#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 -0.69 -4.56 1.61 7.64 -1.26 -3.62 113.62 112.75 1wk0 n SER 2 Ca 0.00 1.63 -0.40 0.00 1.01 0.00 0.00 58.87 61.11 1wk0 n SER 2 Cb 0.00 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 1wk0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wk0 s SER 3 N -5.36 5.91 0.00 6.43 0.15 -1.26 -4.87 113.70 114.70 1wk0 s SER 3 Ca -0.12 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1wk0 s SER 3 Cb 0.17 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1wk0 s SER 3 CO 0.65 -1.95 0.00 0.61 1.20 0.00 0.00 173.24 173.75 1wk0 n GLY 4 N 5.43 2.65 4.10 9.45 0.00 -1.24 -4.92 105.19 120.67 1wk0 n GLY 4 Ca 0.10 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1wk0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wk0 n SER 5 N 0.00 -0.12 -4.05 1.61 7.64 -1.26 -4.88 113.62 112.56 1wk0 n SER 5 Ca 0.00 -1.10 -0.32 0.00 1.01 0.00 0.00 58.87 58.47 1wk0 n SER 5 Cb 0.00 -1.38 -0.15 0.00 -1.01 0.00 0.00 64.21 61.67 1wk0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wk0 s SER 6 N -3.71 4.59 0.00 6.43 1.04 -1.26 -5.06 113.70 115.74 1wk0 s SER 6 Ca 0.29 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1wk0 s SER 6 Cb -0.17 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.37 1wk0 s SER 6 CO 0.88 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1wk0 n GLY 7 N 4.35 3.44 0.12 7.32 0.00 -1.26 -5.02 105.19 114.14 1wk0 n GLY 7 Ca -0.06 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1wk0 n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wk0 h ASP 8 N 0.00 0.36 -0.90 1.61 3.58 -1.99 -3.36 116.42 115.72 1wk0 h ASP 8 Ca 0.00 -0.68 0.27 0.00 0.42 0.00 0.00 57.03 57.04 1wk0 h ASP 8 Cb 0.00 -0.12 -0.17 0.00 1.72 0.00 0.00 39.33 40.77 1wk0 h ASP 8 CO 0.00 1.59 0.10 -0.62 -2.88 0.00 0.00 179.24 177.44 1wk0 n GLU 9 N -3.41 -0.07 0.03 0.28 1.02 -1.26 0.23 120.64 117.47 1wk0 n GLU 9 Ca -0.25 1.33 -0.09 0.00 -0.02 0.00 0.00 57.16 58.13 1wk0 n GLU 9 Cb 1.05 -2.16 0.06 0.00 -0.02 0.00 0.00 31.44 30.37 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wk0 h GLU 10 N 0.00 0.45 -0.45 3.49 5.08 -1.98 -3.09 114.58 118.08 1wk0 h GLU 10 Ca 0.59 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1wk0 h GLU 10 Cb 1.29 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1wk0 h GLU 10 CO -0.82 0.93 0.02 1.15 -1.00 0.00 0.00 179.01 179.29 1wk0 h THR 11 N 0.33 1.26 0.26 1.13 2.02 0.27 -2.82 112.91 115.36 1wk0 h THR 11 Ca -0.01 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1wk0 h THR 11 Cb 1.16 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1wk0 h THR 11 CO 0.11 0.35 -0.26 0.11 0.37 0.00 0.00 175.52 176.20 1wk0 h LYS 12 N 0.64 -0.53 -0.87 6.66 1.57 -0.56 0.08 116.57 123.57 1wk0 h LYS 12 Ca 0.13 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.14 1wk0 h LYS 12 Cb 0.47 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1wk0 h LYS 12 CO 0.02 -0.36 0.58 0.00 -0.57 0.00 0.00 179.45 179.12 1wk0 h ALA 13 N 0.09 2.22 -0.06 3.86 0.00 -1.53 0.11 119.26 123.95 1wk0 h ALA 13 Ca -0.01 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1wk0 h ALA 13 Cb 0.51 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wk0 h ALA 13 CO -0.05 -0.48 -0.80 0.74 0.00 0.00 0.00 179.25 178.65 1wk0 h PHE 14 N 0.38 0.58 -0.03 0.00 0.04 -1.09 0.24 116.94 117.06 1wk0 h PHE 14 Ca 0.44 -0.28 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 1wk0 h PHE 14 Cb 1.12 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1wk0 h PHE 14 CO -0.00 1.06 -0.23 0.93 -0.60 0.00 0.00 178.31 179.46 1wk0 h GLU 15 N 0.27 0.05 0.03 1.51 5.08 0.12 -0.30 114.58 121.33 1wk0 h GLU 15 Ca -0.05 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 57.97 1wk0 h GLU 15 Cb 1.40 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 1wk0 h GLU 15 CO 0.14 0.28 -1.86 0.00 -1.00 0.00 0.00 179.01 176.57 1wk0 n ALA 16 N -2.49 0.97 0.27 3.43 0.00 -0.79 -3.80 120.51 118.10 1wk0 n ALA 16 Ca -0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 53.44 52.55 1wk0 n ALA 16 Cb 0.30 -0.40 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.59 -0.56 -2.21 0.00 5.85 -0.52 -1.95 115.31 115.32 1wk0 h LEU 17 Ca -0.47 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1wk0 h LEU 17 Cb 1.63 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1wk0 h LEU 17 CO -0.16 -0.39 0.20 -0.07 -0.34 0.00 0.00 178.44 177.68 1wk0 h LEU 18 N -0.64 0.00 -3.81 2.25 3.38 -1.24 0.15 115.31 115.39 1wk0 h LEU 18 Ca -0.06 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.56 1wk0 h LEU 18 Cb 0.50 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.04 1wk0 h LEU 18 CO 0.10 0.00 0.41 -1.20 0.09 0.00 0.00 178.44 177.84 1wk0 n SER 19 N -3.86 4.11 -0.46 -0.43 7.64 -0.79 -4.15 113.62 115.67 1wk0 n SER 19 Ca 0.02 -3.45 0.07 0.00 1.01 0.00 0.00 58.87 56.52 1wk0 n SER 19 Cb 0.33 -0.78 0.18 0.00 -1.01 0.00 0.00 64.21 62.93 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wk0 n ASN 20 N -0.71 2.32 -3.82 6.43 5.15 0.53 -4.88 115.26 120.28 1wk0 n ASN 20 Ca 0.49 -3.43 -0.18 0.00 -0.60 0.00 0.00 54.58 50.86 1wk0 n ASN 20 Cb 1.48 -0.50 0.10 0.00 -0.53 0.00 0.00 39.78 40.33 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 -1.20 0.00 -5.18 -1.44 -0.00 -1.26 -2.71 119.36 107.58 1wk0 n ILE 21 Ca 0.20 -1.10 -0.31 0.00 -0.00 0.00 0.00 62.75 61.53 1wk0 n ILE 21 Cb 0.73 -1.10 -0.15 0.00 -0.00 0.00 0.00 39.64 39.11 1wk0 n ILE 21 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1wk0 s VAL 22 N -2.35 2.18 0.38 7.28 0.11 -1.25 -4.87 120.40 121.86 1wk0 s VAL 22 Ca 0.50 -1.13 -0.25 0.00 -2.93 0.00 0.00 61.98 58.17 1wk0 s VAL 22 Cb -0.03 -1.78 -0.13 0.00 -1.53 0.00 0.00 36.38 32.92 1wk0 s VAL 22 CO 0.33 0.53 0.77 2.29 -3.33 0.00 0.00 175.10 175.70 1wk0 n LYS 23 N 2.27 0.90 -1.21 1.54 2.85 -1.26 -4.44 118.16 118.82 1wk0 n LYS 23 Ca -0.16 0.32 -0.30 0.00 -1.05 0.00 0.00 58.31 57.12 1wk0 n LYS 23 Cb 0.51 -1.68 0.13 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.65 1.32 0.01 -1.58 0.04 -1.26 -4.80 135.00 127.08 1wk0 s PRO 24 Ca 0.62 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1wk0 s PRO 24 Cb -0.64 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1wk0 s PRO 24 CO 0.58 -2.20 -0.10 0.08 0.04 0.00 0.00 177.00 175.39 1wk0 s VAL 25 N -2.93 0.79 -0.07 -0.36 1.01 -0.65 -4.56 120.40 113.62 1wk0 s VAL 25 Ca 0.63 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1wk0 s VAL 25 Cb -0.18 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1wk0 s VAL 25 CO 0.57 0.06 0.15 0.00 0.00 0.00 0.00 175.10 175.88 1wk0 s ALA 26 N -0.56 3.88 0.00 5.51 0.00 -1.26 -0.80 121.76 128.53 1wk0 s ALA 26 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1wk0 s ALA 26 Cb -0.06 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1wk0 s ALA 26 CO 0.00 0.67 0.00 0.43 0.00 0.00 0.00 175.76 176.86 1wk0 n SER 27 N 1.56 0.00 -2.88 0.00 7.64 -1.03 -4.90 113.62 114.00 1wk0 n SER 27 Ca -0.16 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.49 1wk0 n SER 27 Cb 0.54 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 1wk0 n SER 27 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wk0 n ASP 28 N -1.70 5.83 -4.63 6.43 -0.08 -1.26 -4.87 116.55 116.28 1wk0 n ASP 28 Ca 0.00 -2.37 -0.43 0.00 -1.51 0.00 0.00 54.79 50.48 1wk0 n ASP 28 Cb 0.00 -1.24 -0.02 0.00 2.34 0.00 0.00 41.12 42.20 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1wk0 s ILE 29 N 2.41 3.78 0.24 5.18 1.01 -1.26 -3.03 121.20 129.52 1wk0 s ILE 29 Ca 0.53 0.87 0.01 0.00 0.00 0.00 0.00 60.65 62.05 1wk0 s ILE 29 Cb 0.17 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1wk0 s ILE 29 CO -0.03 -0.37 0.07 0.00 0.00 0.00 0.00 174.94 174.61 1wk0 n GLN 30 N 7.68 1.32 0.00 2.79 6.02 0.22 -4.67 117.38 130.74 1wk0 n GLN 30 Ca 0.18 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.54 1wk0 n GLN 30 Cb 0.46 0.34 0.00 0.00 1.02 0.00 0.00 30.24 32.05 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 -2.36 0.00 0.00 -1.58 0.00 -1.26 -3.86 120.51 111.46 1wk0 n ALA 31 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1wk0 n ALA 31 Cb 0.29 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.41 1.81 -3.51 0.00 1.74 -1.26 -3.49 116.66 109.52 1wk0 n ARG 32 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1wk0 n ARG 32 Cb 0.00 -1.00 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.99 5.03 0.11 0.55 -4.23 -1.25 -3.91 115.64 109.94 1wk0 s THR 33 Ca 0.00 0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.96 1wk0 s THR 33 Cb 0.00 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1wk0 s THR 33 CO 0.00 0.28 0.26 0.68 -0.54 0.00 0.00 174.62 175.30 1wk0 s VAL 34 N -1.42 0.11 -0.47 2.29 -7.23 -1.19 0.71 120.40 113.21 1wk0 s VAL 34 Ca 0.34 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.39 1wk0 s VAL 34 Cb -0.14 -1.36 0.12 0.00 0.56 0.00 0.00 36.38 35.56 1wk0 s VAL 34 CO 0.18 -0.51 0.34 -0.69 -0.31 0.00 0.00 175.10 174.11 1wk0 s VAL 35 N -3.86 4.17 -0.18 1.32 1.01 -1.17 -1.34 120.40 120.35 1wk0 s VAL 35 Ca 0.06 -1.78 -0.18 0.00 0.00 0.00 0.00 61.98 60.08 1wk0 s VAL 35 Cb 0.04 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1wk0 s VAL 35 CO -0.10 -0.76 0.49 -0.22 0.00 0.00 0.00 175.10 174.51 1wk0 s LEU 36 N 1.35 4.18 -0.14 3.92 2.96 -0.56 -2.48 118.68 127.91 1wk0 s LEU 36 Ca 0.06 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1wk0 s LEU 36 Cb -0.26 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 43.78 1wk0 s LEU 36 CO -0.01 -0.12 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.83 1wk0 s THR 37 N 1.32 1.87 0.06 3.68 2.01 0.02 -2.31 115.64 122.29 1wk0 s THR 37 Ca 0.24 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1wk0 s THR 37 Cb -0.15 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1wk0 s THR 37 CO 0.09 0.51 -0.08 -1.66 -0.69 0.00 0.00 174.62 172.79 1wk0 s TRP 38 N 1.07 0.82 0.18 4.92 -2.14 -1.26 -1.64 118.94 120.88 1wk0 s TRP 38 Ca -0.02 -0.61 -0.02 0.00 2.66 0.00 0.00 56.10 58.11 1wk0 s TRP 38 Cb -0.14 -0.47 -0.05 0.00 -3.10 0.00 0.00 33.47 29.71 1wk0 s TRP 38 CO -0.06 -0.08 0.38 -1.12 -2.66 0.00 0.00 176.95 173.41 1wk0 s SER 39 N -2.04 6.41 0.93 -2.66 0.01 -1.26 -4.63 113.70 110.47 1wk0 s SER 39 Ca -0.02 0.44 -0.12 0.00 1.31 0.00 0.00 55.95 57.56 1wk0 s SER 39 Cb -0.06 -2.03 0.15 0.00 0.21 0.00 0.00 66.02 64.29 1wk0 s SER 39 CO -0.01 -0.01 1.09 -2.16 0.41 0.00 0.00 173.24 172.57 1wk0 s PRO 40 N -3.10 0.98 0.66 12.44 0.04 -1.26 -3.95 135.00 140.81 1wk0 s PRO 40 Ca 0.39 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 1wk0 s PRO 40 Cb -0.11 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1wk0 s PRO 40 CO 0.28 -2.41 1.11 -1.25 0.04 0.00 0.00 177.00 174.77 1wk0 s PRO 41 N -4.95 2.79 -0.32 0.56 0.04 -1.26 -4.63 135.00 127.24 1wk0 s PRO 41 Ca 0.64 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1wk0 s PRO 41 Cb -0.18 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1wk0 s PRO 41 CO 0.57 -1.26 0.18 -1.12 0.04 0.00 0.00 177.00 175.41 1wk0 s SER 42 N -2.59 5.70 0.03 6.66 0.01 -1.10 -4.93 113.70 117.47 1wk0 s SER 42 Ca 0.67 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.15 1wk0 s SER 42 Cb -0.20 -2.04 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 1wk0 s SER 42 CO 0.42 -0.20 1.52 -0.94 0.41 0.00 0.00 173.24 174.45 1wk0 s SER 43 N 1.65 6.74 -0.23 2.44 1.04 -1.26 -4.89 113.70 119.19 1wk0 s SER 43 Ca 0.05 2.27 0.14 0.00 0.48 0.00 0.00 55.95 58.89 1wk0 s SER 43 Cb -0.17 -2.56 0.81 0.00 0.10 0.00 0.00 66.02 64.20 1wk0 s SER 43 CO 0.08 -0.80 1.72 0.18 0.98 0.00 0.00 173.24 175.40 1wk0 n LEU 44 N 5.56 5.63 0.11 2.42 4.77 -1.26 -4.44 117.00 129.79 1wk0 n LEU 44 Ca 0.14 -2.86 0.08 0.00 -0.03 0.00 0.00 56.01 53.34 1wk0 n LEU 44 Cb 0.42 -0.68 0.40 0.00 -2.33 0.00 0.00 43.42 41.23 1wk0 n LEU 44 CO 0.60 0.63 0.73 -0.38 -1.33 0.00 0.00 177.39 177.64 1wk0 n ILE 45 N 0.64 1.30 -1.89 -0.08 5.41 -1.26 -4.81 119.36 118.67 1wk0 n ILE 45 Ca 0.27 0.61 -0.09 0.00 1.00 0.00 0.00 62.75 64.54 1wk0 n ILE 45 Cb 1.17 -1.59 -0.01 0.00 -0.71 0.00 0.00 39.64 38.50 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 -2.00 -3.40 0.00 4.38 3.02 -1.26 -2.49 115.26 113.50 1wk0 n ASN 46 Ca -0.01 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1wk0 n ASN 46 Cb 0.05 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 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 -1.28 1.80 0.36 7.41 0.00 -1.26 -4.82 105.19 107.40 1wk0 n GLY 47 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.92 0.00 -6.09 1.61 4.81 -1.88 -3.39 114.58 111.56 1wk0 h GLU 48 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 1wk0 h GLU 48 Cb 0.00 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.26 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 -4.13 2.58 0.64 0.32 -1.32 -1.26 -5.14 115.64 107.33 1wk0 s THR 49 Ca -0.02 -2.18 -0.10 0.00 -1.21 0.00 0.00 61.69 58.18 1wk0 s THR 49 Cb 0.06 -2.59 0.15 0.00 -1.51 0.00 0.00 72.50 68.61 1wk0 s THR 49 CO 0.20 -0.29 0.34 -0.67 -2.21 0.00 0.00 174.62 171.98 1wk0 n ASP 50 N -0.79 -2.64 -0.11 8.08 2.03 -1.26 -4.98 116.55 116.89 1wk0 n ASP 50 Ca -0.05 -0.34 -0.13 0.00 0.52 0.00 0.00 54.79 54.78 1wk0 n ASP 50 Cb 0.61 -0.45 -0.12 0.00 -0.72 0.00 0.00 41.12 40.44 1wk0 n ASP 50 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wk0 n GLU 51 N -2.69 0.75 -1.24 -0.67 0.28 -1.26 -4.47 120.64 111.35 1wk0 n GLU 51 Ca 0.05 0.08 -0.30 0.00 -0.16 0.00 0.00 57.16 56.83 1wk0 n GLU 51 Cb 0.24 -1.47 0.06 0.00 1.43 0.00 0.00 31.44 31.70 1wk0 n GLU 51 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wk0 n SER 52 N -2.98 7.36 -0.06 -1.84 2.88 -1.26 -4.31 113.62 113.41 1wk0 n SER 52 Ca -0.37 -3.59 -0.13 0.00 -1.33 0.00 0.00 58.87 53.45 1wk0 n SER 52 Cb 1.01 -1.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 1wk0 n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wk0 n SER 53 N -0.54 1.00 -4.75 -3.46 3.41 -1.26 -5.01 113.62 103.02 1wk0 n SER 53 Ca 0.54 0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.87 1wk0 n SER 53 Cb 0.62 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1wk0 n SER 53 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1wk0 s VAL 54 N -2.23 2.34 0.94 -3.33 -7.23 -1.26 -4.99 120.40 104.64 1wk0 s VAL 54 Ca -0.17 0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 1wk0 s VAL 54 Cb 0.07 -3.18 0.16 0.00 0.56 0.00 0.00 36.38 33.98 1wk0 s VAL 54 CO 0.22 0.05 1.09 -2.16 -0.31 0.00 0.00 175.10 173.99 1wk0 s PRO 55 N -0.47 0.88 -0.03 4.82 0.04 -1.26 -5.00 135.00 133.98 1wk0 s PRO 55 Ca 0.61 0.68 0.04 0.00 0.04 0.00 0.00 61.00 62.38 1wk0 s PRO 55 Cb -0.45 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.38 1wk0 s PRO 55 CO 0.46 -2.46 0.97 -0.85 0.04 0.00 0.00 177.00 175.16 1wk0 n GLU 56 N -4.01 0.47 -0.75 4.56 0.28 -1.26 -4.77 120.64 115.15 1wk0 n GLU 56 Ca 0.06 -1.33 0.01 0.00 -0.16 0.00 0.00 57.16 55.74 1wk0 n GLU 56 Cb 0.56 -0.76 0.27 0.00 1.43 0.00 0.00 31.44 32.94 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 -0.37 4.85 -4.52 -1.84 7.99 -1.26 -4.83 117.00 117.02 1wk0 n LEU 57 Ca 0.04 -3.23 -0.39 0.00 -0.01 0.00 0.00 56.01 52.41 1wk0 n LEU 57 Cb 0.63 -0.64 -0.10 0.00 -0.11 0.00 0.00 43.42 43.20 1wk0 n LEU 57 CO 0.00 0.83 2.13 -1.22 -1.51 0.00 0.00 177.39 177.62 1wk0 n TYR 58 N -0.43 0.94 -1.44 -1.77 4.01 -1.26 -4.69 117.16 112.51 1wk0 n TYR 58 Ca 0.31 0.28 -0.46 0.00 -0.16 0.00 0.00 57.90 57.86 1wk0 n TYR 58 Cb 1.12 -2.49 -0.10 0.00 -0.31 0.00 0.00 39.34 37.56 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 6.31 -0.07 3.56 2.72 0.00 0.21 -4.48 105.19 113.44 1wk0 n GLY 59 Ca 0.54 1.01 -0.41 0.00 0.00 0.00 0.00 46.02 47.15 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 8.53 3.17 -0.20 1.61 2.02 -0.66 -0.49 117.35 131.34 1wk0 s TYR 60 Ca 1.20 0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 58.00 1wk0 s TYR 60 Cb -1.03 -2.95 -0.03 0.00 -0.40 0.00 0.00 41.96 37.54 1wk0 s TYR 60 CO 0.49 -0.56 0.04 -2.00 -1.57 0.00 0.00 175.55 171.95 1wk0 s GLU 61 N 2.42 3.82 -0.19 -0.62 2.12 0.16 -3.24 118.70 123.18 1wk0 s GLU 61 Ca 0.19 -0.42 -0.22 0.00 0.36 0.00 0.00 54.97 54.89 1wk0 s GLU 61 Cb -0.15 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 1wk0 s GLU 61 CO 0.14 0.14 0.67 0.08 -0.54 0.00 0.00 175.26 175.74 1wk0 s VAL 62 N 0.71 5.00 -0.24 3.70 1.01 -0.95 -1.72 120.40 127.91 1wk0 s VAL 62 Ca 0.02 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 1wk0 s VAL 62 Cb -0.14 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1wk0 s VAL 62 CO 0.02 0.10 -0.06 -0.76 0.00 0.00 0.00 175.10 174.40 1wk0 s LEU 63 N 1.95 3.09 0.20 3.92 1.43 -1.02 -2.96 118.68 125.30 1wk0 s LEU 63 Ca 0.30 -0.75 0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1wk0 s LEU 63 Cb -0.16 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1wk0 s LEU 63 CO 0.11 -0.10 -0.16 0.27 0.23 0.00 0.00 176.35 176.70 1wk0 s ILE 64 N 1.37 2.81 -0.21 -0.59 -4.36 -0.82 -1.85 121.20 117.55 1wk0 s ILE 64 Ca 0.02 -1.90 -0.04 0.00 -0.26 0.00 0.00 60.65 58.47 1wk0 s ILE 64 Cb -0.16 -2.39 0.10 0.00 1.25 0.00 0.00 42.46 41.26 1wk0 s ILE 64 CO -0.04 -0.16 0.24 -0.55 0.24 0.00 0.00 174.94 174.67 1wk0 s SER 65 N -2.90 1.22 0.00 4.36 0.15 -1.19 -1.51 113.70 113.83 1wk0 s SER 65 Ca 0.24 -0.16 0.30 0.00 0.70 0.00 0.00 55.95 57.03 1wk0 s SER 65 Cb -0.08 0.48 1.48 0.00 -1.71 0.00 0.00 66.02 66.19 1wk0 s SER 65 CO 0.13 -0.32 2.01 -1.54 1.20 0.00 0.00 173.24 174.72 1wk0 n SER 66 N 5.33 0.27 -2.91 5.45 3.41 -1.26 -3.93 113.62 119.98 1wk0 n SER 66 Ca -0.05 -0.61 -0.32 0.00 -0.26 0.00 0.00 58.87 57.63 1wk0 n SER 66 Cb 0.50 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1wk0 n SER 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1wk0 n THR 67 N -0.99 3.47 0.00 6.66 -1.04 -1.26 -5.00 114.28 116.11 1wk0 n THR 67 Ca 0.17 -5.24 0.00 0.00 -2.04 0.00 0.00 64.05 56.94 1wk0 n THR 67 Cb 0.23 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 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 -0.34 -1.53 0.09 3.41 0.00 -1.25 -4.44 105.19 101.13 1wk0 n GLY 68 Ca 0.40 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 1wk0 n GLY 68 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wk0 h LYS 69 N 0.00 0.00 -2.11 1.61 3.64 -1.96 -3.33 116.57 114.42 1wk0 h LYS 69 Ca 0.00 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.63 1wk0 h LYS 69 Cb 0.00 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.57 1wk0 h LYS 69 CO 0.00 0.82 1.06 -0.40 -2.27 0.00 0.00 179.45 178.66 1wk0 n ASP 70 N -3.30 7.40 0.00 4.20 5.75 -1.26 -4.91 116.55 124.43 1wk0 n ASP 70 Ca 0.00 -3.69 0.00 0.00 -0.01 0.00 0.00 54.79 51.10 1wk0 n ASP 70 Cb 0.87 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wk0 n GLY 71 N -0.11 5.08 3.80 6.12 0.00 -1.25 -5.15 105.19 113.68 1wk0 n GLY 71 Ca 0.52 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 2.82 3.61 -0.06 1.61 2.20 -1.26 -5.06 119.74 123.59 1wk0 s LYS 72 Ca 0.00 1.30 0.02 0.00 -0.36 0.00 0.00 55.97 56.93 1wk0 s LYS 72 Cb 0.00 -2.07 0.02 0.00 -1.51 0.00 0.00 37.83 34.27 1wk0 s LYS 72 CO 0.00 -0.59 -0.10 0.71 -0.36 0.00 0.00 175.35 175.02 1wk0 s TYR 73 N -2.16 1.23 0.08 4.03 1.51 -1.26 -4.50 117.35 116.27 1wk0 s TYR 73 Ca 0.66 -0.43 0.07 0.00 -1.01 0.00 0.00 57.07 56.36 1wk0 s TYR 73 Cb -0.16 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1wk0 s TYR 73 CO 0.27 -0.25 -0.14 0.21 -1.11 0.00 0.00 175.55 174.53 1wk0 s LYS 74 N 0.75 2.06 0.38 -0.62 2.20 -0.57 -4.91 119.74 119.04 1wk0 s LYS 74 Ca -0.13 -1.02 -0.15 0.00 -0.36 0.00 0.00 55.97 54.30 1wk0 s LYS 74 Cb -0.15 -2.24 -0.09 0.00 -1.51 0.00 0.00 37.83 33.84 1wk0 s LYS 74 CO 0.02 0.52 0.81 -1.12 -0.36 0.00 0.00 175.35 175.23 1wk0 s SER 75 N -1.89 6.74 0.00 1.43 0.01 -1.26 -1.95 113.70 116.78 1wk0 s SER 75 Ca 0.18 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1wk0 s SER 75 Cb -0.11 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wk0 s SER 75 CO 0.10 -0.32 0.00 1.33 0.41 0.00 0.00 173.24 174.76 1wk0 n VAL 76 N -0.75 0.00 -3.80 3.43 0.24 -1.15 -4.97 118.33 111.32 1wk0 n VAL 76 Ca 0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 1wk0 n VAL 76 Cb 0.54 -0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 32.46 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 -1.41 -0.16 -0.24 6.34 6.14 -1.26 -4.82 117.35 121.95 1wk0 s TYR 77 Ca 0.00 0.34 -0.03 0.00 0.64 0.00 0.00 57.07 58.02 1wk0 s TYR 77 Cb 0.00 0.05 0.12 0.00 0.42 0.00 0.00 41.96 42.55 1wk0 s TYR 77 CO 0.00 -0.25 0.30 0.08 0.64 0.00 0.00 175.55 176.32 1wk0 s VAL 78 N -0.68 -0.45 0.00 3.14 1.01 -1.26 -2.25 120.40 119.91 1wk0 s VAL 78 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1wk0 s VAL 78 Cb -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1wk0 s VAL 78 CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1wk0 n GLY 79 N 5.34 4.77 0.03 4.51 0.00 -1.20 -5.00 105.19 113.64 1wk0 n GLY 79 Ca -0.04 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 0.43 -1.51 1.61 4.71 -1.26 -1.66 120.64 122.96 1wk0 n GLU 80 Ca 0.00 0.04 -0.36 0.00 -0.01 0.00 0.00 57.16 56.83 1wk0 n GLU 80 Cb 0.00 -1.14 0.09 0.00 -1.01 0.00 0.00 31.44 29.38 1wk0 n GLU 80 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1wk0 n GLU 81 N -2.66 0.78 -0.05 3.49 0.28 -1.26 -4.50 120.64 116.73 1wk0 n GLU 81 Ca -0.12 0.33 -0.13 0.00 -0.16 0.00 0.00 57.16 57.08 1wk0 n GLU 81 Cb 0.63 -2.46 -0.11 0.00 1.43 0.00 0.00 31.44 30.93 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1wk0 h THR 82 N 0.05 1.52 -3.30 3.84 1.35 -1.92 -3.44 112.91 111.00 1wk0 h THR 82 Ca -0.49 -1.90 -0.59 0.00 -0.55 0.00 0.00 66.41 62.88 1wk0 h THR 82 Cb 1.33 2.75 -0.08 0.00 -1.73 0.00 0.00 68.15 70.42 1wk0 h THR 82 CO 0.50 0.47 0.42 0.21 -0.25 0.00 0.00 175.52 176.87 1wk0 s ASN 83 N -6.00 6.90 0.14 5.36 3.84 -1.26 -4.14 114.94 119.78 1wk0 s ASN 83 Ca -0.17 1.11 -0.04 0.00 0.21 0.00 0.00 52.86 53.97 1wk0 s ASN 83 Cb -0.02 -2.44 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1wk0 s ASN 83 CO 0.62 -0.44 0.15 0.27 -2.79 0.00 0.00 177.10 174.91 1wk0 s ILE 84 N 2.41 0.09 -0.17 -5.21 -5.25 -0.98 -5.04 121.20 107.05 1wk0 s ILE 84 Ca 0.37 -1.69 -0.02 0.00 -0.99 0.00 0.00 60.65 58.32 1wk0 s ILE 84 Cb -0.16 -1.94 -0.01 0.00 2.95 0.00 0.00 42.46 43.30 1wk0 s ILE 84 CO 0.10 -0.41 -0.09 -0.89 -1.79 0.00 0.00 174.94 171.86 1wk0 s THR 85 N -4.01 3.19 0.65 8.37 2.01 -1.26 -1.50 115.64 123.09 1wk0 s THR 85 Ca 0.21 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1wk0 s THR 85 Cb 0.06 -2.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1wk0 s THR 85 CO 0.01 0.48 1.04 -0.76 -0.69 0.00 0.00 174.62 174.70 1wk0 s LEU 86 N 0.91 3.21 0.37 4.42 1.43 -0.45 -4.88 118.68 123.69 1wk0 s LEU 86 Ca -0.02 1.54 -0.05 0.00 -1.03 0.00 0.00 54.13 54.57 1wk0 s LEU 86 Cb -0.15 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.60 1wk0 s LEU 86 CO 0.00 -1.15 0.57 0.20 0.23 0.00 0.00 176.35 176.20 1wk0 s ASN 87 N -3.88 0.82 -1.66 2.29 0.01 -1.26 -3.15 114.94 108.10 1wk0 s ASN 87 Ca 0.57 -1.47 -0.16 0.00 -0.71 0.00 0.00 52.86 51.09 1wk0 s ASN 87 Cb -0.13 0.73 0.13 0.00 0.41 0.00 0.00 41.25 42.40 1wk0 s ASN 87 CO 0.53 -1.44 0.72 -0.90 -1.51 0.00 0.00 177.10 174.50 1wk0 n ASP 88 N -1.57 -2.82 -3.52 -1.22 5.68 -1.26 -4.94 116.55 106.90 1wk0 n ASP 88 Ca -0.01 -1.02 -0.10 0.00 -0.50 0.00 0.00 54.79 53.16 1wk0 n ASP 88 Cb 0.61 -2.77 0.04 0.00 -1.14 0.00 0.00 41.12 37.86 1wk0 n ASP 88 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1wk0 n LEU 89 N -4.39 0.00 -4.29 -2.12 4.77 -1.25 -5.10 117.00 104.62 1wk0 n LEU 89 Ca 0.02 -1.29 -0.36 0.00 -0.03 0.00 0.00 56.01 54.34 1wk0 n LEU 89 Cb 0.52 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 1wk0 n LEU 89 CO 0.85 -0.63 -0.32 -0.54 -1.33 0.00 0.00 177.39 175.42 1wk0 s LYS 90 N -3.42 2.97 0.69 3.23 3.01 -1.26 -4.82 119.74 120.14 1wk0 s LYS 90 Ca 0.32 -0.92 -0.14 0.00 -1.01 0.00 0.00 55.97 54.22 1wk0 s LYS 90 Cb -0.02 -3.25 0.01 0.00 -1.01 0.00 0.00 37.83 33.56 1wk0 s LYS 90 CO 0.20 -0.44 1.11 -1.25 0.51 0.00 0.00 175.35 175.48 1wk0 s PRO 91 N 1.43 2.66 -1.47 -1.68 0.04 -1.23 -3.65 135.00 131.10 1wk0 s PRO 91 Ca 0.01 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 1wk0 s PRO 91 Cb -0.17 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1wk0 s PRO 91 CO 0.00 -1.35 1.01 0.00 0.04 0.00 0.00 177.00 176.70 1wk0 n ALA 92 N -2.70 -1.37 -2.42 8.56 0.00 0.63 -4.80 120.51 118.41 1wk0 n ALA 92 Ca 0.10 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.67 1wk0 n ALA 92 Cb 0.52 -4.49 -0.10 0.00 0.00 0.00 0.00 19.45 15.38 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 -6.47 0.53 -0.17 0.00 0.00 -1.21 -4.95 119.30 107.03 1wk0 s MET 93 Ca 0.58 -0.99 0.01 0.00 0.00 0.00 0.00 55.69 55.28 1wk0 s MET 93 Cb -0.28 0.19 0.03 0.00 0.00 0.00 0.00 34.83 34.76 1wk0 s MET 93 CO 0.80 -0.10 -0.14 0.16 0.00 0.00 0.00 175.02 175.74 1wk0 s ASP 94 N -2.43 2.99 0.21 1.11 1.47 -1.26 -1.15 116.67 117.61 1wk0 s ASP 94 Ca -0.01 -0.64 -0.03 0.00 1.18 0.00 0.00 52.55 53.04 1wk0 s ASP 94 Cb 0.02 -1.24 -0.03 0.00 -0.34 0.00 0.00 42.92 41.32 1wk0 s ASP 94 CO -0.07 -0.08 0.21 -0.72 0.68 0.00 0.00 175.17 175.19 1wk0 s TYR 95 N 1.43 1.00 0.21 2.11 1.13 -1.25 -4.98 117.35 116.99 1wk0 s TYR 95 Ca 0.03 -1.24 0.04 0.00 -1.41 0.00 0.00 57.07 54.48 1wk0 s TYR 95 Cb -0.14 -0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 40.29 1wk0 s TYR 95 CO -0.10 -0.72 0.33 -1.01 -2.51 0.00 0.00 175.55 171.54 1wk0 s HIS 96 N -4.11 3.46 -0.03 -3.49 3.76 -1.26 -1.83 115.29 111.79 1wk0 s HIS 96 Ca 0.35 0.03 -0.10 0.00 -0.15 0.00 0.00 55.06 55.20 1wk0 s HIS 96 Cb 0.05 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 32.15 1wk0 s HIS 96 CO 0.12 0.47 0.22 0.00 -0.85 0.00 0.00 174.74 174.69 1wk0 s ALA 97 N -1.90 -0.54 0.39 -1.40 0.00 -1.03 -3.14 121.76 114.14 1wk0 s ALA 97 Ca 0.34 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.62 1wk0 s ALA 97 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1wk0 s ALA 97 CO 0.29 -0.19 0.19 0.15 0.00 0.00 0.00 175.76 176.20 1wk0 s LYS 98 N -0.86 1.90 -0.08 0.00 1.02 -0.77 -0.12 119.74 120.84 1wk0 s LYS 98 Ca -0.09 -2.15 -0.03 0.00 0.02 0.00 0.00 55.97 53.71 1wk0 s LYS 98 Cb -0.05 -0.26 0.05 0.00 -0.52 0.00 0.00 37.83 37.05 1wk0 s LYS 98 CO 0.02 -0.57 0.15 0.54 -0.92 0.00 0.00 175.35 174.57 1wk0 s VAL 99 N -3.27 -0.25 -0.12 3.17 0.11 -1.26 -2.43 120.40 116.35 1wk0 s VAL 99 Ca 0.29 0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 59.67 1wk0 s VAL 99 Cb 0.02 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1wk0 s VAL 99 CO 0.19 0.15 -0.05 -1.58 -3.33 0.00 0.00 175.10 170.48 1wk0 s GLN 100 N 2.29 3.30 -0.13 1.54 0.74 -0.70 -2.97 119.66 123.73 1wk0 s GLN 100 Ca 0.03 -0.54 -0.12 0.00 0.05 0.00 0.00 55.36 54.79 1wk0 s GLN 100 Cb -0.12 -2.77 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1wk0 s GLN 100 CO -0.06 0.41 0.25 0.00 -0.55 0.00 0.00 175.29 175.35 1wk0 s ALA 101 N -0.12 3.69 -0.04 1.58 0.00 -1.25 -0.67 121.76 124.96 1wk0 s ALA 101 Ca 0.02 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1wk0 s ALA 101 Cb -0.13 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.75 1wk0 s ALA 101 CO 0.03 0.29 -0.07 -2.00 0.00 0.00 0.00 175.76 174.01 1wk0 s GLU 102 N -0.17 0.99 -0.09 0.00 -6.30 0.36 -3.58 118.70 109.92 1wk0 s GLU 102 Ca 0.16 -0.22 -0.14 0.00 -2.50 0.00 0.00 54.97 52.26 1wk0 s GLU 102 Cb -0.13 -0.92 0.03 0.00 0.00 0.00 0.00 34.13 33.11 1wk0 s GLU 102 CO 0.05 0.01 0.36 -0.47 0.02 0.00 0.00 175.26 175.22 1wk0 s TYR 103 N 0.58 -0.33 -1.43 5.30 6.14 -1.13 -0.62 117.35 125.86 1wk0 s TYR 103 Ca -0.09 0.71 -0.03 0.00 0.64 0.00 0.00 57.07 58.31 1wk0 s TYR 103 Cb -0.12 0.13 0.01 0.00 0.42 0.00 0.00 41.96 42.40 1wk0 s TYR 103 CO 0.01 -0.29 0.23 -1.71 0.64 0.00 0.00 175.55 174.44 1wk0 n ASN 104 N 2.18 -5.02 -1.54 4.32 5.15 -1.26 -0.39 115.26 118.70 1wk0 n ASN 104 Ca -0.17 -0.08 -0.14 0.00 -0.60 0.00 0.00 54.58 53.59 1wk0 n ASN 104 Cb 0.57 -4.16 -0.01 0.00 -0.53 0.00 0.00 39.78 35.65 1wk0 n ASN 104 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wk0 n SER 105 N -2.13 -4.38 -4.09 1.20 2.88 -1.26 -4.98 113.62 100.86 1wk0 n SER 105 Ca -0.15 0.03 -0.33 0.00 -1.33 0.00 0.00 58.87 57.09 1wk0 n SER 105 Cb 0.62 -3.49 -0.14 0.00 -0.75 0.00 0.00 64.21 60.46 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wk0 s ILE 106 N -2.68 2.70 -0.25 2.46 1.01 0.47 -5.08 121.20 119.83 1wk0 s ILE 106 Ca 0.00 -1.97 -0.19 0.00 0.00 0.00 0.00 60.65 58.49 1wk0 s ILE 106 Cb 0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1wk0 s ILE 106 CO 0.00 -0.44 0.55 -0.54 0.00 0.00 0.00 174.94 174.51 1wk0 s LYS 107 N 1.07 4.11 0.00 2.79 1.02 -1.26 -2.86 119.74 124.61 1wk0 s LYS 107 Ca 0.04 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.44 1wk0 s LYS 107 Cb -0.20 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 1wk0 s LYS 107 CO -0.05 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 1wk0 n GLY 108 N 4.21 0.71 3.14 -3.33 0.00 -1.23 -5.01 105.19 103.68 1wk0 n GLY 108 Ca -0.03 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 2.39 1.46 0.09 2.61 2.01 -1.26 -5.01 115.64 117.92 1wk0 s THR 109 Ca 0.00 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 60.96 1wk0 s THR 109 Cb 0.00 -1.26 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 1wk0 s THR 109 CO 0.00 0.42 1.38 -2.16 -0.69 0.00 0.00 174.62 173.57 1wk0 s PRO 110 N 0.08 4.32 1.28 4.92 0.04 -1.26 -4.65 135.00 139.73 1wk0 s PRO 110 Ca -0.05 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 1wk0 s PRO 110 Cb -0.12 -3.32 0.30 0.00 0.04 0.00 0.00 34.50 31.40 1wk0 s PRO 110 CO 0.03 -0.45 0.68 -1.13 0.04 0.00 0.00 177.00 176.16 1wk0 n SER 111 N 4.22 -3.66 -3.36 6.66 3.41 -1.16 -4.90 113.62 114.84 1wk0 n SER 111 Ca 0.12 -0.66 -0.13 0.00 -0.26 0.00 0.00 58.87 57.93 1wk0 n SER 111 Cb 0.43 -0.91 0.13 0.00 -0.26 0.00 0.00 64.21 63.59 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 -4.17 -1.52 -4.69 4.33 1.02 -1.26 -4.56 120.64 109.79 1wk0 n GLU 112 Ca 0.10 -0.64 -0.33 0.00 -0.02 0.00 0.00 57.16 56.27 1wk0 n GLU 112 Cb 0.49 -1.19 -0.12 0.00 -0.02 0.00 0.00 31.44 30.60 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wk0 s ALA 113 N -2.05 2.82 -0.30 0.62 0.00 -1.26 -4.41 121.76 117.18 1wk0 s ALA 113 Ca 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1wk0 s ALA 113 Cb -0.05 -1.04 0.07 0.00 0.00 0.00 0.00 23.12 22.09 1wk0 s ALA 113 CO 0.25 0.58 -0.01 -2.00 0.00 0.00 0.00 175.76 174.58 1wk0 s GLU 114 N -1.03 2.20 0.01 0.00 2.56 0.83 -4.80 118.70 118.48 1wk0 s GLU 114 Ca 0.14 -1.43 -0.30 0.00 0.00 0.00 0.00 54.97 53.37 1wk0 s GLU 114 Cb -0.11 -3.13 -0.04 0.00 2.00 0.00 0.00 34.13 32.84 1wk0 s GLU 114 CO 0.03 -0.69 1.18 -1.50 -0.56 0.00 0.00 175.26 173.72 1wk0 s ILE 115 N 1.15 4.20 -0.06 -3.70 2.07 -1.26 -2.48 121.20 121.12 1wk0 s ILE 115 Ca -0.03 1.56 -0.03 0.00 -1.41 0.00 0.00 60.65 60.75 1wk0 s ILE 115 Cb -0.20 -4.00 0.04 0.00 0.13 0.00 0.00 42.46 38.43 1wk0 s ILE 115 CO -0.04 0.07 0.10 0.72 -1.91 0.00 0.00 174.94 173.89 1wk0 s PHE 116 N 1.53 -0.03 0.06 3.50 -0.12 -0.76 -4.99 117.98 117.16 1wk0 s PHE 116 Ca 0.57 0.40 -0.27 0.00 -0.05 0.00 0.00 56.93 57.58 1wk0 s PHE 116 Cb -0.27 -0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 41.68 1wk0 s PHE 116 CO 0.26 -0.22 0.85 0.99 -0.05 0.00 0.00 175.22 177.05 1wk0 s THR 117 N 2.21 4.68 0.19 -4.49 2.01 -1.26 -3.90 115.64 115.08 1wk0 s THR 117 Ca 0.04 1.81 0.04 0.00 0.31 0.00 0.00 61.69 63.90 1wk0 s THR 117 Cb -0.12 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1wk0 s THR 117 CO -0.04 0.32 0.27 0.42 -0.69 0.00 0.00 174.62 174.90 1wk0 s THR 118 N 0.11 5.04 0.75 -0.82 -4.23 -0.30 -4.95 115.64 111.24 1wk0 s THR 118 Ca 0.43 -0.93 -0.10 0.00 -1.18 0.00 0.00 61.69 59.91 1wk0 s THR 118 Cb -0.21 -3.65 0.06 0.00 1.34 0.00 0.00 72.50 70.04 1wk0 s THR 118 CO 0.26 -0.19 1.09 -1.48 -0.54 0.00 0.00 174.62 173.76 1wk0 s LEU 119 N -3.48 2.70 0.44 4.79 2.34 -1.25 -1.92 118.68 122.31 1wk0 s LEU 119 Ca 0.33 0.69 -0.17 0.00 0.06 0.00 0.00 54.13 55.04 1wk0 s LEU 119 Cb -0.10 -3.29 -0.09 0.00 -0.56 0.00 0.00 46.19 42.15 1wk0 s LEU 119 CO 0.27 -1.69 0.91 -0.55 -1.06 0.00 0.00 176.35 174.23 1wk0 s SER 120 N -4.52 6.74 0.28 1.48 0.15 -1.26 -0.27 113.70 116.30 1wk0 s SER 120 Ca 0.60 1.51 0.17 0.00 0.70 0.00 0.00 55.95 58.94 1wk0 s SER 120 Cb -0.11 -2.47 0.99 0.00 -1.71 0.00 0.00 66.02 62.72 1wk0 s SER 120 CO 0.47 -0.42 1.13 0.00 1.20 0.00 0.00 173.24 175.62 1wk0 s GLU 122 N -5.01 3.65 -0.54 0.00 8.01 -1.26 -4.93 118.70 118.62 1wk0 s GLU 122 Ca -0.06 0.09 -0.27 0.00 0.01 0.00 0.00 54.97 54.74 1wk0 s GLU 122 Cb 0.24 -2.59 -0.02 0.00 -4.31 0.00 0.00 34.13 27.45 1wk0 s GLU 122 CO 0.57 0.15 1.82 -1.25 0.01 0.00 0.00 175.26 176.55 1wk0 s PRO 123 N -3.67 2.84 0.00 0.39 0.04 -1.26 -4.70 135.00 128.63 1wk0 s PRO 123 Ca 0.45 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1wk0 s PRO 123 Cb -0.11 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1wk0 s PRO 123 CO 0.31 -2.47 0.00 -0.25 0.04 0.00 0.00 177.00 174.63 1wk0 n ASP 124 N 11.97 4.63 -4.64 6.66 9.92 -1.26 -5.00 116.55 138.82 1wk0 n ASP 124 Ca 0.21 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 54.06 1wk0 n ASP 124 Cb 0.51 0.53 -0.06 0.00 -0.64 0.00 0.00 41.12 41.46 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wk0 s ILE 125 N -1.92 5.01 -0.04 0.53 -1.09 -1.26 -5.03 121.20 117.41 1wk0 s ILE 125 Ca 0.00 1.15 -0.30 0.00 -2.23 0.00 0.00 60.65 59.27 1wk0 s ILE 125 Cb 0.00 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1wk0 s ILE 125 CO 0.00 0.07 1.48 -2.16 -1.23 0.00 0.00 174.94 173.10 1wk0 s PRO 126 N 2.18 4.24 -0.30 2.79 0.04 -1.26 -4.97 135.00 137.72 1wk0 s PRO 126 Ca 0.27 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.27 1wk0 s PRO 126 Cb -0.16 -3.73 0.19 0.00 0.04 0.00 0.00 34.50 30.84 1wk0 s PRO 126 CO 0.09 -0.69 0.88 -0.80 0.04 0.00 0.00 177.00 176.52 1wk0 s ASN 127 N 2.38 -0.84 -0.19 6.66 0.02 -1.26 -5.13 114.94 116.57 1wk0 s ASN 127 Ca 0.66 0.30 -0.29 0.00 -1.02 0.00 0.00 52.86 52.51 1wk0 s ASN 127 Cb -0.31 1.61 -0.03 0.00 0.02 0.00 0.00 41.25 42.54 1wk0 s ASN 127 CO 0.26 -0.16 1.59 -2.16 0.02 0.00 0.00 177.10 176.66 1wk0 s PRO 128 N 2.91 3.88 0.00 -0.60 0.04 -1.26 -4.87 135.00 135.10 1wk0 s PRO 128 Ca 0.14 1.74 0.15 0.00 0.04 0.00 0.00 61.00 63.06 1wk0 s PRO 128 Cb -0.09 -4.01 0.89 0.00 0.04 0.00 0.00 34.50 31.34 1wk0 s PRO 128 CO -0.19 -1.19 1.36 -0.35 0.04 0.00 0.00 177.00 176.67 1wk0 n PRO 129 N 7.51 0.43 -3.56 0.56 -0.04 -1.26 -4.78 135.00 133.86 1wk0 n PRO 129 Ca 0.18 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1wk0 n PRO 129 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.12 0.78 0.51 0.54 3.52 -1.26 -5.15 118.95 115.76 1wk0 s ARG 130 Ca 0.21 -0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 55.30 1wk0 s ARG 130 Cb 0.11 0.34 -0.11 0.00 -1.56 0.00 0.00 34.95 33.73 1wk0 s ARG 130 CO 0.19 -0.35 0.48 -0.89 -0.81 0.00 0.00 175.30 173.92 1wk0 n ILE 131 N -0.26 1.86 -3.72 4.11 5.41 -1.26 -4.93 119.36 120.56 1wk0 n ILE 131 Ca -0.07 -0.50 -0.35 0.00 1.00 0.00 0.00 62.75 62.83 1wk0 n ILE 131 Cb 0.61 -0.58 -0.09 0.00 -0.71 0.00 0.00 39.64 38.87 1wk0 n ILE 131 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1wk0 s SER 132 N -1.06 5.44 -0.22 4.38 1.04 -1.26 -4.90 113.70 117.12 1wk0 s SER 132 Ca 0.65 -3.35 -0.17 0.00 0.48 0.00 0.00 55.95 53.56 1wk0 s SER 132 Cb -0.51 -1.84 0.03 0.00 0.10 0.00 0.00 66.02 63.80 1wk0 s SER 132 CO 0.57 -0.25 0.30 0.61 0.98 0.00 0.00 173.24 175.45 1wk0 n GLY 133 N 2.79 -0.18 3.65 7.32 0.00 -1.26 -4.80 105.19 112.71 1wk0 n GLY 133 Ca 0.15 0.56 -0.43 0.00 0.00 0.00 0.00 46.02 46.30 1wk0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wk0 s PRO 134 N -1.70 4.10 -0.95 1.61 0.04 -1.26 -4.84 135.00 131.99 1wk0 s PRO 134 Ca 0.17 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 1wk0 s PRO 134 Cb -0.02 -3.94 -0.22 0.00 0.04 0.00 0.00 34.50 30.36 1wk0 s PRO 134 CO 0.43 -0.92 2.53 0.43 0.04 0.00 0.00 177.00 179.51 1wk0 n SER 135 N 7.33 0.13 -4.83 6.66 7.64 -1.26 -4.87 113.62 124.42 1wk0 n SER 135 Ca 0.17 0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.92 1wk0 n SER 135 Cb 0.44 -0.85 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 1wk0 n SER 135 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wk0 s SER 136 N 7.83 5.59 0.00 6.43 0.15 -1.26 -5.29 113.70 127.15 1wk0 s SER 136 Ca 1.30 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1wk0 s SER 136 Cb -1.17 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wk0 s SER 136 CO 0.47 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.53