Ca -0.05 1.27 -0.07 0.00 0.00 0.00 0.00 44.72 45.88 2fmd s GLY 49 CO -0.06 0.92 0.13 0.50 0.00 0.00 0.00 173.10 174.59 2fmd s ARG 50 N -1.19 0.71 -0.05 2.90 0.52 -0.40 -1.36 118.95 120.07 2fmd s ARG 50 Ca -0.11 -0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 2fmd s ARG 50 Cb -0.00 0.28 0.03 0.00 0.52 0.00 0.00 34.95 35.77 2fmd s ARG 50 CO 0.10 -0.20 0.13 0.00 0.02 0.00 0.00 175.30 175.35 2fmd s ALA 51 N -3.29 -0.26 0.06 2.13 0.00 -0.49 -0.34 121.76 119.57 2fmd s ALA 51 Ca 0.01 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.53 2fmd s ALA 51 Cb 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2fmd s ALA 51 CO -0.08 -0.11 -0.17 -0.51 0.00 0.00 0.00 175.76 174.89 2fmd s LEU 52 N 0.68 2.22 0.20 0.00 1.43 -0.21 -1.03 118.68 121.97 2fmd s LEU 52 Ca -0.05 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 2fmd s LEU 52 Cb -0.07 -0.71 -0.09 0.00 0.03 0.00 0.00 46.19 45.34 2fmd s LEU 52 CO -0.03 0.04 1.42 -0.47 0.23 0.00 0.00 176.35 177.54 2fmd s TYR 53 N -1.00 3.12 0.29 0.29 5.04 -0.49 0.44 117.35 125.03 2fmd s TYR 53 Ca 0.03 1.00 0.03 0.00 -2.44 0.00 0.00 57.07 55.68 2fmd s TYR 53 Cb -0.09 -3.76 0.62 0.00 0.35 0.00 0.00 41.96 39.07 2fmd s TYR 53 CO 0.02 -2.56 1.81 0.00 -1.34 0.00 0.00 175.55 173.48 2fmd h THR 54 N 3.77 0.82 -3.52 4.34 1.03 -1.51 -3.43 112.91 114.42 2fmd h THR 54 Ca -0.45 -0.30 -0.53 0.00 -0.01 0.00 0.00 66.41 65.13 2fmd h THR 54 Cb 1.21 -0.13 -0.03 0.00 -1.07 0.00 0.00 68.15 68.14 2fmd h THR 54 CO 0.81 0.16 0.28 0.00 -0.01 0.00 0.00 175.52 176.76 2fmd s ALA 55 N -5.92 3.30 0.55 0.00 0.00 -1.26 -4.99 121.76 113.43 2fmd s ALA 55 Ca -0.12 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 2fmd s ALA 55 Cb 0.23 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 2fmd s ALA 55 CO 0.80 0.02 1.20 -2.14 0.00 0.00 0.00 175.76 175.64 2fmd s PRO 56 N -0.08 3.26 -0.08 0.00 0.02 -1.26 -4.79 135.00 132.06 2fmd s PRO 56 Ca 0.43 1.81 0.04 0.00 0.02 0.00 0.00 61.00 63.29 2fmd s PRO 56 Cb -0.22 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 32.20 2fmd s PRO 56 CO 0.27 -0.97 -0.19 0.42 -0.33 0.00 0.00 177.00 176.20 2fmd s ILE 57 N -1.59 2.58 -0.68 2.83 1.09 0.23 -4.80 121.20 120.86 2fmd s ILE 57 Ca 0.73 -0.86 -0.24 0.00 -1.10 0.00 0.00 60.65 59.18 2fmd s ILE 57 Cb -0.29 -2.01 0.06 0.00 -1.06 0.00 0.00 42.46 39.16 2fmd s ILE 57 CO 0.33 0.56 1.05 -0.60 -0.10 0.00 0.00 174.94 176.18 2fmd s ARG 58 N -0.10 3.13 0.24 2.79 6.06 -1.26 -0.73 118.95 129.08 2fmd s ARG 58 Ca -0.04 -0.67 0.18 0.00 -2.50 0.00 0.00 55.73 52.70 2fmd s ARG 58 Cb -0.14 -4.21 0.05 0.00 0.06 0.00 0.00 34.95 30.71 2fmd s ARG 58 CO 0.04 -1.90 1.25 1.25 -2.50 0.00 0.00 175.30 173.44 2fmd h LEU 59 N 11.79 0.00 -7.63 -0.88 5.85 -0.99 -3.47 115.31 119.99 2fmd h LEU 59 Ca -0.29 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 2fmd h LEU 59 Cb 1.06 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.93 2fmd h LEU 59 CO 1.21 0.35 -0.31 0.86 -0.34 0.00 0.00 178.44 180.22 2fmd s TRP 60 N -3.06 -0.04 -0.23 1.25 -0.00 -1.07 -4.71 118.94 111.09 2fmd s TRP 60 Ca 0.02 -0.14 -0.10 0.00 -0.00 0.00 0.00 56.10 55.87 2fmd s TRP 60 Cb 0.08 0.04 0.09 0.00 -0.00 0.00 0.00 33.47 33.68 2fmd s TRP 60 CO 0.76 -0.48 0.53 -1.14 -0.00 0.00 0.00 176.95 176.62 2fmd s GLN 61 N -2.60 0.49 0.34 5.86 0.74 -1.26 -4.68 119.66 118.55 2fmd s GLN 61 Ca -0.05 1.09 0.09 0.00 0.05 0.00 0.00 55.36 56.54 2fmd s GLN 61 Cb -0.01 0.28 0.81 0.00 1.10 0.00 0.00 33.01 35.20 2fmd s GLN 61 CO -0.04 -0.19 1.82 0.66 -0.55 0.00 0.00 175.29 177.00 2fmd h SER 62 N 7.54 0.69 0.86 6.67 4.64 -2.02 -1.16 113.55 130.77 2fmd h SER 62 Ca -0.26 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2fmd h SER 62 Cb 1.16 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2fmd h SER 62 CO 0.18 0.29 0.00 -1.54 -0.87 0.00 0.00 176.83 174.89 2fmd n SER 63 N -4.64 0.49 -4.77 4.97 3.41 -1.26 -4.85 113.62 106.97 2fmd n SER 63 Ca 0.20 0.60 -0.36 0.00 -0.26 0.00 0.00 58.87 59.05 2fmd n SER 63 Cb 0.55 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 2fmd n SER 63 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2fmd s SER 64 N -3.92 5.99 -0.05 4.04 0.01 -0.44 -4.86 113.70 114.47 2fmd s SER 64 Ca 0.07 2.24 -0.25 0.00 1.31 0.00 0.00 55.95 59.32 2fmd s SER 64 Cb 0.11 -2.59 -0.23 0.00 0.21 0.00 0.00 66.02 63.51 2fmd s SER 64 CO 0.42 -1.04 1.04 0.25 0.41 0.00 0.00 173.24 174.32 2fmd h LEU 65 N 1.67 0.21 -7.41 2.44 5.85 0.15 -3.47 115.31 114.74 2fmd h LEU 65 Ca -0.50 -0.76 -0.11 0.00 0.84 0.00 0.00 57.88 57.35 2fmd h LEU 65 Cb 1.25 -0.06 -0.20 0.00 0.37 0.00 0.00 40.66 42.02 2fmd h LEU 65 CO 0.59 0.94 -0.19 0.54 -0.34 0.00 0.00 178.44 179.98 2fmd s VAL 66 N -3.17 0.04 -0.03 1.05 0.11 -1.02 -4.93 120.40 112.45 2fmd s VAL 66 Ca -0.16 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.57 2fmd s VAL 66 Cb 0.01 -0.68 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2fmd s VAL 66 CO 0.74 -0.20 -0.15 0.00 -3.33 0.00 0.00 175.10 172.16 2fmd s ALA 67 N -1.24 1.28 0.13 1.54 0.00 -1.26 -0.92 121.76 121.29 2fmd s ALA 67 Ca -0.13 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 2fmd s ALA 67 Cb -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2fmd s ALA 67 CO 0.05 0.26 0.35 -1.54 0.00 0.00 0.00 175.76 174.88 2fmd s SER 68 N -0.07 -0.12 0.11 0.00 1.04 -0.68 0.53 113.70 114.50 2fmd s SER 68 Ca 0.00 -0.47 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 2fmd s SER 68 Cb -0.09 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.52 2fmd s SER 68 CO 0.01 -0.85 0.43 0.72 0.98 0.00 0.00 173.24 174.53 2fmd s PHE 69 N -3.84 -0.26 -0.06 5.02 -0.12 -0.30 -0.95 117.98 117.47 2fmd s PHE 69 Ca 0.05 0.02 -0.25 0.00 -0.05 0.00 0.00 56.93 56.70 2fmd s PHE 69 Cb 0.02 0.28 0.05 0.00 -0.63 0.00 0.00 43.02 42.75 2fmd s PHE 69 CO -0.10 -0.69 0.56 -1.83 -0.05 0.00 0.00 175.22 173.11 2fmd s GLU 70 N -3.51 0.89 -0.08 1.99 -1.05 -0.17 -2.02 118.70 114.75 2fmd s GLU 70 Ca 0.01 0.20 -0.10 0.00 -0.15 0.00 0.00 54.97 54.92 2fmd s GLU 70 Cb 0.01 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2fmd s GLU 70 CO -0.10 -0.25 0.27 -0.08 0.95 0.00 0.00 175.26 176.05 2fmd s THR 71 N -1.03 0.02 -0.02 1.83 -1.32 -0.10 -1.15 115.64 113.87 2fmd s THR 71 Ca -0.10 -0.16 0.04 0.00 -1.21 0.00 0.00 61.69 60.26 2fmd s THR 71 Cb -0.02 -0.44 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2fmd s THR 71 CO 0.07 -0.09 -0.13 0.42 -2.21 0.00 0.00 174.62 172.69 2fmd s THR 72 N -0.27 1.03 0.04 5.08 -4.23 -0.65 -0.53 115.64 116.11 2fmd s THR 72 Ca -0.04 -0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 59.75 2fmd s THR 72 Cb -0.03 -0.88 0.04 0.00 1.34 0.00 0.00 72.50 72.97 2fmd s THR 72 CO 0.01 0.30 0.42 0.72 -0.54 0.00 0.00 174.62 175.53 2fmd s PHE 73 N -0.13 -0.28 0.04 3.99 -0.12 -0.46 -0.89 117.98 120.14 2fmd s PHE 73 Ca 0.02 0.27 0.06 0.00 -0.05 0.00 0.00 56.93 57.22 2fmd s PHE 73 Cb -0.07 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2fmd s PHE 73 CO 0.00 -0.56 -0.12 0.95 -0.05 0.00 0.00 175.22 175.44 2fmd s THR 74 N -2.32 3.24 0.05 -4.49 -4.23 -0.75 -0.89 115.64 106.24 2fmd s THR 74 Ca -0.06 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.22 2fmd s THR 74 Cb -0.01 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.44 2fmd s THR 74 CO -0.01 0.30 0.38 0.72 -0.54 0.00 0.00 174.62 175.48 2fmd s PHE 75 N -1.02 -0.22 -0.05 3.99 -0.12 -0.58 -0.63 117.98 119.34 2fmd s PHE 75 Ca 0.17 0.14 0.04 0.00 -0.05 0.00 0.00 56.93 57.22 2fmd s PHE 75 Cb -0.11 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 2fmd s PHE 75 CO 0.08 -0.56 -0.16 0.45 -0.05 0.00 0.00 175.22 174.98 2fmd s SER 76 N -2.08 2.09 -0.23 1.98 0.15 0.12 -0.77 113.70 114.96 2fmd s SER 76 Ca -0.05 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 2fmd s SER 76 Cb -0.01 -0.67 0.06 0.00 -1.71 0.00 0.00 66.02 63.70 2fmd s SER 76 CO -0.03 0.13 -0.00 -0.63 1.20 0.00 0.00 173.24 173.90 2fmd s ILE 77 N 0.17 1.08 -0.17 6.45 1.01 -1.26 -1.94 121.20 126.55 2fmd s ILE 77 Ca -0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 2fmd s ILE 77 Cb -0.12 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 2fmd s ILE 77 CO 0.03 -0.20 -0.13 -0.44 0.00 0.00 0.00 174.94 174.20 2fmd s SER 78 N 1.59 3.85 0.58 3.58 0.01 -1.25 -0.82 113.70 121.24 2fmd s SER 78 Ca -0.02 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 56.61 2fmd s SER 78 Cb -0.18 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 2fmd s SER 78 CO -0.08 0.07 1.22 0.00 0.41 0.00 0.00 173.24 174.86 2fmd s GLN 79 N 0.90 3.04 -0.21 12.44 -2.07 -1.26 -0.53 119.66 131.96 2fmd s GLN 79 Ca -0.03 1.86 -0.15 0.00 -1.82 0.00 0.00 55.36 55.22 2fmd s GLN 79 Cb -0.15 -1.99 -0.09 0.00 -1.09 0.00 0.00 33.01 29.70 2fmd s GLN 79 CO -0.01 -1.16 -0.33 0.41 -1.32 0.00 0.00 175.29 172.88 2fmd n GLY 80 N 0.53 -0.46 3.90 2.60 0.00 -0.96 -4.85 105.19 105.96 2fmd n GLY 80 Ca 0.13 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2fmd n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fmd s SER 81 N -6.66 4.94 0.61 1.61 1.04 -1.25 -4.92 113.70 109.06 2fmd s SER 81 Ca -0.32 0.83 0.30 0.00 0.48 0.00 0.00 55.95 57.24 2fmd s SER 81 Cb 0.09 -1.48 1.63 0.00 0.10 0.00 0.00 66.02 66.36 2fmd s SER 81 CO 0.43 -1.61 2.01 0.77 0.98 0.00 0.00 173.24 175.82 2fmd h SER 82 N -0.79 0.00 -3.60 7.02 4.64 -1.93 -3.38 113.55 115.52 2fmd h SER 82 Ca -0.45 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.37 2fmd h SER 82 Cb 1.30 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.06 2fmd h SER 82 CO 0.64 0.00 -0.81 0.28 -0.87 0.00 0.00 176.83 176.07 2fmd s THR 83 N -4.49 1.09 0.57 2.95 -1.32 -1.26 -5.08 115.64 108.10 2fmd s THR 83 Ca -0.04 -0.48 -0.17 0.00 -1.21 0.00 0.00 61.69 59.78 2fmd s THR 83 Cb 0.14 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 2fmd s THR 83 CO 0.48 0.34 1.06 -2.16 -2.21 0.00 0.00 174.62 172.13 2fmd s PRO 84 N 0.46 3.40 -0.21 7.08 0.04 -1.26 -4.06 135.00 140.45 2fmd s PRO 84 Ca -0.10 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 2fmd s PRO 84 Cb -0.13 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.52 2fmd s PRO 84 CO 0.03 -0.75 1.18 0.00 0.04 0.00 0.00 177.00 177.49 2fmd s ALA 85 N -2.30 -2.03 -0.13 8.56 0.00 -1.18 -4.32 121.76 120.36 2fmd s ALA 85 Ca 0.65 1.71 0.05 0.00 0.00 0.00 0.00 51.96 54.37 2fmd s ALA 85 Cb -0.17 -0.97 -0.11 0.00 0.00 0.00 0.00 23.12 21.87 2fmd s ALA 85 CO 0.33 -0.32 -0.06 -0.25 0.00 0.00 0.00 175.76 175.46 2fmd n ASP 86 N 0.52 2.60 0.00 0.00 8.00 0.33 -2.84 116.55 125.17 2fmd n ASP 86 Ca -0.05 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2fmd n ASP 86 Cb 0.58 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 2fmd n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fmd n ALA 87 N -2.70 0.00 -2.21 2.24 0.00 -1.12 -2.05 120.51 114.66 2fmd n ALA 87 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 2fmd n ALA 87 Cb 0.81 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.16 2fmd n ALA 87 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2fmd s LEU 88 N 0.00 1.89 0.02 0.00 0.05 -1.10 -1.81 118.68 117.73 2fmd s LEU 88 Ca 0.00 -1.22 -0.28 0.00 0.05 0.00 0.00 54.13 52.68 2fmd s LEU 88 Cb 0.00 0.11 0.08 0.00 -2.05 0.00 0.00 46.19 44.33 2fmd s LEU 88 CO 0.00 -0.66 0.73 0.28 -0.55 0.00 0.00 176.35 176.15 2fmd s THR 89 N -3.84 0.00 -0.09 5.48 -1.32 0.11 -0.59 115.64 115.39 2fmd s THR 89 Ca 0.26 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.63 2fmd s THR 89 Cb 0.07 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 2fmd s THR 89 CO 0.04 0.00 0.27 0.12 -2.21 0.00 0.00 174.62 172.84 2fmd s PHE 90 N -2.40 3.61 0.11 9.09 5.36 -0.83 -1.32 117.98 131.59 2fmd s PHE 90 Ca -0.03 0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 56.58 2fmd s PHE 90 Cb -0.01 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 2fmd s PHE 90 CO -0.02 0.58 0.14 -0.59 -1.46 0.00 0.00 175.22 173.87 2fmd s PHE 91 N -0.67 0.44 -0.04 10.12 -0.12 -0.04 -0.57 117.98 127.11 2fmd s PHE 91 Ca 0.18 -0.87 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 2fmd s PHE 91 Cb -0.14 -0.21 0.01 0.00 -0.63 0.00 0.00 43.02 42.05 2fmd s PHE 91 CO 0.07 -0.56 -0.09 0.42 -0.05 0.00 0.00 175.22 175.01 2fmd s ILE 92 N -3.94 0.85 0.37 -4.49 1.01 0.10 -2.11 121.20 112.99 2fmd s ILE 92 Ca 0.13 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 2fmd s ILE 92 Cb 0.06 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.77 2fmd s ILE 92 CO -0.05 0.28 0.64 0.00 0.00 0.00 0.00 174.94 175.81 2fmd n ALA 93 N 3.67 -1.07 -1.48 9.38 0.00 -1.05 -1.96 120.51 128.01 2fmd n ALA 93 Ca -0.22 -1.42 -0.36 0.00 0.00 0.00 0.00 53.44 51.44 2fmd n ALA 93 Cb 0.52 1.14 0.09 0.00 0.00 0.00 0.00 19.45 21.20 2fmd n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fmd n SER 94 N -1.57 1.57 -0.21 0.00 7.64 -1.26 -1.14 113.62 118.65 2fmd n SER 94 Ca -0.04 0.73 0.17 0.00 1.01 0.00 0.00 58.87 60.74 2fmd n SER 94 Cb 0.58 -1.53 0.50 0.00 -1.01 0.00 0.00 64.21 62.76 2fmd n SER 94 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2fmd h PRO 95 N -0.04 0.41 -0.61 1.43 0.11 -1.81 -1.01 132.00 130.47 2fmd h PRO 95 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2fmd h PRO 95 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2fmd h PRO 95 CO 0.50 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 2fmd n ASP 96 N -4.50 3.51 -4.67 -2.05 5.75 -1.26 -4.83 116.55 108.50 2fmd n ASP 96 Ca 0.17 -2.33 -0.42 0.00 -0.01 0.00 0.00 54.79 52.20 2fmd n ASP 96 Cb 0.62 -0.49 -0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2fmd n ASP 96 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2fmd n THR 97 N 0.70 2.13 -4.12 2.12 5.66 -0.38 -5.01 114.28 115.38 2fmd n THR 97 Ca 0.18 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.60 2fmd n THR 97 Cb 0.67 -1.44 -0.10 0.00 -1.55 0.00 0.00 70.33 67.91 2fmd n THR 97 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2fmd s LYS 98 N -1.90 0.72 -0.16 1.09 1.02 -1.26 -5.06 119.74 114.19 2fmd s LYS 98 Ca 0.58 -1.28 -0.32 0.00 0.02 0.00 0.00 55.97 54.96 2fmd s LYS 98 Cb -0.58 0.09 -0.10 0.00 -0.52 0.00 0.00 37.83 36.72 2fmd s LYS 98 CO 0.61 -0.10 2.04 -0.89 -0.92 0.00 0.00 175.35 176.09 2fmd n ILE 99 N 0.04 0.46 -1.88 2.17 5.41 -1.26 -4.91 119.36 119.39 2fmd n ILE 99 Ca -0.12 -0.23 -0.37 0.00 1.00 0.00 0.00 62.75 63.02 2fmd n ILE 99 Cb 0.61 -2.06 0.04 0.00 -0.71 0.00 0.00 39.64 37.53 2fmd n ILE 99 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2fmd s PRO 100 N 5.15 3.02 0.28 0.38 0.02 -1.26 -4.94 135.00 137.66 2fmd s PRO 100 Ca 0.98 2.05 -0.29 0.00 0.02 0.00 0.00 61.00 63.75 2fmd s PRO 100 Cb -0.61 -2.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.72 2fmd s PRO 100 CO 0.46 -1.23 1.39 0.45 -0.33 0.00 0.00 177.00 177.74 2fmd s SER 101 N -1.26 6.69 -1.16 2.53 0.15 -1.26 -2.69 113.70 116.71 2fmd s SER 101 Ca 0.75 2.68 0.00 0.00 0.70 0.00 0.00 55.95 60.08 2fmd s SER 101 Cb -0.36 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 2fmd s SER 101 CO 0.41 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2fmd n GLY 102 N 1.59 0.61 0.89 9.45 0.00 -1.26 -4.48 105.19 112.00 2fmd n GLY 102 Ca 0.04 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.71 2fmd n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2fmd n SER 103 N -0.11 2.59 -4.18 1.61 3.41 -1.09 -4.77 113.62 111.08 2fmd n SER 103 Ca -0.13 -2.02 -0.29 0.00 -0.26 0.00 0.00 58.87 56.16 2fmd n SER 103 Cb 0.50 -0.33 0.24 0.00 -0.26 0.00 0.00 64.21 64.36 2fmd n SER 103 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2fmd s GLY 104 N -0.98 1.53 0.00 5.00 0.00 -1.26 0.09 107.32 111.69 2fmd s GLY 104 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.51 2fmd s GLY 104 CO 0.21 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.19 2fmd n GLY 105 N 0.07 2.94 0.02 0.20 0.00 -1.22 -1.74 105.19 105.45 2fmd n GLY 105 Ca 0.07 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.37 2fmd n GLY 105 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2fmd n ARG 106 N 14.00 0.02 -0.01 1.61 1.85 -1.26 -1.17 116.66 131.70 2fmd n ARG 106 Ca 0.00 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.42 2fmd n ARG 106 Cb 0.00 -1.65 0.32 0.00 -1.05 0.00 0.00 32.46 30.09 2fmd n ARG 106 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2fmd n LEU 107 N -1.52 2.23 -1.39 2.89 4.77 -0.71 -4.95 117.00 118.32 2fmd n LEU 107 Ca -0.00 -0.75 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 2fmd n LEU 107 Cb 0.10 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2fmd n LEU 107 CO 0.01 0.38 -0.13 0.18 -1.33 0.00 0.00 177.39 176.50 2fmd n LEU 108 N 0.74 -0.96 -0.13 2.23 4.77 -0.31 -1.41 117.00 121.93 2fmd n LEU 108 Ca 0.17 0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 2fmd n LEU 108 Cb 0.47 -1.99 -0.01 0.00 -2.33 0.00 0.00 43.42 39.57 2fmd n LEU 108 CO 0.16 -0.68 -0.02 0.61 -1.33 0.00 0.00 177.39 176.13 2fmd n GLY 109 N -0.25 0.37 0.13 -0.72 0.00 0.11 -3.80 105.19 101.04 2fmd n GLY 109 Ca -0.13 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2fmd n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fmd n LEU 110 N -0.19 2.84 -4.29 0.99 4.77 -0.50 -4.32 117.00 116.31 2fmd n LEU 110 Ca -0.02 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.71 2fmd n LEU 110 Cb 0.30 -0.97 -0.12 0.00 -2.33 0.00 0.00 43.42 40.30 2fmd n LEU 110 CO 0.03 0.90 -0.51 -0.36 -1.33 0.00 0.00 177.39 176.11 2fmd s PHE 111 N -2.53 1.78 -2.58 -1.77 0.08 -1.21 -4.75 117.98 107.00 2fmd s PHE 111 Ca -0.32 -0.43 0.25 0.00 0.12 0.00 0.00 56.93 56.56 2fmd s PHE 111 Cb 0.09 -0.96 0.43 0.00 -0.57 0.00 0.00 43.02 42.01 2fmd s PHE 111 CO 0.64 0.22 1.38 0.41 -0.10 0.00 0.00 175.22 177.78 2fmd n GLY 112 N 0.97 0.41 3.05 4.36 0.00 -1.26 -4.02 105.19 108.70 2fmd n GLY 112 Ca -0.19 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2fmd n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fmd s SER 113 N -2.13 0.84 -0.01 1.61 0.15 -1.26 -4.75 113.70 108.14 2fmd s SER 113 Ca 0.29 -0.51 0.18 0.00 0.70 0.00 0.00 55.95 56.61 2fmd s SER 113 Cb 0.20 0.03 0.54 0.00 -1.71 0.00 0.00 66.02 65.08 2fmd s SER 113 CO 0.38 -0.18 1.45 -1.54 1.20 0.00 0.00 173.24 174.55 2fmd n SER 114 N 1.58 3.33 0.00 5.45 3.41 -1.26 -4.60 113.62 121.53 2fmd n SER 114 Ca -0.22 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 2fmd n SER 114 Cb 0.55 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2fmd n SER 114 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2fmd n ASN 115 N 1.24 0.00 0.00 4.04 4.13 -1.26 -4.80 115.26 118.61 2fmd n ASN 115 Ca 0.20 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.55 2fmd n ASN 115 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 2fmd n ASN 115 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2fmd n ASP 120 N -0.10 0.00 -0.55 6.41 5.75 -1.26 -4.41 116.55 122.38 2fmd n ASP 120 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2fmd n ASP 120 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2fmd n ASP 120 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2fmd n ASN 121 N 0.00 0.01 -4.76 -1.12 5.15 -1.26 -4.89 115.26 108.38 2fmd n ASN 121 Ca 0.00 -1.58 -0.34 0.00 -0.60 0.00 0.00 54.58 52.06 2fmd n ASN 121 Cb 0.00 -0.10 0.05 0.00 -0.53 0.00 0.00 39.78 39.19 2fmd n ASN 121 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2fmd s GLY 122 N -0.61 2.40 -0.05 8.20 0.00 -1.25 -4.94 107.32 111.06 2fmd s GLY 122 Ca 0.01 0.76 -0.02 0.00 0.00 0.00 0.00 44.72 45.47 2fmd s GLY 122 CO -0.01 1.13 0.03 0.54 0.00 0.00 0.00 173.10 174.79 2fmd s VAL 123 N -2.01 0.13 -0.08 1.40 0.11 -1.26 -4.17 120.40 114.51 2fmd s VAL 123 Ca 0.72 0.27 0.04 0.00 -2.93 0.00 0.00 61.98 60.08 2fmd s VAL 123 Cb -0.25 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2fmd s VAL 123 CO 0.38 0.22 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.45 2fmd s VAL 124 N 2.03 1.90 0.14 2.04 1.01 -0.83 0.17 120.40 126.86 2fmd s VAL 124 Ca 0.04 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 2fmd s VAL 124 Cb -0.12 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.66 2fmd s VAL 124 CO -0.04 0.53 0.44 -0.94 0.00 0.00 0.00 175.10 175.09 2fmd s SER 125 N 0.19 -0.26 -0.27 3.32 1.04 -0.19 0.02 113.70 117.54 2fmd s SER 125 Ca -0.12 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2fmd s SER 125 Cb -0.16 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.52 2fmd s SER 125 CO 0.06 -0.90 -0.06 -0.69 0.98 0.00 0.00 173.24 172.63 2fmd s VAL 126 N -3.82 2.58 0.04 5.02 1.01 0.27 -0.08 120.40 125.43 2fmd s VAL 126 Ca 0.04 -1.44 -0.10 0.00 0.00 0.00 0.00 61.98 60.49 2fmd s VAL 126 Cb 0.01 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2fmd s VAL 126 CO -0.10 -0.02 0.36 -1.83 0.00 0.00 0.00 175.10 173.51 2fmd s GLU 127 N 1.19 3.73 -0.59 2.72 -1.05 0.17 -1.97 118.70 122.90 2fmd s GLU 127 Ca -0.06 0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.90 2fmd s GLU 127 Cb -0.19 -3.05 0.15 0.00 -0.44 0.00 0.00 34.13 30.59 2fmd s GLU 127 CO -0.04 0.61 0.37 -0.06 0.95 0.00 0.00 175.26 177.09 2fmd s PHE 128 N -1.32 3.31 -0.39 4.83 0.08 0.24 -0.66 117.98 124.08 2fmd s PHE 128 Ca 0.30 -2.95 -0.23 0.00 0.12 0.00 0.00 56.93 54.16 2fmd s PHE 128 Cb -0.14 -3.02 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2fmd s PHE 128 CO 0.16 -0.78 0.77 0.34 -0.10 0.00 0.00 175.22 175.61 2fmd s ASP 129 N 0.15 6.50 0.00 1.36 -1.08 0.18 -2.71 116.67 121.07 2fmd s ASP 129 Ca 0.18 0.21 0.24 0.00 -0.52 0.00 0.00 52.55 52.66 2fmd s ASP 129 Cb -0.22 -2.39 0.36 0.00 -1.46 0.00 0.00 42.92 39.21 2fmd s ASP 129 CO -0.02 -0.77 1.31 0.35 0.52 0.00 0.00 175.17 176.56 2fmd n THR 130 N 5.87 0.00 -3.72 1.71 -2.24 -0.87 -1.93 114.28 113.10 2fmd n THR 130 Ca 0.02 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 2fmd n THR 130 Cb 0.48 0.71 -0.17 0.00 -2.10 0.00 0.00 70.33 69.26 2fmd n THR 130 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2fmd s TYR 131 N -2.64 0.92 -0.05 4.78 5.04 -1.22 -4.65 117.35 119.53 2fmd s TYR 131 Ca 0.18 -0.79 -0.30 0.00 -2.44 0.00 0.00 57.07 53.72 2fmd s TYR 131 Cb 0.18 -0.99 -0.06 0.00 0.35 0.00 0.00 41.96 41.44 2fmd s TYR 131 CO 0.61 -0.60 1.78 -2.14 -1.34 0.00 0.00 175.55 173.86 2fmd s PRO 132 N 1.89 4.09 -0.84 4.97 0.02 -1.26 -4.92 135.00 138.95 2fmd s PRO 132 Ca -0.01 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.30 2fmd s PRO 132 Cb -0.17 -4.07 0.21 0.00 0.02 0.00 0.00 34.50 30.50 2fmd s PRO 132 CO -0.08 -0.97 0.74 0.09 -0.33 0.00 0.00 177.00 176.44 2fmd n ASN 133 N 7.57 3.96 0.03 2.53 4.13 -1.26 -4.95 115.26 127.27 2fmd n ASN 133 Ca 0.19 -3.19 0.15 0.00 1.68 0.00 0.00 54.58 53.41 2fmd n ASN 133 Cb 0.42 -0.96 0.62 0.00 -1.54 0.00 0.00 39.78 38.33 2fmd n ASN 133 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2fmd h THR 134 N 4.04 0.84 0.00 3.41 1.35 -1.87 -1.88 112.91 118.80 2fmd h THR 134 Ca 0.16 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 2fmd h THR 134 Cb 0.78 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2fmd h THR 134 CO 0.84 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.23 2fmd n ASP 135 N -4.44 0.08 -0.70 5.36 5.75 -1.26 -2.45 116.55 118.90 2fmd n ASP 135 Ca 0.07 0.52 0.05 0.00 -0.01 0.00 0.00 54.79 55.43 2fmd n ASP 135 Cb 0.43 -0.54 0.19 0.00 -1.03 0.00 0.00 41.12 40.18 2fmd n ASP 135 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2fmd n ILE 136 N -1.59 2.07 0.00 2.12 -5.35 -0.72 -4.98 119.36 110.91 2fmd n ILE 136 Ca 0.03 -3.13 0.00 0.00 -0.27 0.00 0.00 62.75 59.38 2fmd n ILE 136 Cb 0.14 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 2fmd n ILE 136 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fmd n GLY 137 N -1.00 2.94 3.74 3.28 0.00 -1.02 -4.60 105.19 108.52 2fmd n GLY 137 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2fmd n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fmd s ASP 138 N -1.20 6.36 0.83 1.61 1.11 -1.14 -4.94 116.67 119.31 2fmd s ASP 138 Ca 0.00 2.93 -0.10 0.00 0.18 0.00 0.00 52.55 55.56 2fmd s ASP 138 Cb 0.00 -2.62 0.09 0.00 1.07 0.00 0.00 42.92 41.46 2fmd s ASP 138 CO 0.00 -0.94 1.11 -2.16 1.18 0.00 0.00 175.17 174.35 2fmd s PRO 139 N 0.09 1.80 -1.58 8.23 0.04 -1.26 -4.02 135.00 138.31 2fmd s PRO 139 Ca 0.67 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 2fmd s PRO 139 Cb -0.49 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 2fmd s PRO 139 CO 0.42 -1.99 2.81 -1.71 0.04 0.00 0.00 177.00 176.58 2fmd n ASN 140 N -3.76 7.89 0.00 6.66 5.15 -1.26 -4.69 115.26 125.25 2fmd n ASN 140 Ca 0.10 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.43 2fmd n ASN 140 Cb 0.53 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 2fmd n ASN 140 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fmd n TYR 141 N 3.92 0.00 -1.88 1.20 0.18 -1.26 -5.04 117.16 114.27 2fmd n TYR 141 Ca 0.73 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 60.13 2fmd n TYR 141 Cb 0.26 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.25 2fmd n TYR 141 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2fmd s ARG 142 N -2.00 3.35 0.28 -3.48 0.52 -1.26 -4.66 118.95 111.71 2fmd s ARG 142 Ca 0.00 2.17 -0.19 0.00 -0.52 0.00 0.00 55.73 57.19 2fmd s ARG 142 Cb 0.00 -2.35 0.02 0.00 0.52 0.00 0.00 34.95 33.14 2fmd s ARG 142 CO 0.00 -1.00 0.69 -3.38 0.02 0.00 0.00 175.30 171.63 2fmd s HIS 143 N -1.33 -0.07 -0.06 -0.53 -3.43 -0.81 -0.75 115.29 108.30 2fmd s HIS 143 Ca 0.68 -0.39 0.05 0.00 -0.80 0.00 0.00 55.06 54.60 2fmd s HIS 143 Cb -0.38 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.38 2fmd s HIS 143 CO 0.46 -1.23 -0.22 0.42 -2.00 0.00 0.00 174.74 172.18 2fmd s ILE 144 N -3.79 2.37 0.05 -5.38 1.01 -0.54 -0.64 121.20 114.27 2fmd s ILE 144 Ca 0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2fmd s ILE 144 Cb -0.05 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2fmd s ILE 144 CO 0.08 0.57 0.03 -0.83 0.00 0.00 0.00 174.94 174.79 2fmd s GLY 145 N -0.30 0.31 -0.29 6.18 0.00 0.17 -1.34 107.32 112.05 2fmd s GLY 145 Ca 0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 43.78 2fmd s GLY 145 CO 0.02 -1.00 0.10 -0.42 0.00 0.00 0.00 173.10 171.81 2fmd s ILE 146 N -3.22 4.19 -0.12 0.90 1.01 0.16 0.42 121.20 124.54 2fmd s ILE 146 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2fmd s ILE 146 Cb 0.03 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2fmd s ILE 146 CO -0.07 0.13 -0.03 -1.81 0.00 0.00 0.00 174.94 173.16 2fmd s ASP 147 N 1.55 4.92 -0.32 3.58 1.01 0.89 -0.67 116.67 127.63 2fmd s ASP 147 Ca 0.04 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.28 2fmd s ASP 147 Cb -0.17 -1.60 0.10 0.00 1.01 0.00 0.00 42.92 42.26 2fmd s ASP 147 CO 0.04 0.26 0.08 -0.69 0.21 0.00 0.00 175.17 175.06 2fmd s VAL 148 N -0.16 1.40 -0.69 -1.27 1.01 -1.26 -1.02 120.40 118.40 2fmd s VAL 148 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.25 2fmd s VAL 148 Cb -0.13 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2fmd s VAL 148 CO 0.02 -0.65 0.00 0.59 0.00 0.00 0.00 175.10 175.06 2fmd n ASN 149 N 4.61 -5.22 -3.61 3.32 3.02 0.13 -4.95 115.26 112.55 2fmd n ASN 149 Ca 0.00 0.16 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 2fmd n ASN 149 Cb 0.42 -3.30 -0.07 0.00 -0.61 0.00 0.00 39.78 36.22 2fmd n ASN 149 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2fmd s SER 150 N -2.33 -0.65 0.57 6.41 0.15 -1.26 -4.98 113.70 111.61 2fmd s SER 150 Ca 0.00 1.06 0.36 0.00 0.70 0.00 0.00 55.95 58.06 2fmd s SER 150 Cb 0.00 1.02 1.61 0.00 -1.71 0.00 0.00 66.02 66.94 2fmd s SER 150 CO 0.00 -0.37 2.08 -0.29 1.20 0.00 0.00 173.24 175.86 2fmd h ILE 151 N 3.71 0.06 -2.15 6.45 6.09 -1.81 -3.39 117.51 126.47 2fmd h ILE 151 Ca -0.28 -0.42 -0.54 0.00 -1.37 0.00 0.00 64.86 62.25 2fmd h ILE 151 Cb 1.16 1.39 -0.08 0.00 0.47 0.00 0.00 36.82 39.76 2fmd h ILE 151 CO 0.21 0.02 1.14 -0.13 -3.07 0.00 0.00 178.15 176.31 2fmd s ARG 152 N -3.81 3.20 0.18 2.19 0.52 -1.26 -4.96 118.95 115.00 2fmd s ARG 152 Ca -0.01 -0.30 -0.33 0.00 -0.52 0.00 0.00 55.73 54.58 2fmd s ARG 152 Cb 0.10 -4.36 -0.15 0.00 0.52 0.00 0.00 34.95 31.06 2fmd s ARG 152 CO 0.52 -2.21 1.28 0.43 0.02 0.00 0.00 175.30 175.33 2fmd n SER 153 N 9.61 1.88 0.20 0.23 7.64 -1.26 -4.76 113.62 127.16 2fmd n SER 153 Ca 0.09 1.14 0.08 0.00 1.01 0.00 0.00 58.87 61.19 2fmd n SER 153 Cb 0.49 -1.29 0.28 0.00 -1.01 0.00 0.00 64.21 62.69 2fmd n SER 153 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2fmd h LYS 154 N 3.89 0.00 -2.40 1.43 1.79 -1.24 -3.45 116.57 116.60 2fmd h LYS 154 Ca -0.44 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.94 2fmd h LYS 154 Cb 1.32 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.75 2fmd h LYS 154 CO 0.74 0.26 -0.05 0.00 -1.08 0.00 0.00 179.45 179.32 2fmd s ALA 155 N -3.34 -1.38 0.08 3.86 0.00 -1.23 -5.01 121.76 114.74 2fmd s ALA 155 Ca 0.03 1.42 -0.23 0.00 0.00 0.00 0.00 51.96 53.17 2fmd s ALA 155 Cb 0.08 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.57 2fmd s ALA 155 CO 0.67 -0.28 0.56 0.00 0.00 0.00 0.00 175.76 176.71 2fmd s ALA 156 N -0.07 -1.44 0.02 0.00 0.00 -1.26 -0.67 121.76 118.34 2fmd s ALA 156 Ca -0.03 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 2fmd s ALA 156 Cb -0.03 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2fmd s ALA 156 CO 0.02 -0.60 -0.00 -1.12 0.00 0.00 0.00 175.76 174.06 2fmd s SER 157 N -2.24 0.20 0.31 0.00 0.01 -0.45 -4.98 113.70 106.56 2fmd s SER 157 Ca -0.03 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 2fmd s SER 157 Cb -0.00 0.11 -0.12 0.00 0.21 0.00 0.00 66.02 66.22 2fmd s SER 157 CO -0.05 -0.29 1.56 1.17 0.41 0.00 0.00 173.24 176.03 2fmd n LYS 158 N 1.66 2.67 -4.13 12.44 4.81 -1.26 -1.47 118.16 132.88 2fmd n LYS 158 Ca -0.23 0.94 -0.29 0.00 -0.87 0.00 0.00 58.31 57.86 2fmd n LYS 158 Cb 0.55 -2.71 -0.17 0.00 0.02 0.00 0.00 35.03 32.73 2fmd n LYS 158 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 2fmd s TRP 159 N -0.29 1.96 -1.26 5.64 -0.00 0.07 -4.77 118.94 120.29 2fmd s TRP 159 Ca 0.61 -1.03 -0.12 0.00 -0.00 0.00 0.00 56.10 55.57 2fmd s TRP 159 Cb -0.50 -1.46 0.16 0.00 -0.00 0.00 0.00 33.47 31.67 2fmd s TRP 159 CO 0.52 -0.58 1.69 -0.25 -0.00 0.00 0.00 176.95 178.34 2fmd n ASP 160 N 4.62 5.09 -4.63 5.86 8.00 -1.26 -4.29 116.55 129.94 2fmd n ASP 160 Ca -0.17 -3.03 -0.43 0.00 0.71 0.00 0.00 54.79 51.88 2fmd n ASP 160 Cb 0.50 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.12 40.06 2fmd n ASP 160 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2fmd n TRP 161 N 5.02 1.55 -4.05 1.24 -0.00 -1.26 -4.99 117.44 114.94 2fmd n TRP 161 Ca 0.40 0.60 -0.31 0.00 -0.00 0.00 0.00 57.50 58.19 2fmd n TRP 161 Cb 0.40 -2.29 -0.16 0.00 -0.00 0.00 0.00 31.31 29.25 2fmd n TRP 161 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2fmd s GLN 162 N -1.83 2.50 -0.03 5.87 -0.21 -1.26 -5.09 119.66 119.62 2fmd s GLN 162 Ca 0.59 -0.66 -0.35 0.00 0.02 0.00 0.00 55.36 54.97 2fmd s GLN 162 Cb -0.61 -2.27 -0.13 0.00 1.00 0.00 0.00 33.01 31.01 2fmd s GLN 162 CO 0.59 -0.24 1.76 -1.71 -2.12 0.00 0.00 175.29 173.57 2fmd n ASN 163 N 4.72 3.15 0.00 5.90 5.15 -1.26 -2.91 115.26 130.01 2fmd n ASN 163 Ca -0.18 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.82 2fmd n ASN 163 Cb 0.50 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 2fmd n ASN 163 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fmd n GLY 164 N 4.01 1.94 3.74 8.20 0.00 -0.00 -4.95 105.19 118.13 2fmd n GLY 164 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2fmd n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fmd s LYS 165 N 0.00 2.66 -0.23 1.61 3.01 -1.15 -4.61 119.74 121.03 2fmd s LYS 165 Ca 0.00 1.95 -0.26 0.00 -1.01 0.00 0.00 55.97 56.65 2fmd s LYS 165 Cb 0.00 -1.87 -0.00 0.00 -1.01 0.00 0.00 37.83 34.94 2fmd s LYS 165 CO 0.00 -1.48 0.88 0.99 0.51 0.00 0.00 175.35 176.25 2fmd s THR 166 N -1.53 4.80 0.15 2.17 2.01 -1.26 -4.37 115.64 117.61 2fmd s THR 166 Ca 0.80 1.69 0.00 0.00 0.31 0.00 0.00 61.69 64.49 2fmd s THR 166 Cb -0.34 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 2fmd s THR 166 CO 0.38 -0.09 0.32 0.00 -0.69 0.00 0.00 174.62 174.53 2fmd s ALA 167 N 2.89 3.91 -0.09 7.40 0.00 0.05 -4.46 121.76 131.45 2fmd s ALA 167 Ca 0.37 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2fmd s ALA 167 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2fmd s ALA 167 CO 0.07 0.56 -0.23 0.99 0.00 0.00 0.00 175.76 177.16 2fmd s THR 168 N -1.74 1.97 -0.00 0.00 2.01 -0.04 -1.53 115.64 116.30 2fmd s THR 168 Ca 0.37 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2fmd s THR 168 Cb -0.11 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 2fmd s THR 168 CO 0.28 0.54 -0.14 0.00 -0.69 0.00 0.00 174.62 174.61 2fmd s ALA 169 N 0.33 1.17 -0.09 7.40 0.00 -0.07 -0.96 121.76 129.54 2fmd s ALA 169 Ca -0.17 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2fmd s ALA 169 Cb -0.17 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.69 2fmd s ALA 169 CO 0.08 0.27 -0.12 -1.58 0.00 0.00 0.00 175.76 174.42 2fmd s HIS 170 N -0.43 1.58 -0.06 0.00 2.46 0.52 -1.35 115.29 118.02 2fmd s HIS 170 Ca 0.05 -0.68 0.05 0.00 0.47 0.00 0.00 55.06 54.95 2fmd s HIS 170 Cb -0.06 -1.19 -0.01 0.00 -0.13 0.00 0.00 32.58 31.19 2fmd s HIS 170 CO -0.00 -0.39 -0.22 0.42 -2.47 0.00 0.00 174.74 172.08 2fmd s ILE 171 N 1.02 2.30 0.05 0.89 1.01 0.31 -1.03 121.20 125.75 2fmd s ILE 171 Ca -0.08 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.53 2fmd s ILE 171 Cb -0.15 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2fmd s ILE 171 CO -0.01 0.57 0.11 -0.94 0.00 0.00 0.00 174.94 174.67 2fmd s SER 172 N -0.25 0.19 -0.23 3.58 1.04 0.08 -0.92 113.70 117.18 2fmd s SER 172 Ca -0.00 -0.58 -0.28 0.00 0.48 0.00 0.00 55.95 55.57 2fmd s SER 172 Cb -0.13 0.25 0.14 0.00 0.10 0.00 0.00 66.02 66.38 2fmd s SER 172 CO 0.03 -0.56 1.09 -0.47 0.98 0.00 0.00 173.24 174.31 2fmd s TYR 173 N -2.93 -0.34 0.00 5.02 5.04 -0.85 -1.37 117.35 121.92 2fmd s TYR 173 Ca -0.02 0.71 -0.10 0.00 -2.44 0.00 0.00 57.07 55.22 2fmd s TYR 173 Cb 0.01 0.43 0.01 0.00 0.35 0.00 0.00 41.96 42.75 2fmd s TYR 173 CO -0.06 -0.24 0.21 0.54 -1.34 0.00 0.00 175.55 174.65 2fmd s ASN 174 N -0.52 -0.05 0.00 4.32 2.20 -1.26 -1.15 114.94 118.49 2fmd s ASN 174 Ca 0.02 -0.13 0.20 0.00 -0.94 0.00 0.00 52.86 52.00 2fmd s ASN 174 Cb -0.03 0.25 1.04 0.00 -2.00 0.00 0.00 41.25 40.51 2fmd s ASN 174 CO -0.04 -0.43 1.60 -1.54 -2.94 0.00 0.00 177.10 173.75 2fmd n SER 175 N 1.26 0.00 -0.09 3.54 3.41 0.19 -1.73 113.62 120.20 2fmd n SER 175 Ca -0.22 -0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.07 2fmd n SER 175 Cb 0.56 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 2fmd n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fmd h ALA 176 N 3.01 0.14 -0.00 7.33 0.00 -1.92 -3.37 119.26 124.44 2fmd h ALA 176 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 53.90 2fmd h ALA 176 Cb 0.13 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2fmd h ALA 176 CO 0.00 0.44 -0.73 0.77 0.00 0.00 0.00 179.25 179.73 2fmd h SER 177 N -1.00 0.04 -6.09 0.00 0.02 -1.97 -3.47 113.55 101.08 2fmd h SER 177 Ca -0.19 -0.03 -0.42 0.00 -0.84 0.00 0.00 61.79 60.31 2fmd h SER 177 Cb 1.04 -0.01 0.06 0.00 0.14 0.00 0.00 62.40 63.62 2fmd h SER 177 CO -0.11 0.75 -0.84 0.29 -1.14 0.00 0.00 176.83 175.78 2fmd n LYS 178 N -3.69 -4.69 -3.66 3.45 5.02 -0.71 -4.94 118.16 108.94 2fmd n LYS 178 Ca -0.01 0.61 -0.17 0.00 -2.02 0.00 0.00 58.31 56.72 2fmd n LYS 178 Cb 0.71 -5.14 -0.16 0.00 -0.02 0.00 0.00 35.03 30.42 2fmd n LYS 178 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2fmd s ARG 179 N -5.96 0.03 -0.25 1.97 3.52 -1.26 -1.73 118.95 115.28 2fmd s ARG 179 Ca 0.02 0.53 -0.19 0.00 -0.13 0.00 0.00 55.73 55.96 2fmd s ARG 179 Cb -0.01 -0.35 -0.02 0.00 -1.56 0.00 0.00 34.95 33.00 2fmd s ARG 179 CO 0.81 -0.33 0.57 -1.17 -0.81 0.00 0.00 175.30 174.37 2fmd s LEU 180 N 2.29 4.07 0.08 -0.88 2.96 -0.33 -4.41 118.68 122.46 2fmd s LEU 180 Ca 0.03 0.63 0.06 0.00 -0.22 0.00 0.00 54.13 54.64 2fmd s LEU 180 Cb -0.12 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 2fmd s LEU 180 CO -0.06 -0.31 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.05 2fmd s SER 181 N 1.45 2.07 -0.01 3.68 0.01 -0.47 -1.31 113.70 119.12 2fmd s SER 181 Ca 0.24 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2fmd s SER 181 Cb -0.16 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2fmd s SER 181 CO 0.09 0.01 -0.04 0.54 0.41 0.00 0.00 173.24 174.25 2fmd s VAL 182 N -1.13 0.37 -0.05 3.43 0.11 0.16 -0.74 120.40 122.54 2fmd s VAL 182 Ca 0.02 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2fmd s VAL 182 Cb -0.10 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2fmd s VAL 182 CO 0.03 0.12 -0.09 0.54 -3.33 0.00 0.00 175.10 172.37 2fmd s VAL 183 N 0.12 0.88 0.03 2.04 0.11 -0.20 -1.03 120.40 122.34 2fmd s VAL 183 Ca -0.01 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2fmd s VAL 183 Cb -0.04 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2fmd s VAL 183 CO -0.00 0.29 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.45 2fmd s SER 184 N 0.61 0.63 0.17 3.54 0.15 -0.40 -0.35 113.70 118.05 2fmd s SER 184 Ca -0.11 -0.43 -0.24 0.00 0.70 0.00 0.00 55.95 55.87 2fmd s SER 184 Cb -0.14 0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.26 2fmd s SER 184 CO 0.02 -0.17 0.78 -0.55 1.20 0.00 0.00 173.24 174.52 2fmd s SER 185 N -1.22 -0.33 0.26 5.45 0.15 -0.13 -0.94 113.70 116.94 2fmd s SER 185 Ca -0.09 -0.30 0.10 0.00 0.70 0.00 0.00 55.95 56.36 2fmd s SER 185 Cb -0.08 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 2fmd s SER 185 CO -0.00 -1.02 -0.03 -0.31 1.20 0.00 0.00 173.24 173.08 2fmd s TYR 186 N -3.58 2.64 0.54 3.44 2.02 -1.26 -0.86 117.35 120.29 2fmd s TYR 186 Ca 0.08 -0.23 -0.22 0.00 -0.37 0.00 0.00 57.07 56.33 2fmd s TYR 186 Cb -0.03 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 2fmd s TYR 186 CO -0.02 0.63 1.33 -2.14 -1.57 0.00 0.00 175.55 173.78 2fmd s PRO 187 N -3.61 3.20 -1.45 -1.71 0.02 -1.26 -2.52 135.00 127.66 2fmd s PRO 187 Ca 0.31 2.18 -0.09 0.00 0.02 0.00 0.00 61.00 63.42 2fmd s PRO 187 Cb -0.06 -2.26 0.04 0.00 0.02 0.00 0.00 34.50 32.24 2fmd s PRO 187 CO 0.19 -1.13 0.74 0.09 -0.33 0.00 0.00 177.00 176.57 2fmd n ASN 188 N -0.99 -5.22 -4.04 2.53 5.03 -1.26 -4.95 115.26 106.36 2fmd n ASN 188 Ca 0.10 -0.46 -0.13 0.00 0.87 0.00 0.00 54.58 54.96 2fmd n ASN 188 Cb 0.45 -4.21 -0.10 0.00 -1.02 0.00 0.00 39.78 34.91 2fmd n ASN 188 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2fmd s SER 189 N -2.93 0.42 -0.18 6.41 0.01 -1.05 -5.13 113.70 111.24 2fmd s SER 189 Ca 0.45 -1.45 -0.19 0.00 1.31 0.00 0.00 55.95 56.08 2fmd s SER 189 Cb -0.22 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 2fmd s SER 189 CO 0.56 -0.89 0.53 -0.44 0.41 0.00 0.00 173.24 173.41 2fmd s SER 190 N -3.20 6.60 0.86 2.44 0.01 -1.26 -4.78 113.70 114.38 2fmd s SER 190 Ca 0.39 0.72 -0.11 0.00 1.31 0.00 0.00 55.95 58.26 2fmd s SER 190 Cb 0.06 -2.30 0.11 0.00 0.21 0.00 0.00 66.02 64.10 2fmd s SER 190 CO 0.15 -0.16 1.10 -2.84 0.41 0.00 0.00 173.24 171.90 2fmd s PRO 191 N 1.49 1.48 -0.03 12.44 0.02 -1.26 -4.80 135.00 144.34 2fmd s PRO 191 Ca 0.25 1.20 0.05 0.00 0.02 0.00 0.00 61.00 62.52 2fmd s PRO 191 Cb -0.15 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 2fmd s PRO 191 CO 0.10 -2.20 -0.17 0.54 -0.33 0.00 0.00 177.00 174.94 2fmd s VAL 192 N -2.80 1.42 0.04 3.83 0.11 -0.12 -4.97 120.40 117.90 2fmd s VAL 192 Ca 0.64 -0.74 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 2fmd s VAL 192 Cb -0.19 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.43 2fmd s VAL 192 CO 0.57 0.41 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.86 2fmd s VAL 193 N -0.19 1.62 -0.02 2.04 1.01 -1.26 -1.27 120.40 122.33 2fmd s VAL 193 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2fmd s VAL 193 Cb -0.09 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2fmd s VAL 193 CO 0.01 0.22 0.00 -0.69 0.00 0.00 0.00 175.10 174.64 2fmd s VAL 194 N -0.77 0.12 0.06 2.92 1.01 -0.20 -4.80 120.40 118.75 2fmd s VAL 194 Ca 0.07 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.14 2fmd s VAL 194 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2fmd s VAL 194 CO 0.01 0.10 -0.07 -0.44 0.00 0.00 0.00 175.10 174.71 2fmd s SER 195 N 0.74 0.97 -0.16 3.32 0.01 -1.26 -0.67 113.70 116.64 2fmd s SER 195 Ca -0.07 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.37 2fmd s SER 195 Cb -0.10 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.25 2fmd s SER 195 CO -0.02 -0.31 0.39 0.12 0.41 0.00 0.00 173.24 173.84 2fmd s PHE 196 N -2.28 -0.58 -0.28 2.43 5.36 -0.43 -4.85 117.98 117.35 2fmd s PHE 196 Ca -0.01 1.24 -0.29 0.00 -0.96 0.00 0.00 56.93 56.91 2fmd s PHE 196 Cb -0.04 0.24 0.01 0.00 -0.34 0.00 0.00 43.02 42.89 2fmd s PHE 196 CO -0.02 -0.34 1.10 -0.51 -1.46 0.00 0.00 175.22 173.99 2fmd s ASP 197 N 1.50 6.96 -0.15 6.13 1.01 -1.26 -1.19 116.67 129.67 2fmd s ASP 197 Ca -0.09 1.21 -0.23 0.00 0.71 0.00 0.00 52.55 54.15 2fmd s ASP 197 Cb -0.09 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.36 2fmd s ASP 197 CO -0.12 -0.83 0.60 0.54 0.21 0.00 0.00 175.17 175.57 2fmd s VAL 198 N 3.57 0.01 -0.60 -1.27 0.11 -0.70 -4.98 120.40 116.53 2fmd s VAL 198 Ca 0.47 -0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.34 2fmd s VAL 198 Cb -0.14 -0.86 0.15 0.00 -1.53 0.00 0.00 36.38 34.00 2fmd s VAL 198 CO 0.13 -0.03 0.52 -0.70 -3.33 0.00 0.00 175.10 171.69 2fmd s GLU 199 N -0.29 2.96 0.43 1.54 2.12 -1.26 -3.99 118.70 120.21 2fmd s GLU 199 Ca -0.05 -1.98 0.24 0.00 0.36 0.00 0.00 54.97 53.54 2fmd s GLU 199 Cb -0.03 -4.18 1.25 0.00 0.26 0.00 0.00 34.13 31.43 2fmd s GLU 199 CO 0.04 -1.27 1.74 -0.07 -0.54 0.00 0.00 175.26 175.16 2fmd h LEU 200 N 8.34 0.33 0.00 2.70 3.38 -1.96 -0.46 115.31 127.64 2fmd h LEU 200 Ca -0.15 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2fmd h LEU 200 Cb 1.07 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2fmd h LEU 200 CO 0.89 0.01 0.00 -0.46 0.09 0.00 0.00 178.44 178.97 2fmd n ASN 201 N -4.56 0.00 -0.11 -0.43 0.23 -1.26 -0.85 115.26 108.28 2fmd n ASN 201 Ca 0.28 0.22 0.11 0.00 -0.53 0.00 0.00 54.58 54.66 2fmd n ASN 201 Cb 1.07 -0.32 0.02 0.00 -2.08 0.00 0.00 39.78 38.46 2fmd n ASN 201 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2fmd n ASN 202 N -1.32 1.08 0.00 0.53 4.13 -0.18 -4.38 115.26 115.11 2fmd n ASN 202 Ca 0.04 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.37 2fmd n ASN 202 Cb 0.07 0.68 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 2fmd n ASN 202 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2fmd n VAL 203 N -1.17 0.00 -4.28 2.41 0.24 -0.42 -5.05 118.33 110.06 2fmd n VAL 203 Ca 0.06 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.34 61.85 2fmd n VAL 203 Cb 0.36 1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.64 2fmd n VAL 203 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fmd s PRO 205 N -1.71 -0.10 0.15 0.00 0.04 -1.26 -4.62 135.00 127.50 2fmd s PRO 205 Ca 0.03 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 61.06 2fmd s PRO 205 Cb -0.10 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2fmd s PRO 205 CO 0.03 -3.00 1.69 0.00 0.04 0.00 0.00 177.00 175.75 2fmd s TRP 207 N -5.46 3.35 0.35 0.00 0.52 -1.26 -0.34 118.94 116.10 2fmd s TRP 207 Ca -0.13 0.30 0.00 0.00 0.02 0.00 0.00 56.10 56.29 2fmd s TRP 207 Cb 0.12 -1.90 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 2fmd s TRP 207 CO 0.78 0.52 0.44 0.14 0.02 0.00 0.00 176.95 178.85 2fmd s VAL 208 N -0.72 0.00 0.07 4.03 -7.23 0.09 -4.32 120.40 112.32 2fmd s VAL 208 Ca 0.12 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2fmd s VAL 208 Cb -0.12 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2fmd s VAL 208 CO 0.03 0.00 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.54 2fmd s ARG 209 N -3.06 0.85 0.12 4.82 0.52 -0.29 0.75 118.95 122.66 2fmd s ARG 209 Ca 0.33 -0.96 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 2fmd s ARG 209 Cb 0.00 -0.87 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 2fmd s ARG 209 CO 0.23 0.20 -0.21 0.14 0.02 0.00 0.00 175.30 175.68 2fmd s VAL 210 N -1.24 1.79 -0.91 3.52 -7.23 -1.26 -2.53 120.40 112.53 2fmd s VAL 210 Ca -0.01 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2fmd s VAL 210 Cb -0.10 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.17 2fmd s VAL 210 CO 0.02 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2fmd n GLY 211 N 0.83 -0.77 3.27 2.32 0.00 -0.89 -1.40 105.19 108.54 2fmd n GLY 211 Ca -0.17 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 2fmd n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fmd s PHE 212 N -4.00 1.41 0.01 1.61 0.08 -0.20 -0.86 117.98 116.03 2fmd s PHE 212 Ca 0.00 -0.66 -0.06 0.00 0.12 0.00 0.00 56.93 56.33 2fmd s PHE 212 Cb 0.00 -0.70 -0.00 0.00 -0.57 0.00 0.00 43.02 41.74 2fmd s PHE 212 CO 0.00 0.17 0.11 0.45 -0.10 0.00 0.00 175.22 175.84 2fmd s SER 213 N -3.01 0.08 0.12 1.36 0.15 -0.44 -1.40 113.70 110.57 2fmd s SER 213 Ca 0.16 -0.30 -0.25 0.00 0.70 0.00 0.00 55.95 56.26 2fmd s SER 213 Cb -0.00 0.19 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 2fmd s SER 213 CO 0.03 -0.38 0.69 0.00 1.20 0.00 0.00 173.24 174.77 2fmd s ALA 214 N -1.59 -1.65 0.18 5.45 0.00 -0.47 -0.71 121.76 122.97 2fmd s ALA 214 Ca -0.14 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 2fmd s ALA 214 Cb -0.07 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.84 2fmd s ALA 214 CO 0.00 -0.76 0.50 0.95 0.00 0.00 0.00 175.76 176.46 2fmd s THR 215 N -3.58 0.03 0.16 0.00 -4.23 -0.75 -2.10 115.64 105.18 2fmd s THR 215 Ca 0.03 -0.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 2fmd s THR 215 Cb -0.01 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 2fmd s THR 215 CO -0.11 -0.15 -0.11 0.42 -0.54 0.00 0.00 174.62 174.13 2fmd s THR 216 N -3.85 1.32 0.00 3.99 -4.23 -0.81 -0.51 115.64 111.55 2fmd s THR 216 Ca 0.07 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2fmd s THR 216 Cb -0.00 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.94 2fmd s THR 216 CO -0.06 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 2fmd n GLY 217 N -0.25 2.71 0.23 3.99 0.00 -1.26 -3.25 105.19 107.36 2fmd n GLY 217 Ca -0.10 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 2fmd n GLY 217 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2fmd h GLN 218 N 0.00 0.81 -6.36 1.61 4.15 -1.96 -0.59 115.11 112.77 2fmd h GLN 218 Ca 0.00 -0.59 -0.49 0.00 0.77 0.00 0.00 58.65 58.34 2fmd h GLN 218 Cb 0.00 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2fmd h GLN 218 CO 0.00 1.21 -0.29 0.71 -1.93 0.00 0.00 178.83 178.53 2fmd s TYR 219 N -3.92 3.48 0.34 3.99 2.02 -1.26 -4.87 117.35 117.13 2fmd s TYR 219 Ca -0.11 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 2fmd s TYR 219 Cb 0.09 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 2fmd s TYR 219 CO 0.89 0.27 0.07 0.95 -1.57 0.00 0.00 175.55 176.17 2fmd s THR 220 N -2.10 1.03 -0.26 -0.71 -4.23 -1.25 -4.32 115.64 103.80 2fmd s THR 220 Ca 0.38 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.52 2fmd s THR 220 Cb -0.10 -2.69 0.16 0.00 1.34 0.00 0.00 72.50 71.20 2fmd s THR 220 CO 0.32 0.00 1.33 0.00 -0.54 0.00 0.00 174.62 175.73 2fmd s GLN 221 N -3.87 0.11 0.43 3.99 -2.07 -1.13 -2.26 119.66 114.86 2fmd s GLN 221 Ca 0.34 -0.04 -0.13 0.00 -1.82 0.00 0.00 55.36 53.72 2fmd s GLN 221 Cb 0.07 0.05 -0.07 0.00 -1.09 0.00 0.00 33.01 31.98 2fmd s GLN 221 CO 0.15 -0.05 0.83 0.95 -1.32 0.00 0.00 175.29 175.86 2fmd s THR 222 N -2.05 4.70 -0.46 3.63 -4.23 0.31 -4.82 115.64 112.72 2fmd s THR 222 Ca 0.11 0.83 0.06 0.00 -1.18 0.00 0.00 61.69 61.51 2fmd s THR 222 Cb -0.01 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.33 2fmd s THR 222 CO -0.03 -0.55 0.50 0.59 -0.54 0.00 0.00 174.62 174.59 2fmd n ASN 223 N -1.31 0.77 -4.67 3.99 3.02 -1.26 -3.78 115.26 112.02 2fmd n ASN 223 Ca 0.04 -2.76 -0.35 0.00 -0.03 0.00 0.00 54.58 51.48 2fmd n ASN 223 Cb 0.54 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 2fmd n ASN 223 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2fmd s ASN 224 N -1.05 5.97 -0.22 6.41 0.01 -0.82 -1.41 114.94 123.84 2fmd s ASN 224 Ca 0.34 0.14 -0.14 0.00 -0.71 0.00 0.00 52.86 52.49 2fmd s ASN 224 Cb 0.11 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.68 2fmd s ASN 224 CO -0.13 0.14 0.32 -0.63 -1.51 0.00 0.00 177.10 175.30 2fmd s ILE 225 N 0.57 5.25 -0.15 0.60 -1.09 0.16 -0.71 121.20 125.83 2fmd s ILE 225 Ca 0.06 0.54 0.06 0.00 -2.23 0.00 0.00 60.65 59.08 2fmd s ILE 225 Cb -0.12 -3.66 -0.23 0.00 -1.58 0.00 0.00 42.46 36.87 2fmd s ILE 225 CO 0.00 0.27 0.24 0.18 -1.23 0.00 0.00 174.94 174.41 2fmd n LEU 226 N 4.47 1.66 -3.66 2.97 4.77 0.19 -0.39 117.00 127.00 2fmd n LEU 226 Ca -0.10 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2fmd n LEU 226 Cb 0.51 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2fmd n LEU 226 CO 0.38 0.67 0.16 0.00 -1.33 0.00 0.00 177.39 177.27 2fmd s ALA 227 N -2.55 -1.02 -0.27 -1.18 0.00 -1.22 -4.00 121.76 111.52 2fmd s ALA 227 Ca -0.18 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 2fmd s ALA 227 Cb 0.07 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.62 2fmd s ALA 227 CO 0.76 -0.45 0.64 -0.46 0.00 0.00 0.00 175.76 176.25 2fmd s TRP 228 N -2.41 -1.10 0.03 0.00 -0.00 0.24 -1.82 118.94 113.88 2fmd s TRP 228 Ca -0.06 2.10 0.07 0.00 -0.00 0.00 0.00 56.10 58.21 2fmd s TRP 228 Cb -0.01 0.64 -0.02 0.00 -0.00 0.00 0.00 33.47 34.08 2fmd s TRP 228 CO -0.02 -0.55 -0.21 -1.54 -0.00 0.00 0.00 176.95 174.63 2fmd s SER 229 N 2.02 2.48 0.01 5.86 1.04 -0.07 0.03 113.70 125.07 2fmd s SER 229 Ca -0.08 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2fmd s SER 229 Cb -0.08 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 2fmd s SER 229 CO -0.19 0.19 -0.02 0.12 0.98 0.00 0.00 173.24 174.33 2fmd s PHE 230 N -0.71 0.15 -0.08 5.02 5.36 -0.20 -1.64 117.98 125.88 2fmd s PHE 230 Ca 0.08 -0.21 -0.06 0.00 -0.96 0.00 0.00 56.93 55.78 2fmd s PHE 230 Cb -0.09 -0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.52 2fmd s PHE 230 CO 0.01 -0.07 0.20 -0.98 -1.46 0.00 0.00 175.22 172.93 2fmd s ARG 231 N -0.58 0.21 -0.03 10.12 1.04 -0.30 -1.49 118.95 127.93 2fmd s ARG 231 Ca -0.06 0.34 -0.05 0.00 -1.04 0.00 0.00 55.73 54.93 2fmd s ARG 231 Cb -0.04 0.03 0.01 0.00 -2.04 0.00 0.00 34.95 32.91 2fmd s ARG 231 CO -0.00 -0.07 0.12 0.45 -0.04 0.00 0.00 175.30 175.76 2fmd s SER 232 N 0.46 -0.08 -0.04 -2.89 0.15 0.07 -1.00 113.70 110.37 2fmd s SER 232 Ca -0.03 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2fmd s SER 232 Cb -0.04 0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.53 2fmd s SER 232 CO -0.02 -0.12 0.25 -0.94 1.20 0.00 0.00 173.24 173.61 2fmd s SER 233 N -0.29 -0.17 -0.21 5.45 1.04 -0.13 -0.87 113.70 118.53 2fmd s SER 233 Ca -0.04 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.59 2fmd s SER 233 Cb -0.03 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.51 2fmd s SER 233 CO 0.00 -0.29 -0.15 -0.76 0.98 0.00 0.00 173.24 173.02 2fmd s LEU 234 N -0.78 2.57 -0.14 2.42 1.43 0.24 -1.69 118.68 122.73 2fmd s LEU 234 Ca -0.09 -0.94 -0.07 0.00 -1.03 0.00 0.00 54.13 52.01 2fmd s LEU 234 Cb -0.05 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2fmd s LEU 234 CO 0.02 -0.09 0.09 -0.04 0.23 0.00 0.00 176.35 176.55 2fmd s MET 235 N 1.26 3.63 0.00 1.70 -1.94 -0.10 -4.79 119.30 119.06 2fmd s MET 235 Ca -0.01 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 2fmd s MET 235 Cb -0.16 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.53 2fmd s MET 235 CO -0.09 0.54 0.32 0.41 -0.01 0.00 0.00 175.02 176.19