#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 n SER 2 N 0.00 3.40 0.03 1.61 7.64 -1.26 -4.88 113.62 120.16 1wk0 n SER 2 Ca 0.00 0.91 -0.13 0.00 1.01 0.00 0.00 58.87 60.66 1wk0 n SER 2 Cb 0.00 -1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 61.73 1wk0 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wk0 h SER 3 N 9.72 -0.06 0.00 6.43 0.87 -2.06 -3.49 113.55 124.96 1wk0 h SER 3 Ca -0.47 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1wk0 h SER 3 Cb 1.27 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1wk0 h SER 3 CO 0.95 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 1wk0 n GLY 4 N -0.18 -0.72 0.10 5.77 0.00 -1.26 -4.97 105.19 103.92 1wk0 n GLY 4 Ca -0.08 0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1wk0 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wk0 h SER 5 N 0.00 0.23 -2.95 1.61 0.87 -2.03 -3.45 113.55 107.83 1wk0 h SER 5 Ca 0.00 -0.64 -0.47 0.00 -1.23 0.00 0.00 61.79 59.45 1wk0 h SER 5 Cb 0.00 -0.07 0.22 0.00 -0.44 0.00 0.00 62.40 62.11 1wk0 h SER 5 CO 0.00 0.83 -0.59 -1.54 -0.53 0.00 0.00 176.83 175.00 1wk0 n SER 6 N -4.58 -1.91 0.00 6.23 3.41 -1.26 -5.01 113.62 110.50 1wk0 n SER 6 Ca -0.08 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1wk0 n SER 6 Cb 0.42 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1wk0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wk0 n GLY 7 N 1.50 4.42 0.11 5.00 0.00 -1.26 -4.83 105.19 110.13 1wk0 n GLY 7 Ca 0.03 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wk0 h ASP 8 N 0.00 0.39 -1.52 1.61 3.04 -2.01 -3.31 116.42 114.62 1wk0 h ASP 8 Ca 0.00 -0.96 0.49 0.00 -3.24 0.00 0.00 57.03 53.32 1wk0 h ASP 8 Cb 0.00 -0.13 -0.11 0.00 -1.04 0.00 0.00 39.33 38.05 1wk0 h ASP 8 CO 0.00 1.34 1.03 -0.62 -2.04 0.00 0.00 179.24 178.94 1wk0 n GLU 9 N -4.20 -0.02 -0.06 4.15 -0.58 -1.26 0.19 120.64 118.87 1wk0 n GLU 9 Ca -0.14 1.15 -0.14 0.00 -0.42 0.00 0.00 57.16 57.61 1wk0 n GLU 9 Cb 0.77 -2.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.19 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wk0 h GLU 10 N 0.00 0.55 -0.73 3.49 3.07 -1.96 -3.15 114.58 115.86 1wk0 h GLU 10 Ca 0.87 -0.36 0.05 0.00 -0.50 0.00 0.00 59.36 59.42 1wk0 h GLU 10 Cb 3.04 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 30.94 1wk0 h GLU 10 CO -0.30 0.97 0.43 1.15 -1.40 0.00 0.00 179.01 179.86 1wk0 h THR 11 N 0.21 1.02 0.24 1.13 2.02 0.20 -2.35 112.91 115.37 1wk0 h THR 11 Ca 0.01 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1wk0 h THR 11 Cb 0.95 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1wk0 h THR 11 CO 0.08 0.15 -0.37 0.11 0.37 0.00 0.00 175.52 175.86 1wk0 h LYS 12 N 0.80 -0.65 -0.85 6.66 1.57 -1.42 0.19 116.57 122.88 1wk0 h LYS 12 Ca 0.32 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.32 1wk0 h LYS 12 Cb 0.14 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1wk0 h LYS 12 CO -0.16 -0.43 0.56 0.00 -0.57 0.00 0.00 179.45 178.85 1wk0 h ALA 13 N -0.17 2.18 -0.13 3.86 0.00 -1.46 0.06 119.26 123.60 1wk0 h ALA 13 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1wk0 h ALA 13 Cb 0.65 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1wk0 h ALA 13 CO -0.14 -0.44 -0.79 0.74 0.00 0.00 0.00 179.25 178.62 1wk0 h PHE 14 N 0.40 0.95 -0.33 0.00 0.04 -0.75 0.28 116.94 117.53 1wk0 h PHE 14 Ca 0.43 -0.43 0.03 0.00 2.80 0.00 0.00 57.97 60.80 1wk0 h PHE 14 Cb 1.06 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 1wk0 h PHE 14 CO -0.00 1.25 0.22 0.93 -0.60 0.00 0.00 178.31 180.11 1wk0 h GLU 15 N 0.47 0.32 0.01 1.51 5.08 0.13 0.18 114.58 122.29 1wk0 h GLU 15 Ca -0.05 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 1wk0 h GLU 15 Cb 1.41 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 1wk0 h GLU 15 CO 0.16 0.21 -1.76 0.00 -1.00 0.00 0.00 179.01 176.62 1wk0 n ALA 16 N -2.51 0.94 0.05 3.43 0.00 -0.93 -3.81 120.51 117.68 1wk0 n ALA 16 Ca 0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.66 1wk0 n ALA 16 Cb 0.16 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 1wk0 n ALA 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wk0 h LEU 17 N -0.83 -0.33 -2.08 0.00 5.85 -0.37 -1.26 115.31 116.29 1wk0 h LEU 17 Ca -0.47 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.35 1wk0 h LEU 17 Cb 1.50 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1wk0 h LEU 17 CO -0.23 -0.16 0.14 -0.07 -0.34 0.00 0.00 178.44 177.78 1wk0 h LEU 18 N -0.20 0.00 -3.89 2.25 3.38 -0.83 0.39 115.31 116.41 1wk0 h LEU 18 Ca 0.04 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.62 1wk0 h LEU 18 Cb 0.25 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.76 1wk0 h LEU 18 CO -0.11 0.00 0.49 -1.54 0.09 0.00 0.00 178.44 177.37 1wk0 n SER 19 N -4.30 4.26 -0.94 -0.43 3.41 -0.54 -4.21 113.62 110.86 1wk0 n SER 19 Ca 0.01 -3.44 0.01 0.00 -0.26 0.00 0.00 58.87 55.19 1wk0 n SER 19 Cb 0.28 -0.80 0.16 0.00 -0.26 0.00 0.00 64.21 63.59 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wk0 n ASN 20 N -0.70 2.21 -4.99 4.04 2.85 0.13 -4.81 115.26 113.99 1wk0 n ASN 20 Ca 0.52 -3.72 -0.19 0.00 -0.11 0.00 0.00 54.58 51.08 1wk0 n ASN 20 Cb 1.56 -0.48 0.02 0.00 1.24 0.00 0.00 39.78 42.12 1wk0 n ASN 20 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1wk0 s ILE 21 N -3.25 2.87 -0.14 -1.44 -0.00 -1.26 -1.67 121.20 116.31 1wk0 s ILE 21 Ca 0.40 -0.83 -0.05 0.00 -0.00 0.00 0.00 60.65 60.17 1wk0 s ILE 21 Cb 0.38 -3.02 -0.04 0.00 -0.00 0.00 0.00 42.46 39.78 1wk0 s ILE 21 CO -0.06 -0.01 0.06 -0.69 -0.00 0.00 0.00 174.94 174.24 1wk0 s VAL 22 N -2.55 4.79 0.39 8.37 1.01 -1.25 -4.78 120.40 126.38 1wk0 s VAL 22 Ca 0.56 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 1wk0 s VAL 22 Cb -0.10 -3.09 -0.13 0.00 0.00 0.00 0.00 36.38 33.06 1wk0 s VAL 22 CO 0.36 0.55 0.68 2.29 0.00 0.00 0.00 175.10 178.97 1wk0 n LYS 23 N 2.70 0.75 -1.18 2.72 2.85 -1.26 -4.27 118.16 120.48 1wk0 n LYS 23 Ca -0.18 0.27 -0.29 0.00 -1.05 0.00 0.00 58.31 57.06 1wk0 n LYS 23 Cb 0.53 -1.60 0.16 0.00 -0.65 0.00 0.00 35.03 33.48 1wk0 n LYS 23 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1wk0 s PRO 24 N -1.61 0.73 -0.01 -1.58 0.04 -1.26 -4.78 135.00 126.53 1wk0 s PRO 24 Ca 0.63 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1wk0 s PRO 24 Cb -0.63 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.15 1wk0 s PRO 24 CO 0.58 -2.55 -0.00 0.08 0.04 0.00 0.00 177.00 175.14 1wk0 s VAL 25 N -2.95 0.07 0.02 -0.36 1.01 -0.69 -4.77 120.40 112.73 1wk0 s VAL 25 Ca 0.65 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 1wk0 s VAL 25 Cb -0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 1wk0 s VAL 25 CO 0.57 0.05 0.46 0.00 0.00 0.00 0.00 175.10 176.19 1wk0 s ALA 26 N 0.29 3.65 0.00 5.51 0.00 -1.26 -1.39 121.76 128.56 1wk0 s ALA 26 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1wk0 s ALA 26 Cb -0.04 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1wk0 s ALA 26 CO -0.01 0.43 0.00 0.45 0.00 0.00 0.00 175.76 176.63 1wk0 n SER 27 N 1.88 0.00 -3.16 0.00 2.88 -1.06 -4.90 113.62 109.27 1wk0 n SER 27 Ca -0.12 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.06 1wk0 n SER 27 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1wk0 n SER 27 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wk0 n ASP 28 N -1.56 8.39 -4.70 -3.46 8.00 -1.26 -4.88 116.55 117.08 1wk0 n ASP 28 Ca 0.00 -2.56 -0.42 0.00 0.71 0.00 0.00 54.79 52.52 1wk0 n ASP 28 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.53 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wk0 s ILE 29 N 2.03 3.24 0.24 0.53 1.01 -1.26 -3.08 121.20 123.91 1wk0 s ILE 29 Ca 0.70 0.78 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1wk0 s ILE 29 Cb 0.20 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1wk0 s ILE 29 CO -0.05 0.03 0.01 0.00 0.00 0.00 0.00 174.94 174.92 1wk0 n GLN 30 N 4.81 1.32 0.00 2.79 6.02 0.25 -4.77 117.38 127.80 1wk0 n GLN 30 Ca 0.13 -1.77 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1wk0 n GLN 30 Cb 0.42 0.54 0.00 0.00 1.02 0.00 0.00 30.24 32.21 1wk0 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk0 n ALA 31 N -2.20 0.00 -0.02 -1.58 0.00 -1.26 -3.53 120.51 111.92 1wk0 n ALA 31 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1wk0 n ALA 31 Cb 0.31 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 1wk0 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wk0 n ARG 32 N -2.68 2.51 -3.40 0.00 1.74 -1.26 -3.73 116.66 109.84 1wk0 n ARG 32 Ca 0.00 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 1wk0 n ARG 32 Cb 0.00 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1wk0 n ARG 32 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wk0 s THR 33 N -2.15 5.06 0.11 0.55 -4.23 -1.26 -3.93 115.64 109.79 1wk0 s THR 33 Ca -0.02 -0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.22 1wk0 s THR 33 Cb 0.02 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 70.16 1wk0 s THR 33 CO 0.17 -0.33 0.49 0.68 -0.54 0.00 0.00 174.62 175.10 1wk0 s VAL 34 N -2.08 0.04 -0.57 2.29 -7.23 -1.22 0.88 120.40 112.51 1wk0 s VAL 34 Ca 0.43 -0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 60.13 1wk0 s VAL 34 Cb -0.11 -1.06 0.14 0.00 0.56 0.00 0.00 36.38 35.92 1wk0 s VAL 34 CO 0.31 -0.17 0.52 -0.69 -0.31 0.00 0.00 175.10 174.76 1wk0 s VAL 35 N -3.32 5.19 -0.22 1.32 1.01 -1.18 -1.53 120.40 121.67 1wk0 s VAL 35 Ca -0.00 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.16 1wk0 s VAL 35 Cb 0.00 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1wk0 s VAL 35 CO -0.09 -0.88 0.49 -0.22 0.00 0.00 0.00 175.10 174.40 1wk0 s LEU 36 N 1.40 4.11 -0.14 3.92 2.96 -0.70 -2.55 118.68 127.68 1wk0 s LEU 36 Ca 0.05 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1wk0 s LEU 36 Cb -0.27 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.77 1wk0 s LEU 36 CO 0.01 -0.20 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.75 1wk0 s THR 37 N 1.84 2.23 0.11 3.68 2.01 -0.49 -2.41 115.64 122.62 1wk0 s THR 37 Ca 0.22 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1wk0 s THR 37 Cb -0.15 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1wk0 s THR 37 CO 0.09 0.54 -0.05 -1.66 -0.69 0.00 0.00 174.62 172.86 1wk0 s TRP 38 N 0.78 0.89 0.17 4.92 -2.14 -1.26 -1.71 118.94 120.60 1wk0 s TRP 38 Ca -0.07 -0.96 0.05 0.00 2.66 0.00 0.00 56.10 57.77 1wk0 s TRP 38 Cb -0.16 -0.53 -0.04 0.00 -3.10 0.00 0.00 33.47 29.65 1wk0 s TRP 38 CO -0.01 -0.20 0.16 -1.12 -2.66 0.00 0.00 176.95 173.12 1wk0 s SER 39 N -3.05 5.62 0.91 -2.66 0.01 -1.26 -4.66 113.70 108.62 1wk0 s SER 39 Ca 0.14 -0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.17 1wk0 s SER 39 Cb 0.06 -1.50 0.14 0.00 0.21 0.00 0.00 66.02 64.93 1wk0 s SER 39 CO -0.04 0.05 1.09 -2.16 0.41 0.00 0.00 173.24 172.60 1wk0 s PRO 40 N -3.20 1.11 0.62 12.44 0.04 -1.26 -3.77 135.00 140.99 1wk0 s PRO 40 Ca 0.32 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 1wk0 s PRO 40 Cb -0.10 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1wk0 s PRO 40 CO 0.24 -2.33 1.12 -1.25 0.04 0.00 0.00 177.00 174.82 1wk0 s PRO 41 N -4.94 2.97 -0.31 0.56 0.04 -1.26 -4.51 135.00 127.54 1wk0 s PRO 41 Ca 0.64 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 1wk0 s PRO 41 Cb -0.18 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1wk0 s PRO 41 CO 0.57 -1.13 0.45 -1.12 0.04 0.00 0.00 177.00 175.81 1wk0 s SER 42 N -2.34 6.30 0.00 6.66 0.01 -0.67 -4.92 113.70 118.74 1wk0 s SER 42 Ca 0.69 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.78 1wk0 s SER 42 Cb -0.21 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 1wk0 s SER 42 CO 0.37 -0.34 1.66 -0.94 0.41 0.00 0.00 173.24 174.40 1wk0 s SER 43 N 1.68 6.64 -0.25 2.44 1.04 -1.26 -4.84 113.70 119.15 1wk0 s SER 43 Ca 0.17 2.35 0.14 0.00 0.48 0.00 0.00 55.95 59.09 1wk0 s SER 43 Cb -0.16 -2.55 0.79 0.00 0.10 0.00 0.00 66.02 64.21 1wk0 s SER 43 CO 0.11 -0.90 1.74 0.18 0.98 0.00 0.00 173.24 175.35 1wk0 n LEU 44 N 6.46 5.68 0.00 2.42 4.77 -1.26 -4.43 117.00 130.64 1wk0 n LEU 44 Ca 0.17 -2.99 0.07 0.00 -0.03 0.00 0.00 56.01 53.23 1wk0 n LEU 44 Cb 0.42 -0.69 0.42 0.00 -2.33 0.00 0.00 43.42 41.24 1wk0 n LEU 44 CO 0.63 0.66 0.68 -0.38 -1.33 0.00 0.00 177.39 177.64 1wk0 n ILE 45 N 0.42 0.24 -2.04 -0.08 2.08 -1.26 -4.82 119.36 113.90 1wk0 n ILE 45 Ca 0.29 0.06 -0.14 0.00 0.56 0.00 0.00 62.75 63.52 1wk0 n ILE 45 Cb 1.21 -0.82 -0.02 0.00 -0.75 0.00 0.00 39.64 39.26 1wk0 n ILE 45 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1wk0 n ASN 46 N -1.12 -4.40 0.00 4.38 3.02 -1.26 -1.96 115.26 113.92 1wk0 n ASN 46 Ca 0.10 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1wk0 n ASN 46 Cb 0.08 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wk0 n GLY 47 N -1.08 2.08 0.34 7.41 0.00 -1.26 -4.82 105.19 107.87 1wk0 n GLY 47 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1wk0 n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wk0 h GLU 48 N 1.74 0.00 -6.43 1.61 4.57 -1.79 -3.39 114.58 110.88 1wk0 h GLU 48 Ca 0.00 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 1wk0 h GLU 48 Cb 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.46 1wk0 h GLU 48 CO 0.00 0.00 -0.69 -0.08 -1.18 0.00 0.00 179.01 177.06 1wk0 s THR 49 N -4.07 3.67 0.69 0.32 -1.32 -1.26 -5.10 115.64 108.56 1wk0 s THR 49 Ca -0.02 -1.21 -0.17 0.00 -1.21 0.00 0.00 61.69 59.08 1wk0 s THR 49 Cb 0.05 -2.76 0.01 0.00 -1.51 0.00 0.00 72.50 68.29 1wk0 s THR 49 CO 0.17 0.06 1.25 -0.67 -2.21 0.00 0.00 174.62 173.22 1wk0 n ASP 50 N 0.46 1.74 -0.30 8.08 2.03 -1.26 -4.91 116.55 122.39 1wk0 n ASP 50 Ca -0.12 0.77 -0.05 0.00 0.52 0.00 0.00 54.79 55.91 1wk0 n ASP 50 Cb 0.53 -1.54 0.07 0.00 -0.72 0.00 0.00 41.12 39.46 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wk0 h GLU 51 N 0.18 1.17 -1.24 -0.67 4.39 -1.99 -2.55 114.58 113.87 1wk0 h GLU 51 Ca -0.50 -0.18 -0.46 0.00 0.34 0.00 0.00 59.36 58.56 1wk0 h GLU 51 Cb 1.33 -0.21 -0.21 0.00 -0.10 0.00 0.00 28.75 29.57 1wk0 h GLU 51 CO 0.51 0.92 0.59 0.45 -1.16 0.00 0.00 179.01 180.32 1wk0 n SER 52 N -4.33 6.42 -0.08 1.42 2.88 -1.26 -4.21 113.62 114.47 1wk0 n SER 52 Ca 0.08 -3.34 -0.15 0.00 -1.33 0.00 0.00 58.87 54.12 1wk0 n SER 52 Cb 0.15 -0.98 -0.06 0.00 -0.75 0.00 0.00 64.21 62.57 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wk0 n SER 53 N -0.28 1.73 -4.74 -3.46 2.88 -0.96 -4.99 113.62 103.79 1wk0 n SER 53 Ca 0.44 0.10 -0.41 0.00 -1.33 0.00 0.00 58.87 57.67 1wk0 n SER 53 Cb 0.74 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1wk0 n SER 53 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1wk0 s VAL 54 N -2.30 2.75 0.87 2.46 -7.23 -1.26 -5.00 120.40 110.69 1wk0 s VAL 54 Ca -0.22 0.61 -0.11 0.00 -1.81 0.00 0.00 61.98 60.45 1wk0 s VAL 54 Cb 0.08 -3.39 0.11 0.00 0.56 0.00 0.00 36.38 33.74 1wk0 s VAL 54 CO 0.31 0.09 1.09 -2.16 -0.31 0.00 0.00 175.10 174.12 1wk0 s PRO 55 N -0.09 1.51 -0.12 4.82 0.04 -1.26 -5.00 135.00 134.90 1wk0 s PRO 55 Ca 0.61 0.91 0.17 0.00 0.04 0.00 0.00 61.00 62.73 1wk0 s PRO 55 Cb -0.41 -1.83 0.42 0.00 0.04 0.00 0.00 34.50 32.72 1wk0 s PRO 55 CO 0.41 -2.09 1.20 -0.85 0.04 0.00 0.00 177.00 175.70 1wk0 n GLU 56 N -3.79 0.91 -0.54 4.56 0.28 -1.26 -4.74 120.64 116.06 1wk0 n GLU 56 Ca 0.08 -2.74 0.03 0.00 -0.16 0.00 0.00 57.16 54.36 1wk0 n GLU 56 Cb 0.55 -0.93 0.21 0.00 1.43 0.00 0.00 31.44 32.70 1wk0 n GLU 56 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wk0 n LEU 57 N -0.43 3.60 -4.53 -1.84 7.99 -1.26 -4.88 117.00 115.64 1wk0 n LEU 57 Ca 0.13 -3.43 -0.38 0.00 -0.01 0.00 0.00 56.01 52.33 1wk0 n LEU 57 Cb 0.88 -0.56 -0.07 0.00 -0.11 0.00 0.00 43.42 43.57 1wk0 n LEU 57 CO -0.04 0.99 2.09 -1.22 -1.51 0.00 0.00 177.39 177.70 1wk0 n TYR 58 N -0.98 1.17 -1.48 -1.77 4.01 -1.26 -4.79 117.16 112.06 1wk0 n TYR 58 Ca 0.25 0.20 -0.46 0.00 -0.16 0.00 0.00 57.90 57.73 1wk0 n TYR 58 Cb 0.89 -2.56 -0.08 0.00 -0.31 0.00 0.00 39.34 37.28 1wk0 n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wk0 n GLY 59 N 6.16 0.26 3.65 2.72 0.00 0.58 -4.53 105.19 114.04 1wk0 n GLY 59 Ca 0.46 0.91 -0.39 0.00 0.00 0.00 0.00 46.02 47.00 1wk0 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk0 s TYR 60 N 8.67 3.33 -0.20 1.61 2.02 0.19 -0.37 117.35 132.61 1wk0 s TYR 60 Ca 1.12 0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 58.40 1wk0 s TYR 60 Cb -0.78 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.15 1wk0 s TYR 60 CO 0.44 -0.12 -0.01 -2.00 -1.57 0.00 0.00 175.55 172.29 1wk0 s GLU 61 N 1.70 3.59 -0.53 -0.62 2.56 0.10 -2.84 118.70 122.66 1wk0 s GLU 61 Ca 0.20 -0.54 -0.22 0.00 0.00 0.00 0.00 54.97 54.41 1wk0 s GLU 61 Cb -0.15 -3.05 0.05 0.00 2.00 0.00 0.00 34.13 32.98 1wk0 s GLU 61 CO 0.09 0.01 0.82 0.08 -0.56 0.00 0.00 175.26 175.70 1wk0 s VAL 62 N 0.99 4.58 -0.04 3.70 1.01 -1.04 -1.51 120.40 128.08 1wk0 s VAL 62 Ca 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 1wk0 s VAL 62 Cb -0.14 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1wk0 s VAL 62 CO 0.01 -0.97 0.16 -0.76 0.00 0.00 0.00 175.10 173.54 1wk0 s LEU 63 N 3.44 4.34 0.01 3.92 1.43 -0.86 -2.37 118.68 128.59 1wk0 s LEU 63 Ca 0.25 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.65 1wk0 s LEU 63 Cb -0.15 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 1wk0 s LEU 63 CO 0.17 0.31 0.13 0.27 0.23 0.00 0.00 176.35 177.46 1wk0 s ILE 64 N -1.22 0.09 -0.17 -0.59 -4.36 -0.34 -1.43 121.20 113.18 1wk0 s ILE 64 Ca 0.23 -0.73 -0.05 0.00 -0.26 0.00 0.00 60.65 59.84 1wk0 s ILE 64 Cb -0.12 -0.45 0.06 0.00 1.25 0.00 0.00 42.46 43.20 1wk0 s ILE 64 CO 0.14 -0.40 0.10 -0.55 0.24 0.00 0.00 174.94 174.46 1wk0 s SER 65 N -1.44 2.31 0.39 4.36 0.15 -1.21 0.19 113.70 118.45 1wk0 s SER 65 Ca -0.14 -0.60 0.26 0.00 0.70 0.00 0.00 55.95 56.16 1wk0 s SER 65 Cb -0.07 -0.22 0.67 0.00 -1.71 0.00 0.00 66.02 64.69 1wk0 s SER 65 CO 0.01 -0.35 1.72 0.77 1.20 0.00 0.00 173.24 176.59 1wk0 h SER 66 N 8.42 0.00 -0.01 5.45 4.64 -1.90 -3.28 113.55 126.87 1wk0 h SER 66 Ca -0.15 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 1wk0 h SER 66 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1wk0 h SER 66 CO 0.29 0.00 -0.16 0.74 -0.87 0.00 0.00 176.83 176.83 1wk0 h THR 67 N 0.00 1.56 0.00 2.95 2.02 -1.94 -3.48 112.91 114.02 1wk0 h THR 67 Ca 0.00 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1wk0 h THR 67 Cb 0.81 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1wk0 h THR 67 CO 0.00 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.00 1wk0 n GLY 68 N 0.99 -1.25 0.10 2.16 0.00 -1.24 -5.03 105.19 100.92 1wk0 n GLY 68 Ca -0.09 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1wk0 n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wk0 n LYS 69 N -0.03 0.67 -1.54 1.61 4.81 -1.26 -4.27 118.16 118.15 1wk0 n LYS 69 Ca 0.00 0.22 -0.32 0.00 -0.87 0.00 0.00 58.31 57.34 1wk0 n LYS 69 Cb 0.00 -1.71 0.02 0.00 0.02 0.00 0.00 35.03 33.36 1wk0 n LYS 69 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1wk0 n ASP 70 N -3.09 7.10 0.00 3.14 2.03 -1.26 -4.91 116.55 119.56 1wk0 n ASP 70 Ca -0.25 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.53 1wk0 n ASP 70 Cb 1.07 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wk0 n GLY 71 N -0.05 4.71 3.83 0.27 0.00 -1.26 -5.15 105.19 107.53 1wk0 n GLY 71 Ca 0.51 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1wk0 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wk0 s LYS 72 N 1.03 4.15 0.48 1.61 2.20 -1.26 -5.03 119.74 122.92 1wk0 s LYS 72 Ca 0.00 1.04 0.05 0.00 -0.36 0.00 0.00 55.97 56.70 1wk0 s LYS 72 Cb 0.00 -2.20 -0.02 0.00 -1.51 0.00 0.00 37.83 34.11 1wk0 s LYS 72 CO 0.00 -0.06 0.19 0.71 -0.36 0.00 0.00 175.35 175.83 1wk0 s TYR 73 N -2.25 2.11 0.05 4.03 1.51 -1.26 -4.63 117.35 116.92 1wk0 s TYR 73 Ca 0.61 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1wk0 s TYR 73 Cb -0.09 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1wk0 s TYR 73 CO 0.17 0.01 -0.07 0.21 -1.11 0.00 0.00 175.55 174.76 1wk0 s LYS 74 N -4.00 0.58 0.01 -0.62 2.20 0.13 -4.89 119.74 113.16 1wk0 s LYS 74 Ca 0.29 -0.88 -0.18 0.00 -0.36 0.00 0.00 55.97 54.84 1wk0 s LYS 74 Cb 0.02 -0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 36.03 1wk0 s LYS 74 CO 0.17 0.03 0.53 -1.54 -0.36 0.00 0.00 175.35 174.17 1wk0 s SER 75 N -1.89 6.93 0.00 1.43 1.04 -1.26 -1.20 113.70 118.75 1wk0 s SER 75 Ca -0.06 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1wk0 s SER 75 Cb -0.07 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1wk0 s SER 75 CO -0.01 0.21 0.00 1.33 0.98 0.00 0.00 173.24 175.75 1wk0 n VAL 76 N 2.25 0.00 -3.74 5.02 0.24 -1.00 -5.00 118.33 116.11 1wk0 n VAL 76 Ca -0.10 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.09 1wk0 n VAL 76 Cb 0.51 -0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 32.02 1wk0 n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1wk0 s TYR 77 N -1.81 -0.10 -0.26 6.34 6.14 -1.26 -4.53 117.35 121.87 1wk0 s TYR 77 Ca 0.00 -0.12 -0.06 0.00 0.64 0.00 0.00 57.07 57.53 1wk0 s TYR 77 Cb 0.00 0.11 0.13 0.00 0.42 0.00 0.00 41.96 42.63 1wk0 s TYR 77 CO 0.00 -0.56 0.52 0.08 0.64 0.00 0.00 175.55 176.23 1wk0 s VAL 78 N -3.03 -0.83 0.00 3.14 1.01 -1.26 -2.48 120.40 116.95 1wk0 s VAL 78 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1wk0 s VAL 78 Cb 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1wk0 s VAL 78 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1wk0 n GLY 79 N 5.41 2.90 0.02 4.51 0.00 -1.13 -5.01 105.19 111.89 1wk0 n GLY 79 Ca -0.07 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1wk0 n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wk0 n GLU 80 N 0.00 3.01 -1.89 1.61 4.71 -1.26 -0.64 120.64 126.19 1wk0 n GLU 80 Ca 0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.73 1wk0 n GLU 80 Cb 0.00 -1.10 -0.01 0.00 -1.01 0.00 0.00 31.44 29.32 1wk0 n GLU 80 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1wk0 s GLU 81 N -2.11 4.18 0.04 3.49 8.01 -1.26 -4.64 118.70 126.41 1wk0 s GLU 81 Ca -0.02 2.47 -0.31 0.00 0.01 0.00 0.00 54.97 57.12 1wk0 s GLU 81 Cb 0.01 -3.02 -0.18 0.00 -4.31 0.00 0.00 34.13 26.64 1wk0 s GLU 81 CO 0.15 -0.47 1.42 1.79 0.01 0.00 0.00 175.26 178.16 1wk0 h THR 82 N 3.14 0.26 -3.36 3.63 1.35 -1.95 -3.42 112.91 112.56 1wk0 h THR 82 Ca -0.49 -0.17 -0.57 0.00 -0.55 0.00 0.00 66.41 64.62 1wk0 h THR 82 Cb 1.23 0.31 -0.07 0.00 -1.73 0.00 0.00 68.15 67.89 1wk0 h THR 82 CO 0.69 0.02 0.17 0.21 -0.25 0.00 0.00 175.52 176.36 1wk0 s ASN 83 N -4.46 6.90 0.17 5.36 3.84 -1.26 -4.13 114.94 121.35 1wk0 s ASN 83 Ca -0.17 1.09 -0.08 0.00 0.21 0.00 0.00 52.86 53.92 1wk0 s ASN 83 Cb 0.02 -2.40 -0.01 0.00 -0.55 0.00 0.00 41.25 38.31 1wk0 s ASN 83 CO 0.55 -0.22 0.26 0.27 -2.79 0.00 0.00 177.10 175.17 1wk0 s ILE 84 N 1.41 0.06 -0.22 -5.21 -5.25 -1.01 -5.04 121.20 105.95 1wk0 s ILE 84 Ca 0.35 -1.49 -0.05 0.00 -0.99 0.00 0.00 60.65 58.48 1wk0 s ILE 84 Cb -0.17 -1.92 -0.02 0.00 2.95 0.00 0.00 42.46 43.30 1wk0 s ILE 84 CO 0.15 -0.29 -0.00 -0.89 -1.79 0.00 0.00 174.94 172.11 1wk0 s THR 85 N -3.99 3.77 0.68 8.37 2.01 -1.26 -1.72 115.64 123.50 1wk0 s THR 85 Ca 0.19 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.71 1wk0 s THR 85 Cb 0.04 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1wk0 s THR 85 CO 0.01 0.41 1.06 -0.76 -0.69 0.00 0.00 174.62 174.65 1wk0 s LEU 86 N 1.34 3.19 0.24 4.42 1.02 -0.58 -4.87 118.68 123.44 1wk0 s LEU 86 Ca 0.04 1.67 -0.12 0.00 0.02 0.00 0.00 54.13 55.74 1wk0 s LEU 86 Cb -0.15 -4.50 -0.01 0.00 0.02 0.00 0.00 46.19 41.55 1wk0 s LEU 86 CO 0.00 -1.45 0.46 0.20 0.02 0.00 0.00 176.35 175.59 1wk0 s ASN 87 N -3.57 -0.08 -1.32 2.29 0.01 -1.26 -3.38 114.94 107.62 1wk0 s ASN 87 Ca 0.59 -0.94 -0.09 0.00 -0.71 0.00 0.00 52.86 51.71 1wk0 s ASN 87 Cb -0.15 0.58 0.01 0.00 0.41 0.00 0.00 41.25 42.10 1wk0 s ASN 87 CO 0.52 -1.13 1.14 0.47 -1.51 0.00 0.00 177.10 176.59 1wk0 n ASP 88 N -0.38 -6.27 -5.01 -1.22 9.92 -1.26 -4.88 116.55 107.45 1wk0 n ASP 88 Ca -0.01 -0.52 -0.21 0.00 -0.53 0.00 0.00 54.79 53.52 1wk0 n ASP 88 Cb 0.62 -4.90 0.05 0.00 -0.64 0.00 0.00 41.12 36.25 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wk0 s LEU 89 N -7.11 2.99 -0.30 0.64 1.43 -1.25 -5.07 118.68 110.01 1wk0 s LEU 89 Ca 0.56 -0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1wk0 s LEU 89 Cb -0.25 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1wk0 s LEU 89 CO 0.70 -1.33 0.06 -0.54 0.23 0.00 0.00 176.35 175.47 1wk0 s LYS 90 N -4.61 2.84 0.93 1.70 3.01 -1.26 -4.82 119.74 117.53 1wk0 s LYS 90 Ca 0.57 -1.02 -0.12 0.00 -1.01 0.00 0.00 55.97 54.39 1wk0 s LYS 90 Cb -0.05 -3.33 0.15 0.00 -1.01 0.00 0.00 37.83 33.60 1wk0 s LYS 90 CO 0.36 -0.53 1.09 -1.25 0.51 0.00 0.00 175.35 175.54 1wk0 s PRO 91 N 1.42 0.94 -1.56 -1.68 0.04 -1.24 -3.86 135.00 129.06 1wk0 s PRO 91 Ca 0.00 0.71 -0.13 0.00 0.04 0.00 0.00 61.00 61.62 1wk0 s PRO 91 Cb -0.18 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.67 1wk0 s PRO 91 CO 0.01 -2.43 0.83 0.00 0.04 0.00 0.00 177.00 175.46 1wk0 n ALA 92 N -4.00 -1.42 -2.68 8.56 0.00 -0.26 -4.90 120.51 115.81 1wk0 n ALA 92 Ca 0.06 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1wk0 n ALA 92 Cb 0.56 -3.60 -0.07 0.00 0.00 0.00 0.00 19.45 16.34 1wk0 n ALA 92 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wk0 s MET 93 N -6.66 1.56 -0.14 0.00 -1.94 -1.24 -4.98 119.30 105.90 1wk0 s MET 93 Ca 0.56 -1.60 -0.03 0.00 -1.71 0.00 0.00 55.69 52.91 1wk0 s MET 93 Cb -0.29 0.38 0.05 0.00 2.01 0.00 0.00 34.83 36.98 1wk0 s MET 93 CO 0.87 -0.60 0.05 0.34 -0.01 0.00 0.00 175.02 175.67 1wk0 s ASP 94 N -3.16 2.16 0.19 3.03 2.15 -1.26 -2.18 116.67 117.59 1wk0 s ASP 94 Ca 0.32 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.85 1wk0 s ASP 94 Cb 0.02 -0.37 -0.04 0.00 -0.30 0.00 0.00 42.92 42.23 1wk0 s ASP 94 CO 0.15 -0.29 0.08 -0.72 -0.17 0.00 0.00 175.17 174.22 1wk0 s TYR 95 N 2.03 1.18 0.30 -5.34 1.13 -1.26 -4.99 117.35 110.40 1wk0 s TYR 95 Ca 0.02 -1.22 -0.02 0.00 -1.41 0.00 0.00 57.07 54.43 1wk0 s TYR 95 Cb -0.15 -0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 40.02 1wk0 s TYR 95 CO -0.07 -0.45 0.53 -1.01 -2.51 0.00 0.00 175.55 172.04 1wk0 s HIS 96 N -3.94 3.49 -0.04 -3.49 3.76 -1.26 -2.26 115.29 111.56 1wk0 s HIS 96 Ca 0.32 0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 55.69 1wk0 s HIS 96 Cb 0.07 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.78 1wk0 s HIS 96 CO 0.08 0.18 0.10 0.00 -0.85 0.00 0.00 174.74 174.26 1wk0 s ALA 97 N -2.13 -0.25 0.33 -1.40 0.00 0.26 -3.33 121.76 115.24 1wk0 s ALA 97 Ca 0.42 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1wk0 s ALA 97 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1wk0 s ALA 97 CO 0.32 -0.06 0.13 0.15 0.00 0.00 0.00 175.76 176.30 1wk0 s LYS 98 N -0.05 1.69 -0.08 0.00 1.02 -0.51 0.19 119.74 121.98 1wk0 s LYS 98 Ca -0.01 -1.98 -0.03 0.00 0.02 0.00 0.00 55.97 53.98 1wk0 s LYS 98 Cb -0.01 -0.36 0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1wk0 s LYS 98 CO 0.00 -0.41 0.06 0.54 -0.92 0.00 0.00 175.35 174.62 1wk0 s VAL 99 N -3.46 -0.01 -0.14 3.17 0.11 -1.26 -2.03 120.40 116.79 1wk0 s VAL 99 Ca 0.33 0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 59.53 1wk0 s VAL 99 Cb 0.05 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1wk0 s VAL 99 CO 0.16 0.06 0.03 -1.58 -3.33 0.00 0.00 175.10 170.44 1wk0 s GLN 100 N 2.12 3.50 0.01 1.54 0.74 -0.57 -3.34 119.66 123.67 1wk0 s GLN 100 Ca 0.04 -0.38 -0.07 0.00 0.05 0.00 0.00 55.36 55.00 1wk0 s GLN 100 Cb -0.13 -3.00 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 1wk0 s GLN 100 CO -0.05 0.47 0.28 0.00 -0.55 0.00 0.00 175.29 175.45 1wk0 s ALA 101 N -0.22 3.83 -0.02 1.58 0.00 -1.25 0.03 121.76 125.70 1wk0 s ALA 101 Ca 0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 1wk0 s ALA 101 Cb -0.12 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1wk0 s ALA 101 CO 0.02 0.63 0.05 -2.00 0.00 0.00 0.00 175.76 174.46 1wk0 s GLU 102 N -1.73 0.03 -0.14 0.00 2.12 0.51 -3.68 118.70 115.80 1wk0 s GLU 102 Ca 0.28 0.14 -0.09 0.00 0.36 0.00 0.00 54.97 55.66 1wk0 s GLU 102 Cb -0.13 -0.08 0.05 0.00 0.26 0.00 0.00 34.13 34.23 1wk0 s GLU 102 CO 0.16 -0.07 0.35 -0.47 -0.54 0.00 0.00 175.26 174.69 1wk0 s TYR 103 N 0.46 -0.48 -1.45 5.30 6.14 -1.09 -0.30 117.35 125.94 1wk0 s TYR 103 Ca -0.04 1.08 -0.09 0.00 0.64 0.00 0.00 57.07 58.67 1wk0 s TYR 103 Cb -0.05 0.18 0.02 0.00 0.42 0.00 0.00 41.96 42.53 1wk0 s TYR 103 CO -0.02 -0.28 0.94 -1.71 0.64 0.00 0.00 175.55 175.13 1wk0 n ASN 104 N 3.95 -5.93 -2.37 4.32 5.15 -1.26 -1.37 115.26 117.75 1wk0 n ASN 104 Ca -0.22 -0.49 -0.18 0.00 -0.60 0.00 0.00 54.58 53.09 1wk0 n ASN 104 Cb 0.55 -4.72 0.02 0.00 -0.53 0.00 0.00 39.78 35.10 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wk0 n SER 105 N -2.80 -5.21 -4.11 1.20 7.64 -1.26 -4.99 113.62 104.09 1wk0 n SER 105 Ca -0.02 -0.19 -0.33 0.00 1.01 0.00 0.00 58.87 59.34 1wk0 n SER 105 Cb 0.57 -4.11 -0.15 0.00 -1.01 0.00 0.00 64.21 59.52 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wk0 s ILE 106 N -3.02 2.41 -0.22 0.44 1.01 -0.47 -5.10 121.20 116.25 1wk0 s ILE 106 Ca 0.20 -1.48 -0.12 0.00 0.00 0.00 0.00 60.65 59.25 1wk0 s ILE 106 Cb -0.09 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1wk0 s ILE 106 CO 0.24 0.02 0.22 -0.54 0.00 0.00 0.00 174.94 174.88 1wk0 s LYS 107 N 1.17 4.12 0.00 2.79 1.02 -1.26 -2.65 119.74 124.92 1wk0 s LYS 107 Ca -0.06 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1wk0 s LYS 107 Cb -0.19 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1wk0 s LYS 107 CO -0.05 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1wk0 n GLY 108 N 4.07 1.18 3.28 -3.33 0.00 -1.24 -4.99 105.19 104.16 1wk0 n GLY 108 Ca -0.13 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1wk0 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wk0 s THR 109 N 4.39 2.26 0.22 2.61 2.01 -1.26 -4.99 115.64 120.87 1wk0 s THR 109 Ca 0.00 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 1wk0 s THR 109 Cb 0.00 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.56 1wk0 s THR 109 CO 0.00 0.56 1.29 -2.16 -0.69 0.00 0.00 174.62 173.62 1wk0 s PRO 110 N 0.06 4.41 0.88 4.92 0.04 -1.26 -4.56 135.00 139.48 1wk0 s PRO 110 Ca -0.09 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 1wk0 s PRO 110 Cb -0.15 -3.18 0.21 0.00 0.04 0.00 0.00 34.50 31.42 1wk0 s PRO 110 CO 0.06 -0.20 0.48 -1.13 0.04 0.00 0.00 177.00 176.24 1wk0 n SER 111 N 2.29 -3.09 -3.68 6.66 3.41 -1.21 -4.95 113.62 113.06 1wk0 n SER 111 Ca 0.05 -0.48 -0.28 0.00 -0.26 0.00 0.00 58.87 57.90 1wk0 n SER 111 Cb 0.43 -0.61 0.25 0.00 -0.26 0.00 0.00 64.21 64.01 1wk0 n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wk0 n GLU 112 N -3.30 -3.57 -3.60 4.33 -0.58 -1.26 -4.72 120.64 107.94 1wk0 n GLU 112 Ca 0.08 -1.05 -0.37 0.00 -0.42 0.00 0.00 57.16 55.40 1wk0 n GLU 112 Cb 0.33 -1.86 -0.06 0.00 -0.57 0.00 0.00 31.44 29.29 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wk0 s ALA 113 N -2.17 3.75 -0.24 0.62 0.00 -1.26 -4.55 121.76 117.90 1wk0 s ALA 113 Ca 0.60 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1wk0 s ALA 113 Cb -0.14 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.76 1wk0 s ALA 113 CO 0.55 0.53 -0.12 -2.00 0.00 0.00 0.00 175.76 174.72 1wk0 s GLU 114 N -1.25 2.25 -0.18 0.00 2.12 0.13 -4.83 118.70 116.94 1wk0 s GLU 114 Ca 0.24 -1.19 -0.20 0.00 0.36 0.00 0.00 54.97 54.18 1wk0 s GLU 114 Cb -0.15 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 1wk0 s GLU 114 CO 0.13 -0.51 0.57 -1.50 -0.54 0.00 0.00 175.26 173.41 1wk0 s ILE 115 N 1.19 5.08 -0.02 -3.70 2.07 -1.26 0.90 121.20 125.45 1wk0 s ILE 115 Ca -0.06 1.09 -0.00 0.00 -1.41 0.00 0.00 60.65 60.27 1wk0 s ILE 115 Cb -0.19 -3.90 0.03 0.00 0.13 0.00 0.00 42.46 38.54 1wk0 s ILE 115 CO -0.07 0.17 0.03 0.72 -1.91 0.00 0.00 174.94 173.89 1wk0 s PHE 116 N 1.56 0.05 0.25 3.50 -0.12 -0.96 -4.99 117.98 117.27 1wk0 s PHE 116 Ca 0.27 0.14 -0.22 0.00 -0.05 0.00 0.00 56.93 57.07 1wk0 s PHE 116 Cb -0.16 -0.28 -0.09 0.00 -0.63 0.00 0.00 43.02 41.87 1wk0 s PHE 116 CO 0.11 -0.10 0.80 0.99 -0.05 0.00 0.00 175.22 176.96 1wk0 s THR 117 N 1.20 4.43 0.06 -4.49 2.01 -1.26 -3.98 115.64 113.62 1wk0 s THR 117 Ca -0.07 1.50 0.06 0.00 0.31 0.00 0.00 61.69 63.48 1wk0 s THR 117 Cb -0.13 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1wk0 s THR 117 CO -0.03 0.21 -0.10 0.42 -0.69 0.00 0.00 174.62 174.43 1wk0 s THR 118 N -1.52 3.35 0.88 -0.82 -4.23 -0.93 -4.89 115.64 107.47 1wk0 s THR 118 Ca 0.45 -1.10 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 1wk0 s THR 118 Cb -0.18 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.28 1wk0 s THR 118 CO 0.22 0.24 1.15 -1.48 -0.54 0.00 0.00 174.62 174.22 1wk0 s LEU 119 N -1.82 2.19 -0.02 4.79 2.34 -1.23 -1.10 118.68 123.82 1wk0 s LEU 119 Ca 0.19 0.89 -0.06 0.00 0.06 0.00 0.00 54.13 55.21 1wk0 s LEU 119 Cb -0.11 -3.27 -0.05 0.00 -0.56 0.00 0.00 46.19 42.20 1wk0 s LEU 119 CO 0.10 -2.33 0.24 -0.94 -1.06 0.00 0.00 176.35 172.36 1wk0 s SER 120 N -4.23 6.47 0.59 1.48 1.04 -1.25 -2.19 113.70 115.61 1wk0 s SER 120 Ca 0.63 0.52 0.35 0.00 0.48 0.00 0.00 55.95 57.93 1wk0 s SER 120 Cb -0.13 -2.08 1.29 0.00 0.10 0.00 0.00 66.02 65.20 1wk0 s SER 120 CO 0.52 0.29 1.51 0.00 0.98 0.00 0.00 173.24 176.53 1wk0 s GLU 122 N -4.63 3.37 -1.19 0.00 0.41 -1.26 -4.94 118.70 110.46 1wk0 s GLU 122 Ca -0.04 0.52 -0.23 0.00 -0.41 0.00 0.00 54.97 54.82 1wk0 s GLU 122 Cb 0.19 -2.14 -0.09 0.00 -1.78 0.00 0.00 34.13 30.31 1wk0 s GLU 122 CO 0.63 -0.61 1.93 -1.25 -0.49 0.00 0.00 175.26 175.47 1wk0 s PRO 123 N -5.12 2.49 -0.13 0.39 0.04 -1.26 -4.80 135.00 126.61 1wk0 s PRO 123 Ca 0.54 -1.19 -0.34 0.00 0.04 0.00 0.00 61.00 60.06 1wk0 s PRO 123 Cb -0.11 -5.25 0.13 0.00 0.04 0.00 0.00 34.50 29.32 1wk0 s PRO 123 CO 0.51 -4.00 1.21 0.34 0.04 0.00 0.00 177.00 175.11 1wk0 s ASP 124 N 6.47 -0.13 -0.28 6.66 -1.08 -1.26 -5.13 116.67 121.91 1wk0 s ASP 124 Ca 0.68 -0.04 -0.21 0.00 -0.52 0.00 0.00 52.55 52.46 1wk0 s ASP 124 Cb -0.01 0.16 0.13 0.00 -1.46 0.00 0.00 42.92 41.75 1wk0 s ASP 124 CO 0.14 -0.28 1.00 -0.51 0.52 0.00 0.00 175.17 176.04 1wk0 s ILE 125 N -2.46 0.00 0.04 4.11 2.07 -1.26 -3.82 121.20 119.87 1wk0 s ILE 125 Ca 0.10 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.14 1wk0 s ILE 125 Cb 0.00 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.45 1wk0 s ILE 125 CO -0.04 0.00 1.35 1.55 -1.91 0.00 0.00 174.94 175.88 1wk0 h PRO 126 N 5.00 0.34 -3.61 3.50 0.13 -2.01 -3.41 132.00 131.94 1wk0 h PRO 126 Ca -0.28 -0.18 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 1wk0 h PRO 126 Cb 1.18 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 1wk0 h PRO 126 CO 0.14 0.72 -0.76 1.21 -0.23 0.00 0.00 178.00 179.09 1wk0 s ASN 127 N -6.10 3.99 -0.10 1.44 2.47 -1.26 -5.11 114.94 110.28 1wk0 s ASN 127 Ca -0.14 -1.60 -0.29 0.00 0.42 0.00 0.00 52.86 51.24 1wk0 s ASN 127 Cb 0.05 -0.88 -0.04 0.00 -1.45 0.00 0.00 41.25 38.93 1wk0 s ASN 127 CO 0.75 -0.40 1.53 -2.16 -3.72 0.00 0.00 177.10 173.09 1wk0 s PRO 128 N 1.60 4.17 -0.23 0.43 0.04 -1.26 -4.96 135.00 134.79 1wk0 s PRO 128 Ca 0.09 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1wk0 s PRO 128 Cb -0.17 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 1wk0 s PRO 128 CO -0.23 -0.84 1.62 -1.25 0.04 0.00 0.00 177.00 176.34 1wk0 s PRO 129 N 3.92 3.77 -0.30 0.56 0.04 -1.26 -4.96 135.00 136.77 1wk0 s PRO 129 Ca 0.67 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 63.22 1wk0 s PRO 129 Cb -0.29 -4.04 0.13 0.00 0.04 0.00 0.00 34.50 30.34 1wk0 s PRO 129 CO 0.25 -1.33 0.77 -0.98 0.04 0.00 0.00 177.00 175.75 1wk0 s ARG 130 N 4.73 0.51 -0.22 4.56 1.70 -1.26 -5.02 118.95 123.94 1wk0 s ARG 130 Ca 0.71 1.17 -0.11 0.00 -0.47 0.00 0.00 55.73 57.03 1wk0 s ARG 130 Cb -0.24 0.58 0.08 0.00 -0.57 0.00 0.00 34.95 34.80 1wk0 s ARG 130 CO 0.29 -0.16 0.53 -1.50 -1.08 0.00 0.00 175.30 173.38 1wk0 s ILE 131 N 2.45 -0.23 -0.02 4.99 2.07 -1.26 -5.17 121.20 124.04 1wk0 s ILE 131 Ca -0.06 0.07 -0.25 0.00 -1.41 0.00 0.00 60.65 59.00 1wk0 s ILE 131 Cb -0.09 -0.79 0.05 0.00 0.13 0.00 0.00 42.46 41.77 1wk0 s ILE 131 CO -0.18 0.03 0.55 -0.55 -1.91 0.00 0.00 174.94 172.87 1wk0 s SER 132 N 1.84 -0.49 0.00 4.50 0.15 -1.26 -5.02 113.70 113.43 1wk0 s SER 132 Ca -0.08 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1wk0 s SER 132 Cb -0.08 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1wk0 s SER 132 CO -0.16 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.31 1wk0 n GLY 133 N 0.91 -1.13 0.19 9.45 0.00 -1.26 -4.98 105.19 108.36 1wk0 n GLY 133 Ca -0.20 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.53 1wk0 n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk0 h PRO 134 N 0.00 0.00 -7.50 1.61 0.13 -2.07 -3.45 132.00 120.73 1wk0 h PRO 134 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1wk0 h PRO 134 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 1wk0 h PRO 134 CO 0.00 0.38 0.33 0.45 -0.23 0.00 0.00 178.00 178.93 1wk0 s SER 135 N -6.62 4.50 -0.12 1.44 0.15 -1.26 -5.03 113.70 106.76 1wk0 s SER 135 Ca -0.01 0.58 -0.25 0.00 0.70 0.00 0.00 55.95 56.97 1wk0 s SER 135 Cb 0.13 -1.09 -0.27 0.00 -1.71 0.00 0.00 66.02 63.08 1wk0 s SER 135 CO 0.70 -1.86 0.71 0.28 1.20 0.00 0.00 173.24 174.27 1wk0 h SER 136 N -0.92 0.15 0.00 5.45 0.02 -2.01 -3.50 113.55 112.75 1wk0 h SER 136 Ca -0.45 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.59 1wk0 h SER 136 Cb 1.31 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1wk0 h SER 136 CO 0.61 1.22 0.00 0.61 -1.14 0.00 0.00 176.83 178.13