#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 s SER 2 N 0.00 2.61 -0.08 1.61 1.04 -1.26 -5.05 113.70 112.57 1wk0 s SER 2 Ca 0.00 2.12 -0.06 0.00 0.48 0.00 0.00 55.95 58.49 1wk0 s SER 2 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1wk0 s SER 2 CO 0.00 -3.29 0.20 -0.55 0.98 0.00 0.00 173.24 170.58 1wk0 s SER 3 N -2.62 -0.21 0.52 7.02 0.15 -1.26 -5.14 113.70 112.16 1wk0 s SER 3 Ca 0.67 0.41 -0.22 0.00 0.70 0.00 0.00 55.95 57.51 1wk0 s SER 3 Cb -0.23 0.39 -0.06 0.00 -1.71 0.00 0.00 66.02 64.41 1wk0 s SER 3 CO 0.59 -0.09 1.25 0.61 1.20 0.00 0.00 173.24 176.80 1wk0 n GLY 4 N 3.21 0.48 0.08 9.45 0.00 -1.26 -4.96 105.19 112.20 1wk0 n GLY 4 Ca -0.15 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1wk0 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wk0 h SER 5 N 1.43 0.00 -4.44 1.61 0.02 -2.06 -3.49 113.55 106.62 1wk0 h SER 5 Ca -0.49 -0.49 -0.10 0.00 -0.84 0.00 0.00 61.79 59.87 1wk0 h SER 5 Cb 1.31 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.64 1wk0 h SER 5 CO 0.57 1.14 -0.11 -0.94 -1.14 0.00 0.00 176.83 176.34 1wk0 s SER 6 N -6.37 -0.45 0.00 3.07 1.04 -1.26 -5.16 113.70 104.58 1wk0 s SER 6 Ca -0.21 0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1wk0 s SER 6 Cb 0.02 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1wk0 s SER 6 CO 0.49 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1wk0 n GLY 7 N 1.99 1.77 0.23 7.32 0.00 -1.26 -5.07 105.19 110.18 1wk0 n GLY 7 Ca -0.17 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wk0 n ASP 8 N 0.00 2.46 -0.33 1.61 9.92 -1.26 -4.52 116.55 124.43 1wk0 n ASP 8 Ca 0.00 0.00 0.27 0.00 -0.53 0.00 0.00 54.79 54.54 1wk0 n ASP 8 Cb 0.00 -0.22 0.52 0.00 -0.64 0.00 0.00 41.12 40.79 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wk0 h GLU 9 N -0.12 0.14 -0.33 -1.24 5.08 -2.01 0.67 114.58 116.78 1wk0 h GLU 9 Ca -0.25 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1wk0 h GLU 9 Cb 1.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1wk0 h GLU 9 CO -0.08 0.09 0.04 0.93 -1.00 0.00 0.00 179.01 179.00 1wk0 h GLU 10 N 0.15 0.55 -0.53 2.33 5.08 -2.00 -3.07 114.58 117.09 1wk0 h GLU 10 Ca 0.78 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 59.07 1wk0 h GLU 10 Cb 1.93 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.06 1wk0 h GLU 10 CO -0.70 0.65 0.18 1.15 -1.00 0.00 0.00 179.01 179.28 1wk0 h THR 11 N 0.37 0.79 -0.06 1.13 2.02 0.10 -2.56 112.91 114.71 1wk0 h THR 11 Ca 0.10 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1wk0 h THR 11 Cb 0.37 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1wk0 h THR 11 CO 0.01 0.06 -0.40 0.11 0.37 0.00 0.00 175.52 175.67 1wk0 h LYS 12 N 0.35 -0.50 -1.01 6.66 1.57 -1.29 0.11 116.57 122.46 1wk0 h LYS 12 Ca 0.26 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.32 1wk0 h LYS 12 Cb 0.30 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 1wk0 h LYS 12 CO -0.28 -0.33 0.65 0.00 -0.57 0.00 0.00 179.45 178.92 1wk0 h ALA 13 N 0.10 2.24 -0.17 3.86 0.00 -1.40 0.14 119.26 124.03 1wk0 h ALA 13 Ca 0.06 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1wk0 h ALA 13 Cb 0.62 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wk0 h ALA 13 CO -0.34 -0.61 -0.75 0.74 0.00 0.00 0.00 179.25 178.30 1wk0 h PHE 14 N 0.40 1.06 0.00 0.00 0.04 -0.71 0.21 116.94 117.94 1wk0 h PHE 14 Ca 0.56 -0.46 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 1wk0 h PHE 14 Cb 1.42 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.40 1wk0 h PHE 14 CO -0.00 1.29 -0.00 0.93 -0.60 0.00 0.00 178.31 179.92 1wk0 h GLU 15 N 0.55 0.00 0.02 1.51 5.08 0.17 0.28 114.58 122.19 1wk0 h GLU 15 Ca -0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 1wk0 h GLU 15 Cb 1.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1wk0 h GLU 15 CO 0.15 0.00 -1.78 0.00 -1.00 0.00 0.00 179.01 176.39 1wk0 n ALA 16 N -2.52 0.95 0.20 3.43 0.00 -0.80 -3.83 120.51 117.94 1wk0 n ALA 16 Ca -0.03 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.56 1wk0 n ALA 16 Cb 0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.80 -0.39 -2.01 0.00 5.85 -0.48 -2.32 115.31 115.15 1wk0 h LEU 17 Ca -0.47 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.36 1wk0 h LEU 17 Cb 1.52 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1wk0 h LEU 17 CO -0.22 -0.23 0.36 -0.07 -0.34 0.00 0.00 178.44 177.94 1wk0 h LEU 18 N -0.52 0.00 -3.70 2.25 3.38 -0.64 0.26 115.31 116.34 1wk0 h LEU 18 Ca -0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 1wk0 h LEU 18 Cb 0.39 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.94 1wk0 h LEU 18 CO 0.08 0.00 0.44 -0.24 0.09 0.00 0.00 178.44 178.81 1wk0 n SER 19 N -4.29 4.12 -0.30 -0.43 2.88 -0.91 -4.16 113.62 110.53 1wk0 n SER 19 Ca 0.09 -3.31 0.08 0.00 -1.33 0.00 0.00 58.87 54.40 1wk0 n SER 19 Cb 0.57 -0.77 0.17 0.00 -0.75 0.00 0.00 64.21 63.42 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wk0 n ASN 20 N -0.59 2.05 -3.55 -3.46 5.15 0.90 -4.92 115.26 110.84 1wk0 n ASN 20 Ca 0.47 -3.40 -0.20 0.00 -0.60 0.00 0.00 54.58 50.85 1wk0 n ASN 20 Cb 1.46 -0.47 0.13 0.00 -0.53 0.00 0.00 39.78 40.37 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1wk0 n ILE 21 N -1.28 0.00 -5.20 -1.44 -0.00 -1.26 -2.75 119.36 107.44 1wk0 n ILE 21 Ca 0.17 -0.86 -0.31 0.00 -0.00 0.00 0.00 62.75 61.75 1wk0 n ILE 21 Cb 0.67 -1.43 -0.17 0.00 -0.00 0.00 0.00 39.64 38.71 1wk0 n ILE 21 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1wk0 s VAL 22 N -2.79 1.97 0.20 7.28 1.01 -1.26 -4.92 120.40 121.90 1wk0 s VAL 22 Ca 0.53 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1wk0 s VAL 22 Cb -0.02 -1.68 -0.16 0.00 0.00 0.00 0.00 36.38 34.52 1wk0 s VAL 22 CO 0.36 0.55 0.79 2.29 0.00 0.00 0.00 175.10 179.09 1wk0 n LYS 23 N 3.10 0.50 -2.23 2.72 2.85 -1.26 -4.41 118.16 119.44 1wk0 n LYS 23 Ca -0.18 0.18 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1wk0 n LYS 23 Cb 0.52 -1.39 -0.03 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 -0.95 4.39 -0.16 -1.58 0.04 -1.26 -4.82 135.00 130.65 1wk0 s PRO 24 Ca 0.67 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1wk0 s PRO 24 Cb -0.89 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 1wk0 s PRO 24 CO 0.57 -0.25 0.25 0.08 0.04 0.00 0.00 177.00 177.69 1wk0 s VAL 25 N 0.12 5.33 -0.07 -0.36 1.01 -0.76 -4.71 120.40 120.97 1wk0 s VAL 25 Ca 0.57 0.46 -0.20 0.00 0.00 0.00 0.00 61.98 62.81 1wk0 s VAL 25 Cb -0.36 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1wk0 s VAL 25 CO 0.38 0.43 0.55 0.00 0.00 0.00 0.00 175.10 176.46 1wk0 s ALA 26 N 0.26 3.46 0.31 5.51 0.00 -1.26 -1.38 121.76 128.66 1wk0 s ALA 26 Ca 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1wk0 s ALA 26 Cb -0.13 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1wk0 s ALA 26 CO 0.03 0.06 0.32 -1.54 0.00 0.00 0.00 175.76 174.62 1wk0 s SER 27 N 0.32 1.10 -0.36 0.00 1.04 0.14 -4.86 113.70 111.08 1wk0 s SER 27 Ca 0.30 -1.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.10 1wk0 s SER 27 Cb -0.17 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1wk0 s SER 27 CO 0.14 -1.09 0.11 0.47 0.98 0.00 0.00 173.24 173.85 1wk0 n ASP 28 N -1.22 -0.90 -4.64 7.02 8.00 -1.26 -1.16 116.55 122.39 1wk0 n ASP 28 Ca 0.04 0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.16 1wk0 n ASP 28 Cb 0.63 -0.85 0.01 0.00 -0.02 0.00 0.00 41.12 40.88 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1wk0 n ILE 29 N -2.18 2.46 -4.25 0.53 5.41 -1.26 -4.24 119.36 115.84 1wk0 n ILE 29 Ca 0.02 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.14 1wk0 n ILE 29 Cb 0.36 -1.28 -0.04 0.00 -0.71 0.00 0.00 39.64 37.98 1wk0 n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wk0 n GLN 30 N 0.14 0.75 0.00 0.38 6.02 0.31 -4.85 117.38 120.13 1wk0 n GLN 30 Ca 0.09 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.32 1wk0 n GLN 30 Cb 0.39 0.95 0.00 0.00 1.02 0.00 0.00 30.24 32.60 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 -2.02 -0.02 -0.03 -1.58 0.00 -1.26 -3.39 120.51 112.22 1wk0 n ALA 31 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1wk0 n ALA 31 Cb 0.31 0.45 -0.06 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.66 2.02 -3.52 0.00 1.74 -1.26 -3.85 116.66 109.13 1wk0 n ARG 32 Ca 0.00 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1wk0 n ARG 32 Cb 0.00 -1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.31 5.07 0.26 0.55 -4.23 -1.26 -4.04 115.64 109.69 1wk0 s THR 33 Ca -0.04 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1wk0 s THR 33 Cb 0.03 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 1wk0 s THR 33 CO 0.34 -0.11 0.37 0.68 -0.54 0.00 0.00 174.62 175.36 1wk0 s VAL 34 N -1.83 0.00 -0.32 2.29 -7.23 -1.23 0.11 120.40 112.19 1wk0 s VAL 34 Ca 0.43 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1wk0 s VAL 34 Cb -0.11 -2.42 0.07 0.00 0.56 0.00 0.00 36.38 34.48 1wk0 s VAL 34 CO 0.25 0.00 0.02 -0.69 -0.31 0.00 0.00 175.10 174.38 1wk0 s VAL 35 N -3.77 2.76 -0.29 1.32 1.01 -0.31 -2.43 120.40 118.69 1wk0 s VAL 35 Ca 0.30 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.46 1wk0 s VAL 35 Cb 0.02 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1wk0 s VAL 35 CO 0.14 -0.27 0.19 -0.22 0.00 0.00 0.00 175.10 174.93 1wk0 s LEU 36 N 1.15 4.06 -0.16 3.92 2.96 -0.04 0.24 118.68 130.80 1wk0 s LEU 36 Ca -0.01 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1wk0 s LEU 36 Cb -0.20 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.42 1wk0 s LEU 36 CO -0.04 -0.09 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.90 1wk0 s THR 37 N 1.73 1.53 0.17 3.68 2.01 -0.48 -1.38 115.64 122.90 1wk0 s THR 37 Ca 0.07 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1wk0 s THR 37 Cb -0.16 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1wk0 s THR 37 CO 0.10 0.35 -0.15 -1.66 -0.69 0.00 0.00 174.62 172.57 1wk0 s TRP 38 N 1.48 1.63 0.20 4.92 -2.14 -1.09 -1.82 118.94 122.12 1wk0 s TRP 38 Ca 0.03 -0.56 0.04 0.00 2.66 0.00 0.00 56.10 58.27 1wk0 s TRP 38 Cb -0.14 -0.79 -0.03 0.00 -3.10 0.00 0.00 33.47 29.40 1wk0 s TRP 38 CO -0.10 0.28 0.29 -1.12 -2.66 0.00 0.00 176.95 173.64 1wk0 s SER 39 N -2.94 6.15 0.80 -2.66 0.01 -1.26 -4.68 113.70 109.12 1wk0 s SER 39 Ca 0.17 0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 1wk0 s SER 39 Cb -0.03 -1.78 0.07 0.00 0.21 0.00 0.00 66.02 64.50 1wk0 s SER 39 CO 0.05 -0.01 1.09 -2.16 0.41 0.00 0.00 173.24 172.62 1wk0 s PRO 40 N -3.62 2.00 0.48 12.44 0.04 -1.26 -4.04 135.00 141.05 1wk0 s PRO 40 Ca 0.34 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 1wk0 s PRO 40 Cb -0.10 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1wk0 s PRO 40 CO 0.28 -1.80 1.15 -1.25 0.04 0.00 0.00 177.00 175.42 1wk0 s PRO 41 N -4.91 3.64 -0.39 0.56 0.04 -1.26 -4.65 135.00 128.03 1wk0 s PRO 41 Ca 0.62 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.14 1wk0 s PRO 41 Cb -0.17 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.09 1wk0 s PRO 41 CO 0.56 -0.64 0.82 -1.12 0.04 0.00 0.00 177.00 176.67 1wk0 s SER 42 N -1.48 6.53 -0.45 6.66 0.01 -1.11 -4.94 113.70 118.93 1wk0 s SER 42 Ca 0.66 0.26 -0.28 0.00 1.31 0.00 0.00 55.95 57.91 1wk0 s SER 42 Cb -0.27 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1wk0 s SER 42 CO 0.32 -0.82 1.69 -0.44 0.41 0.00 0.00 173.24 174.40 1wk0 s SER 43 N 1.96 5.85 -0.07 2.44 0.01 -1.26 -4.84 113.70 117.79 1wk0 s SER 43 Ca 0.33 0.82 0.04 0.00 1.31 0.00 0.00 55.95 58.45 1wk0 s SER 43 Cb -0.12 -2.53 0.23 0.00 0.21 0.00 0.00 66.02 63.80 1wk0 s SER 43 CO 0.19 -1.83 0.85 0.18 0.41 0.00 0.00 173.24 173.05 1wk0 n LEU 44 N 10.54 2.33 0.12 2.44 4.77 -1.26 -4.26 117.00 131.69 1wk0 n LEU 44 Ca 0.20 -1.18 0.06 0.00 -0.03 0.00 0.00 56.01 55.06 1wk0 n LEU 44 Cb 0.49 -0.55 0.34 0.00 -2.33 0.00 0.00 43.42 41.37 1wk0 n LEU 44 CO 0.70 0.36 0.73 -0.38 -1.33 0.00 0.00 177.39 177.47 1wk0 n ILE 45 N 0.17 0.98 -1.86 -0.08 5.41 -1.26 -4.77 119.36 117.95 1wk0 n ILE 45 Ca 0.08 0.68 -0.14 0.00 1.00 0.00 0.00 62.75 64.37 1wk0 n ILE 45 Cb 0.52 -1.68 -0.03 0.00 -0.71 0.00 0.00 39.64 37.73 1wk0 n ILE 45 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1wk0 n ASN 46 N -1.95 -4.54 0.00 4.38 3.02 -1.26 -1.75 115.26 113.15 1wk0 n ASN 46 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1wk0 n ASN 46 Cb 0.18 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 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 -1.11 1.97 0.36 7.41 0.00 -1.26 -4.85 105.19 107.70 1wk0 n GLY 47 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 2.58 0.00 -6.18 1.61 4.81 -1.73 -3.39 114.58 112.27 1wk0 h GLU 48 Ca 0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 1wk0 h GLU 48 Cb 0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 1wk0 h GLU 48 CO 0.00 0.00 -0.69 -0.08 -0.73 0.00 0.00 179.01 177.51 1wk0 s THR 49 N -4.14 2.97 0.17 0.32 -1.32 -1.26 -5.10 115.64 107.28 1wk0 s THR 49 Ca -0.02 -2.11 -0.31 0.00 -1.21 0.00 0.00 61.69 58.04 1wk0 s THR 49 Cb 0.06 -2.63 -0.09 0.00 -1.51 0.00 0.00 72.50 68.34 1wk0 s THR 49 CO 0.21 -0.36 1.43 1.51 -2.21 0.00 0.00 174.62 175.21 1wk0 s ASP 50 N -3.62 6.74 0.46 8.08 -4.77 -1.26 -4.86 116.67 117.45 1wk0 s ASP 50 Ca 0.31 2.49 0.35 0.00 -3.30 0.00 0.00 52.55 52.40 1wk0 s ASP 50 Cb -0.05 -2.60 1.53 0.00 -1.09 0.00 0.00 42.92 40.71 1wk0 s ASP 50 CO 0.18 -0.69 1.59 1.05 0.70 0.00 0.00 175.17 178.00 1wk0 h GLU 51 N 6.20 0.02 -1.34 2.11 4.11 -1.99 1.25 114.58 124.93 1wk0 h GLU 51 Ca -0.43 -0.00 -0.43 0.00 0.07 0.00 0.00 59.36 58.56 1wk0 h GLU 51 Cb 1.21 -0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.27 1wk0 h GLU 51 CO 0.84 0.01 0.56 0.45 0.07 0.00 0.00 179.01 180.95 1wk0 n SER 52 N -4.58 6.74 0.00 3.06 2.88 -1.26 -4.28 113.62 116.18 1wk0 n SER 52 Ca 0.41 -3.29 -0.04 0.00 -1.33 0.00 0.00 58.87 54.62 1wk0 n SER 52 Cb 1.63 -1.02 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.08 1.28 -4.52 -3.46 2.88 0.43 -4.99 113.62 105.17 1wk0 n SER 53 Ca 0.40 0.19 -0.59 0.00 -1.33 0.00 0.00 58.87 57.55 1wk0 n SER 53 Cb 0.63 -0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wk0 n VAL 54 N -3.75 0.13 -1.30 2.46 0.24 -1.26 -4.90 118.33 109.95 1wk0 n VAL 54 Ca -0.06 -0.07 -0.31 0.00 -2.04 0.00 0.00 64.34 61.85 1wk0 n VAL 54 Cb 0.22 -0.96 0.09 0.00 -1.47 0.00 0.00 33.84 31.71 1wk0 n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wk0 s PRO 55 N 4.82 2.30 -0.22 7.34 0.04 -1.26 -4.99 135.00 143.03 1wk0 s PRO 55 Ca 1.09 1.19 0.12 0.00 0.04 0.00 0.00 61.00 63.44 1wk0 s PRO 55 Cb -1.24 -1.90 0.44 0.00 0.04 0.00 0.00 34.50 31.84 1wk0 s PRO 55 CO 0.65 -1.61 1.20 -0.85 0.04 0.00 0.00 177.00 176.43 1wk0 n GLU 56 N -3.42 2.11 -0.57 4.56 0.28 -1.26 -4.70 120.64 117.64 1wk0 n GLU 56 Ca 0.09 -3.48 0.03 0.00 -0.16 0.00 0.00 57.16 53.65 1wk0 n GLU 56 Cb 0.53 -1.68 0.22 0.00 1.43 0.00 0.00 31.44 31.94 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 -0.80 3.79 -4.63 -1.84 7.99 -1.26 -4.93 117.00 115.32 1wk0 n LEU 57 Ca 0.25 -3.39 -0.45 0.00 -0.01 0.00 0.00 56.01 52.41 1wk0 n LEU 57 Cb 0.83 -0.57 -0.04 0.00 -0.11 0.00 0.00 43.42 43.53 1wk0 n LEU 57 CO 0.11 0.96 1.67 -1.22 -1.51 0.00 0.00 177.39 177.39 1wk0 n TYR 58 N -0.91 2.21 -1.93 -1.77 4.01 -1.26 -4.82 117.16 112.68 1wk0 n TYR 58 Ca 0.26 -0.14 -0.41 0.00 -0.16 0.00 0.00 57.90 57.45 1wk0 n TYR 58 Cb 0.92 -2.72 -0.03 0.00 -0.31 0.00 0.00 39.34 37.21 1wk0 n TYR 58 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1wk0 s GLY 59 N 5.80 0.55 -0.46 2.72 0.00 0.39 -4.47 107.32 111.85 1wk0 s GLY 59 Ca 0.96 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 45.62 1wk0 s GLY 59 CO 0.44 3.42 0.46 -0.19 0.00 0.00 0.00 173.10 177.23 1wk0 s TYR 60 N 7.89 3.17 -0.20 1.90 2.02 0.13 -1.43 117.35 130.83 1wk0 s TYR 60 Ca 0.81 -0.61 -0.09 0.00 -0.37 0.00 0.00 57.07 56.81 1wk0 s TYR 60 Cb -0.21 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.18 1wk0 s TYR 60 CO 0.31 -0.81 0.09 -2.00 -1.57 0.00 0.00 175.55 171.57 1wk0 s GLU 61 N 2.08 4.02 0.04 -0.62 2.12 0.13 -2.42 118.70 124.04 1wk0 s GLU 61 Ca 0.10 -0.31 -0.21 0.00 0.36 0.00 0.00 54.97 54.90 1wk0 s GLU 61 Cb -0.20 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 1wk0 s GLU 61 CO 0.11 0.22 0.63 0.08 -0.54 0.00 0.00 175.26 175.75 1wk0 s VAL 62 N 0.56 4.78 -0.10 3.70 1.01 0.83 -0.82 120.40 130.36 1wk0 s VAL 62 Ca 0.05 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.38 1wk0 s VAL 62 Cb -0.12 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1wk0 s VAL 62 CO 0.01 0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 174.67 1wk0 s LEU 63 N -0.54 1.67 0.05 3.92 1.43 -0.09 -3.11 118.68 122.02 1wk0 s LEU 63 Ca 0.32 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1wk0 s LEU 63 Cb -0.19 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 1wk0 s LEU 63 CO 0.19 0.01 -0.15 0.27 0.23 0.00 0.00 176.35 176.91 1wk0 s ILE 64 N 0.95 1.20 -0.20 -0.59 -4.36 -1.20 -1.98 121.20 115.01 1wk0 s ILE 64 Ca -0.08 -1.10 -0.04 0.00 -0.26 0.00 0.00 60.65 59.17 1wk0 s ILE 64 Cb -0.15 -1.09 0.09 0.00 1.25 0.00 0.00 42.46 42.55 1wk0 s ILE 64 CO -0.00 -0.01 0.18 -0.94 0.24 0.00 0.00 174.94 174.41 1wk0 s SER 65 N -1.28 1.77 0.48 4.36 1.04 -1.25 -2.76 113.70 116.07 1wk0 s SER 65 Ca 0.02 -0.42 0.27 0.00 0.48 0.00 0.00 55.95 56.30 1wk0 s SER 65 Cb -0.08 0.18 0.85 0.00 0.10 0.00 0.00 66.02 67.07 1wk0 s SER 65 CO 0.02 -0.34 1.79 0.77 0.98 0.00 0.00 173.24 176.46 1wk0 h SER 66 N 8.34 0.00 -1.14 7.02 4.64 -1.91 -3.30 113.55 127.20 1wk0 h SER 66 Ca -0.16 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.56 1wk0 h SER 66 Cb 1.14 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 1wk0 h SER 66 CO 0.30 0.07 1.12 0.41 -0.87 0.00 0.00 176.83 177.85 1wk0 n THR 67 N -3.15 4.06 -0.28 2.95 -1.04 -1.26 -4.94 114.28 110.62 1wk0 n THR 67 Ca 0.02 -3.55 0.00 0.00 -2.04 0.00 0.00 64.05 58.48 1wk0 n THR 67 Cb 0.43 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.19 1wk0 n THR 67 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wk0 n GLY 68 N 1.12 -2.99 0.32 3.41 0.00 -1.24 -4.00 105.19 101.81 1wk0 n GLY 68 Ca 0.54 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 1wk0 n GLY 68 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wk0 h LYS 69 N 0.00 1.11 -1.74 1.61 2.10 -1.92 -2.58 116.57 115.14 1wk0 h LYS 69 Ca -0.00 -0.15 -0.19 0.00 -2.00 0.00 0.00 60.65 58.31 1wk0 h LYS 69 Cb 0.18 -0.21 -0.08 0.00 -0.90 0.00 0.00 32.23 31.23 1wk0 h LYS 69 CO 0.00 0.85 0.23 -0.25 -2.00 0.00 0.00 179.45 178.27 1wk0 n ASP 70 N -4.39 5.98 0.00 7.07 9.92 -1.26 -4.78 116.55 129.08 1wk0 n ASP 70 Ca 0.07 -2.78 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 1wk0 n ASP 70 Cb 0.12 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wk0 n GLY 71 N 0.89 3.95 3.58 0.44 0.00 -0.97 -5.11 105.19 107.96 1wk0 n GLY 71 Ca 0.18 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 4.72 3.89 0.25 1.61 2.47 -1.26 -5.09 119.74 126.33 1wk0 s LYS 72 Ca 0.00 -0.37 -0.01 0.00 -1.56 0.00 0.00 55.97 54.03 1wk0 s LYS 72 Cb 0.00 -3.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 1wk0 s LYS 72 CO 0.00 0.08 0.45 0.71 0.16 0.00 0.00 175.35 176.75 1wk0 s TYR 73 N 0.92 3.48 0.04 4.03 1.51 -1.26 -4.51 117.35 121.56 1wk0 s TYR 73 Ca 0.05 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.50 1wk0 s TYR 73 Cb -0.14 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1wk0 s TYR 73 CO 0.03 0.30 -0.08 0.21 -1.11 0.00 0.00 175.55 174.90 1wk0 s LYS 74 N -3.61 0.52 -0.37 -0.62 2.20 -1.11 -4.96 119.74 111.79 1wk0 s LYS 74 Ca 0.39 -0.70 -0.23 0.00 -0.36 0.00 0.00 55.97 55.08 1wk0 s LYS 74 Cb -0.11 -0.31 0.01 0.00 -1.51 0.00 0.00 37.83 35.91 1wk0 s LYS 74 CO 0.31 0.06 0.75 0.45 -0.36 0.00 0.00 175.35 176.56 1wk0 s SER 75 N -1.42 6.52 -0.24 1.43 0.15 -1.26 -3.25 113.70 115.63 1wk0 s SER 75 Ca -0.09 0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.86 1wk0 s SER 75 Cb -0.09 -2.38 -0.19 0.00 -1.71 0.00 0.00 66.02 61.65 1wk0 s SER 75 CO 0.00 -0.72 -0.13 1.33 1.20 0.00 0.00 173.24 174.92 1wk0 n VAL 76 N 5.78 1.52 -3.66 4.45 0.24 -1.18 -5.02 118.33 120.45 1wk0 n VAL 76 Ca 0.02 -0.60 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 1wk0 n VAL 76 Cb 0.48 -1.39 -0.08 0.00 -1.47 0.00 0.00 33.84 31.38 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 -2.52 -0.49 -0.28 6.34 6.14 -1.26 -5.03 117.35 120.24 1wk0 s TYR 77 Ca -0.32 1.03 0.01 0.00 0.64 0.00 0.00 57.07 58.43 1wk0 s TYR 77 Cb 0.09 0.23 0.17 0.00 0.42 0.00 0.00 41.96 42.86 1wk0 s TYR 77 CO 0.64 -0.40 0.47 0.54 0.64 0.00 0.00 175.55 177.44 1wk0 s VAL 78 N -0.55 -0.77 0.00 3.14 0.11 -1.26 -0.12 120.40 120.95 1wk0 s VAL 78 Ca -0.07 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1wk0 s VAL 78 Cb -0.03 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1wk0 s VAL 78 CO 0.04 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1wk0 n GLY 79 N 5.39 5.45 0.08 6.54 0.00 -1.02 -4.86 105.19 116.77 1wk0 n GLY 79 Ca -0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 0.81 -0.87 1.61 4.71 -1.26 0.20 120.64 125.84 1wk0 n GLU 80 Ca 0.00 0.07 -0.35 0.00 -0.01 0.00 0.00 57.16 56.87 1wk0 n GLU 80 Cb 0.00 -1.32 0.09 0.00 -1.01 0.00 0.00 31.44 29.20 1wk0 n GLU 80 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wk0 n GLU 81 N -2.83 -0.44 -0.09 3.49 -0.58 -1.26 -4.76 120.64 114.16 1wk0 n GLU 81 Ca -0.26 -0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.25 1wk0 n GLU 81 Cb 0.83 -1.37 -0.11 0.00 -0.57 0.00 0.00 31.44 30.22 1wk0 n GLU 81 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wk0 n THR 82 N -3.45 1.13 -4.14 2.62 -2.24 -1.26 -4.81 114.28 102.13 1wk0 n THR 82 Ca 0.01 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.91 1wk0 n THR 82 Cb 0.62 -0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 1wk0 n THR 82 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wk0 s ASN 83 N -5.57 4.62 0.14 3.42 3.84 -1.26 -2.66 114.94 117.46 1wk0 s ASN 83 Ca -0.20 -0.25 -0.05 0.00 0.21 0.00 0.00 52.86 52.57 1wk0 s ASN 83 Cb 0.06 -1.78 -0.02 0.00 -0.55 0.00 0.00 41.25 38.96 1wk0 s ASN 83 CO 0.54 0.07 0.16 0.27 -2.79 0.00 0.00 177.10 175.34 1wk0 s ILE 84 N 0.98 0.09 -0.15 -5.21 -5.25 -0.48 -5.01 121.20 106.17 1wk0 s ILE 84 Ca 0.01 -1.64 -0.01 0.00 -0.99 0.00 0.00 60.65 58.01 1wk0 s ILE 84 Cb -0.14 -1.90 -0.02 0.00 2.95 0.00 0.00 42.46 43.35 1wk0 s ILE 84 CO 0.01 -0.42 -0.10 -0.89 -1.79 0.00 0.00 174.94 171.75 1wk0 s THR 85 N -4.00 3.24 0.58 8.37 2.01 -1.26 -0.86 115.64 123.72 1wk0 s THR 85 Ca 0.19 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 1wk0 s THR 85 Cb 0.06 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1wk0 s THR 85 CO -0.00 0.50 1.04 -0.76 -0.69 0.00 0.00 174.62 174.72 1wk0 s LEU 86 N 0.53 3.50 0.07 4.42 1.43 -1.02 -4.88 118.68 122.73 1wk0 s LEU 86 Ca -0.07 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 1wk0 s LEU 86 Cb -0.15 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.56 1wk0 s LEU 86 CO 0.04 -1.06 0.27 0.20 0.23 0.00 0.00 176.35 176.03 1wk0 s ASN 87 N -2.91 -0.05 -0.75 2.29 0.01 -1.26 -3.54 114.94 108.73 1wk0 s ASN 87 Ca 0.62 -0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 52.39 1wk0 s ASN 87 Cb -0.15 0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.88 1wk0 s ASN 87 CO 0.37 -0.69 0.05 0.47 -1.51 0.00 0.00 177.10 175.79 1wk0 n ASP 88 N 0.24 -3.19 -4.88 -1.22 8.00 -1.26 -5.03 116.55 109.20 1wk0 n ASP 88 Ca -0.17 -0.03 -0.21 0.00 0.71 0.00 0.00 54.79 55.09 1wk0 n ASP 88 Cb 0.61 -2.41 0.07 0.00 -0.02 0.00 0.00 41.12 39.38 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wk0 s LEU 89 N -2.69 3.12 -0.27 0.64 1.43 -1.26 -5.09 118.68 114.56 1wk0 s LEU 89 Ca 0.02 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1wk0 s LEU 89 Cb -0.01 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1wk0 s LEU 89 CO 0.03 -1.49 0.09 -0.54 0.23 0.00 0.00 176.35 174.68 1wk0 s LYS 90 N -4.84 3.58 0.64 1.70 1.02 -1.26 -4.81 119.74 115.77 1wk0 s LYS 90 Ca 0.63 -0.54 -0.16 0.00 0.02 0.00 0.00 55.97 55.92 1wk0 s LYS 90 Cb -0.06 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1wk0 s LYS 90 CO 0.41 -0.25 1.11 -1.25 -0.92 0.00 0.00 175.35 174.45 1wk0 s PRO 91 N 1.62 2.88 -1.22 -1.68 0.04 -1.25 -3.85 135.00 131.54 1wk0 s PRO 91 Ca 0.06 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1wk0 s PRO 91 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1wk0 s PRO 91 CO 0.05 -1.19 1.03 0.00 0.04 0.00 0.00 177.00 176.92 1wk0 n ALA 92 N -2.26 -1.78 -2.35 8.56 0.00 -0.81 -4.83 120.51 117.03 1wk0 n ALA 92 Ca 0.11 0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1wk0 n ALA 92 Cb 0.52 -3.24 -0.09 0.00 0.00 0.00 0.00 19.45 16.63 1wk0 n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wk0 s MET 93 N -5.60 1.23 -0.10 0.00 0.00 -1.23 -4.98 119.30 108.62 1wk0 s MET 93 Ca 0.16 -1.56 -0.03 0.00 0.00 0.00 0.00 55.69 54.26 1wk0 s MET 93 Cb -0.07 0.30 0.05 0.00 0.00 0.00 0.00 34.83 35.10 1wk0 s MET 93 CO 0.71 -0.42 0.09 0.34 0.00 0.00 0.00 175.02 175.75 1wk0 s ASP 94 N -3.13 1.56 0.23 1.11 2.15 -1.26 -1.90 116.67 115.43 1wk0 s ASP 94 Ca 0.35 -0.17 -0.02 0.00 0.43 0.00 0.00 52.55 53.15 1wk0 s ASP 94 Cb 0.06 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.54 1wk0 s ASP 94 CO 0.11 -0.29 0.22 -0.72 -0.17 0.00 0.00 175.17 174.31 1wk0 s TYR 95 N 2.18 1.11 0.45 -5.34 1.13 -1.26 -4.99 117.35 110.64 1wk0 s TYR 95 Ca 0.04 -1.31 0.00 0.00 -1.41 0.00 0.00 57.07 54.39 1wk0 s TYR 95 Cb -0.14 -0.45 -0.00 0.00 -1.10 0.00 0.00 41.96 40.27 1wk0 s TYR 95 CO -0.06 -0.75 0.67 -1.01 -2.51 0.00 0.00 175.55 171.89 1wk0 s HIS 96 N -4.00 3.22 -0.20 -3.49 3.76 -1.26 -2.27 115.29 111.05 1wk0 s HIS 96 Ca 0.36 0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 55.39 1wk0 s HIS 96 Cb 0.05 -2.31 0.06 0.00 1.11 0.00 0.00 32.58 31.50 1wk0 s HIS 96 CO 0.14 -0.35 0.48 0.00 -0.85 0.00 0.00 174.74 174.16 1wk0 s ALA 97 N -2.55 -1.25 0.21 -1.40 0.00 0.17 -3.81 121.76 113.14 1wk0 s ALA 97 Ca 0.48 1.74 0.06 0.00 0.00 0.00 0.00 51.96 54.24 1wk0 s ALA 97 Cb -0.10 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1wk0 s ALA 97 CO 0.38 -0.29 -0.09 -1.59 0.00 0.00 0.00 175.76 174.17 1wk0 s LYS 98 N 1.42 1.31 -0.10 0.00 -2.85 -0.84 0.08 119.74 118.76 1wk0 s LYS 98 Ca -0.09 -1.61 0.02 0.00 -1.00 0.00 0.00 55.97 53.29 1wk0 s LYS 98 Cb -0.07 -0.91 0.01 0.00 -2.06 0.00 0.00 37.83 34.79 1wk0 s LYS 98 CO -0.14 0.08 -0.17 0.54 0.10 0.00 0.00 175.35 175.76 1wk0 s VAL 99 N -3.15 1.59 -0.16 1.79 0.11 -1.26 -0.91 120.40 118.41 1wk0 s VAL 99 Ca 0.24 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1wk0 s VAL 99 Cb 0.02 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 1wk0 s VAL 99 CO 0.07 0.46 0.05 -1.58 -3.33 0.00 0.00 175.10 170.77 1wk0 s GLN 100 N 0.81 3.77 -0.19 1.54 0.74 -0.00 -2.62 119.66 123.71 1wk0 s GLN 100 Ca -0.10 -0.34 -0.07 0.00 0.05 0.00 0.00 55.36 54.90 1wk0 s GLN 100 Cb -0.16 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.78 1wk0 s GLN 100 CO 0.01 0.38 0.04 0.00 -0.55 0.00 0.00 175.29 175.17 1wk0 s ALA 101 N 0.05 3.25 0.02 1.58 0.00 -1.25 -0.70 121.76 124.72 1wk0 s ALA 101 Ca 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1wk0 s ALA 101 Cb -0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 1wk0 s ALA 101 CO 0.01 0.03 -0.07 -1.83 0.00 0.00 0.00 175.76 173.90 1wk0 s GLU 102 N 0.66 0.49 -0.02 0.00 1.03 -0.52 -3.23 118.70 117.12 1wk0 s GLU 102 Ca 0.02 -0.49 -0.06 0.00 0.03 0.00 0.00 54.97 54.47 1wk0 s GLU 102 Cb -0.13 -0.37 0.01 0.00 -0.80 0.00 0.00 34.13 32.83 1wk0 s GLU 102 CO 0.02 0.09 0.14 -0.47 -1.33 0.00 0.00 175.26 173.70 1wk0 s TYR 103 N -0.76 -0.03 -1.63 4.83 6.14 -0.91 -0.46 117.35 124.52 1wk0 s TYR 103 Ca -0.04 0.05 -0.16 0.00 0.64 0.00 0.00 57.07 57.57 1wk0 s TYR 103 Cb -0.06 -0.01 0.13 0.00 0.42 0.00 0.00 41.96 42.43 1wk0 s TYR 103 CO 0.00 -0.21 0.83 -1.71 0.64 0.00 0.00 175.55 175.10 1wk0 n ASN 104 N 2.01 -3.58 -2.10 4.32 5.15 -1.26 0.47 115.26 120.27 1wk0 n ASN 104 Ca -0.19 -0.94 -0.17 0.00 -0.60 0.00 0.00 54.58 52.69 1wk0 n ASN 104 Cb 0.57 -3.14 0.01 0.00 -0.53 0.00 0.00 39.78 36.68 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 -2.74 -4.93 -4.06 1.20 7.64 -1.26 -4.98 113.62 104.48 1wk0 n SER 105 Ca 0.04 -0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.47 1wk0 n SER 105 Cb 0.52 -3.92 -0.14 0.00 -1.01 0.00 0.00 64.21 59.66 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 -2.92 2.58 -0.39 0.44 1.01 0.18 -5.08 121.20 117.03 1wk0 s ILE 106 Ca 0.12 -2.12 -0.25 0.00 0.00 0.00 0.00 60.65 58.40 1wk0 s ILE 106 Cb -0.05 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.64 1wk0 s ILE 106 CO 0.15 -0.52 0.87 -0.54 0.00 0.00 0.00 174.94 174.90 1wk0 s LYS 107 N 1.01 3.73 0.00 2.79 1.02 -1.26 -2.14 119.74 124.89 1wk0 s LYS 107 Ca 0.07 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1wk0 s LYS 107 Cb -0.20 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 1wk0 s LYS 107 CO -0.06 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 173.80 1wk0 n GLY 108 N 4.57 0.77 3.13 -3.33 0.00 -1.20 -5.04 105.19 104.09 1wk0 n GLY 108 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 1.00 1.28 0.09 2.61 2.01 -1.26 -5.00 115.64 116.37 1wk0 s THR 109 Ca 0.00 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.02 1wk0 s THR 109 Cb 0.00 -1.08 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 1wk0 s THR 109 CO 0.00 0.37 1.38 -2.16 -0.69 0.00 0.00 174.62 173.51 1wk0 s PRO 110 N -0.23 4.32 0.83 4.92 0.04 -1.26 -4.55 135.00 139.06 1wk0 s PRO 110 Ca 0.03 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 1wk0 s PRO 110 Cb -0.08 -3.31 0.21 0.00 0.04 0.00 0.00 34.50 31.36 1wk0 s PRO 110 CO 0.00 -0.45 0.47 -1.13 0.04 0.00 0.00 177.00 175.93 1wk0 n SER 111 N 4.20 -3.10 -4.58 6.66 3.41 -1.08 -4.93 113.62 114.20 1wk0 n SER 111 Ca 0.12 -0.47 -0.32 0.00 -0.26 0.00 0.00 58.87 57.94 1wk0 n SER 111 Cb 0.43 -0.57 0.15 0.00 -0.26 0.00 0.00 64.21 63.96 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 -3.63 -0.38 -3.30 4.33 4.71 -1.26 -4.66 120.64 116.45 1wk0 n GLU 112 Ca 0.07 -0.05 -0.39 0.00 -0.01 0.00 0.00 57.16 56.79 1wk0 n GLU 112 Cb 0.32 -2.20 -0.06 0.00 -1.01 0.00 0.00 31.44 28.50 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wk0 s ALA 113 N -2.53 3.59 -0.16 0.62 0.00 -1.26 -4.56 121.76 117.45 1wk0 s ALA 113 Ca 0.64 -0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1wk0 s ALA 113 Cb -0.23 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.30 1wk0 s ALA 113 CO 0.61 0.38 -0.20 -2.00 0.00 0.00 0.00 175.76 174.54 1wk0 s GLU 114 N -0.97 2.97 -0.04 0.00 2.56 0.11 -4.81 118.70 118.51 1wk0 s GLU 114 Ca 0.28 -0.83 -0.16 0.00 0.00 0.00 0.00 54.97 54.27 1wk0 s GLU 114 Cb -0.19 -2.49 -0.05 0.00 2.00 0.00 0.00 34.13 33.39 1wk0 s GLU 114 CO 0.18 -0.13 0.42 -1.50 -0.56 0.00 0.00 175.26 173.66 1wk0 s ILE 115 N 1.11 5.08 -0.09 -3.70 2.07 -1.26 0.44 121.20 124.85 1wk0 s ILE 115 Ca 0.00 0.86 -0.04 0.00 -1.41 0.00 0.00 60.65 60.06 1wk0 s ILE 115 Cb -0.14 -3.74 0.05 0.00 0.13 0.00 0.00 42.46 38.76 1wk0 s ILE 115 CO -0.09 0.50 0.20 0.72 -1.91 0.00 0.00 174.94 174.36 1wk0 s PHE 116 N -0.50 -0.26 0.04 3.50 -0.12 -0.96 -4.96 117.98 114.71 1wk0 s PHE 116 Ca 0.24 0.70 -0.23 0.00 -0.05 0.00 0.00 56.93 57.58 1wk0 s PHE 116 Cb -0.16 -0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.07 1wk0 s PHE 116 CO 0.12 -0.26 0.71 0.99 -0.05 0.00 0.00 175.22 176.73 1wk0 s THR 117 N 1.83 4.75 0.04 -4.49 2.01 -1.26 -4.05 115.64 114.48 1wk0 s THR 117 Ca -0.03 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.49 1wk0 s THR 117 Cb -0.12 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1wk0 s THR 117 CO -0.07 0.40 0.10 0.42 -0.69 0.00 0.00 174.62 174.78 1wk0 s THR 118 N -0.22 4.77 0.76 -0.82 -4.23 -0.80 -4.92 115.64 110.18 1wk0 s THR 118 Ca 0.36 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.20 1wk0 s THR 118 Cb -0.20 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.42 1wk0 s THR 118 CO 0.21 0.21 1.08 -1.48 -0.54 0.00 0.00 174.62 174.11 1wk0 s LEU 119 N -2.16 2.87 0.37 4.79 2.34 -1.22 -1.93 118.68 123.74 1wk0 s LEU 119 Ca 0.28 1.54 -0.04 0.00 0.06 0.00 0.00 54.13 55.97 1wk0 s LEU 119 Cb -0.12 -4.27 -0.04 0.00 -0.56 0.00 0.00 46.19 41.20 1wk0 s LEU 119 CO 0.20 -1.80 0.63 -0.55 -1.06 0.00 0.00 176.35 173.77 1wk0 s SER 120 N -3.74 6.36 0.47 1.48 0.15 -1.26 -1.98 113.70 115.17 1wk0 s SER 120 Ca 0.60 0.72 0.39 0.00 0.70 0.00 0.00 55.95 58.36 1wk0 s SER 120 Cb -0.15 -2.15 1.33 0.00 -1.71 0.00 0.00 66.02 63.34 1wk0 s SER 120 CO 0.55 -0.34 1.26 0.00 1.20 0.00 0.00 173.24 175.91 1wk0 s GLU 122 N -4.45 2.02 -0.91 0.00 0.41 -1.26 -5.05 118.70 109.45 1wk0 s GLU 122 Ca -0.04 -1.34 -0.24 0.00 -0.41 0.00 0.00 54.97 52.94 1wk0 s GLU 122 Cb 0.20 -2.11 -0.05 0.00 -1.78 0.00 0.00 34.13 30.40 1wk0 s GLU 122 CO 0.68 0.42 1.95 -1.25 -0.49 0.00 0.00 175.26 176.57 1wk0 s PRO 123 N -2.96 2.55 0.01 0.39 0.04 -1.26 -4.61 135.00 129.17 1wk0 s PRO 123 Ca 0.26 -0.33 -0.00 0.00 0.04 0.00 0.00 61.00 60.97 1wk0 s PRO 123 Cb -0.08 -5.07 -0.00 0.00 0.04 0.00 0.00 34.50 29.39 1wk0 s PRO 123 CO 0.15 -3.40 -0.00 -3.47 0.04 0.00 0.00 177.00 170.32 1wk0 n ASP 124 N 13.99 0.13 -2.95 6.66 2.03 -1.26 -5.07 116.55 130.07 1wk0 n ASP 124 Ca 0.40 0.02 -0.27 0.00 0.52 0.00 0.00 54.79 55.46 1wk0 n ASP 124 Cb 0.47 -0.04 0.01 0.00 -0.72 0.00 0.00 41.12 40.84 1wk0 n ASP 124 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1wk0 n ILE 125 N -2.61 0.00 0.98 5.18 -0.00 -1.26 -4.72 119.36 116.92 1wk0 n ILE 125 Ca -0.00 -0.35 0.06 0.00 -0.00 0.00 0.00 62.75 62.47 1wk0 n ILE 125 Cb 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 39.64 40.02 1wk0 n ILE 125 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1wk0 n PRO 126 N 1.09 0.49 -2.82 6.28 -0.04 -1.26 -4.76 135.00 133.98 1wk0 n PRO 126 Ca 0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1wk0 n PRO 126 Cb 0.33 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1wk0 n PRO 126 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1wk0 s ASN 127 N -1.91 7.57 -0.34 3.54 3.84 -1.26 -4.99 114.94 121.38 1wk0 s ASN 127 Ca 0.19 1.86 -0.29 0.00 0.21 0.00 0.00 52.86 54.83 1wk0 s ASN 127 Cb 0.09 -2.58 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 1wk0 s ASN 127 CO 0.15 0.17 1.69 -2.16 -2.79 0.00 0.00 177.10 174.16 1wk0 s PRO 128 N -1.19 3.43 0.00 0.43 0.04 -1.26 -4.95 135.00 131.50 1wk0 s PRO 128 Ca 0.40 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1wk0 s PRO 128 Cb -0.25 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1wk0 s PRO 128 CO 0.30 -1.74 0.00 -0.35 0.04 0.00 0.00 177.00 175.25 1wk0 n PRO 129 N 8.29 0.23 -4.21 0.56 -0.04 -1.26 -5.05 135.00 133.52 1wk0 n PRO 129 Ca 0.21 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 1wk0 n PRO 129 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.87 1wk0 n PRO 129 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wk0 s ARG 130 N -1.14 2.59 -0.22 0.54 3.52 -1.26 -5.11 118.95 117.86 1wk0 s ARG 130 Ca 0.00 -1.23 -0.10 0.00 -0.13 0.00 0.00 55.73 54.27 1wk0 s ARG 130 Cb 0.00 -2.36 -0.05 0.00 -1.56 0.00 0.00 34.95 30.98 1wk0 s ARG 130 CO 0.00 0.39 0.14 0.96 -0.81 0.00 0.00 175.30 175.98 1wk0 s ILE 131 N -2.18 5.32 0.06 4.11 -4.36 -1.26 -5.07 121.20 117.82 1wk0 s ILE 131 Ca 0.32 0.16 -0.26 0.00 -0.26 0.00 0.00 60.65 60.61 1wk0 s ILE 131 Cb -0.07 -3.46 0.09 0.00 1.25 0.00 0.00 42.46 40.26 1wk0 s ILE 131 CO 0.22 0.38 0.74 -0.44 0.24 0.00 0.00 174.94 176.08 1wk0 s SER 132 N 0.80 -0.49 0.23 4.36 0.01 -1.26 -5.15 113.70 112.20 1wk0 s SER 132 Ca 0.07 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1wk0 s SER 132 Cb -0.13 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1wk0 s SER 132 CO 0.02 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1wk0 n GLY 133 N -0.14 -1.12 0.00 3.44 0.00 -1.26 -3.68 105.19 102.44 1wk0 n GLY 133 Ca -0.14 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.26 1wk0 n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wk0 n PRO 134 N -2.71 0.07 -3.90 1.61 -0.04 -1.26 -4.87 135.00 123.89 1wk0 n PRO 134 Ca 0.01 0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 1wk0 n PRO 134 Cb 0.38 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1wk0 n PRO 134 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wk0 n SER 135 N -1.43 -3.75 -3.72 3.54 2.88 -1.24 -4.96 113.62 104.93 1wk0 n SER 135 Ca 0.05 -0.82 -0.10 0.00 -1.33 0.00 0.00 58.87 56.67 1wk0 n SER 135 Cb 0.15 -3.78 -0.05 0.00 -0.75 0.00 0.00 64.21 59.79 1wk0 n SER 135 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wk0 s SER 136 N -3.57 -0.18 0.00 -3.46 1.04 -1.26 -5.18 113.70 101.09 1wk0 s SER 136 Ca 0.51 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wk0 s SER 136 Cb -0.26 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1wk0 s SER 136 CO 0.84 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.76