#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d95 s ASN 2 N 0.00 4.49 0.00 3.54 3.84 -1.26 -4.97 114.94 120.58 3d95 s ASN 2 Ca 0.00 -1.23 0.29 0.00 0.21 0.00 0.00 52.86 52.13 3d95 s ASN 2 Cb 0.00 -1.62 1.22 0.00 -0.55 0.00 0.00 41.25 40.30 3d95 s ASN 2 CO 0.00 -0.19 1.85 0.49 -2.79 0.00 0.00 177.10 176.46 3d95 n PHE 3 N 4.54 0.00 -1.80 0.43 3.01 -1.26 -4.96 117.46 117.42 3d95 n PHE 3 Ca -0.15 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.91 3d95 n PHE 3 Cb 0.44 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 3d95 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3d95 s SER 4 N -2.32 6.29 0.00 4.37 0.01 -1.26 -4.71 113.70 116.08 3d95 s SER 4 Ca 0.33 3.04 0.00 0.00 1.31 0.00 0.00 55.95 60.63 3d95 s SER 4 Cb 0.20 -2.67 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3d95 s SER 4 CO 0.44 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.79 3d95 n GLY 5 N 0.47 -1.24 3.43 3.44 0.00 -0.13 -4.96 105.19 106.19 3d95 n GLY 5 Ca 0.01 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 3d95 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d95 s ASN 6 N -0.90 4.89 -0.05 1.61 0.01 -1.26 -1.04 114.94 118.21 3d95 s ASN 6 Ca 0.00 -0.23 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 3d95 s ASN 6 Cb 0.00 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 3d95 s ASN 6 CO 0.00 0.01 -0.17 0.26 -1.51 0.00 0.00 177.10 175.69 3d95 s TRP 7 N 1.36 2.62 0.01 2.20 0.52 0.55 -0.14 118.94 126.06 3d95 s TRP 7 Ca 0.05 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 55.98 3d95 s TRP 7 Cb -0.15 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3d95 s TRP 7 CO 0.02 0.11 -0.22 -1.59 0.02 0.00 0.00 176.95 175.29 3d95 s LYS 8 N -0.64 1.66 0.21 4.98 -2.85 0.39 -2.76 119.74 120.74 3d95 s LYS 8 Ca 0.10 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 53.91 3d95 s LYS 8 Cb -0.11 -1.68 -0.08 0.00 -2.06 0.00 0.00 37.83 33.90 3d95 s LYS 8 CO 0.01 0.45 1.05 -1.50 0.10 0.00 0.00 175.35 175.45 3d95 s ILE 9 N -0.62 3.89 0.00 3.79 2.07 -1.26 -1.19 121.20 127.88 3d95 s ILE 9 Ca 0.08 1.74 0.00 0.00 -1.41 0.00 0.00 60.65 61.06 3d95 s ILE 9 Cb -0.09 -4.11 0.00 0.00 0.13 0.00 0.00 42.46 38.40 3d95 s ILE 9 CO 0.00 0.35 0.00 2.30 -1.91 0.00 0.00 174.94 175.68 3d95 n ILE 10 N 1.96 0.00 -3.85 2.00 -5.35 0.78 -4.91 119.36 110.00 3d95 n ILE 10 Ca 0.01 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.37 3d95 n ILE 10 Cb 0.46 0.34 -0.11 0.00 -1.74 0.00 0.00 39.64 38.59 3d95 n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3d95 s ARG 11 N -1.90 0.38 -0.10 6.28 1.81 -0.95 -4.96 118.95 119.51 3d95 s ARG 11 Ca 0.00 -0.17 -0.04 0.00 -1.72 0.00 0.00 55.73 53.80 3d95 s ARG 11 Cb 0.00 0.16 0.05 0.00 -0.45 0.00 0.00 34.95 34.71 3d95 s ARG 11 CO 0.00 -0.08 0.22 0.45 -0.68 0.00 0.00 175.30 175.21 3d95 s SER 12 N -0.85 -0.12 -0.05 0.23 0.15 -1.26 -0.96 113.70 110.83 3d95 s SER 12 Ca -0.09 0.46 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 3d95 s SER 12 Cb -0.05 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 3d95 s SER 12 CO 0.01 -0.17 0.00 -0.70 1.20 0.00 0.00 173.24 173.58 3d95 s GLU 13 N 1.39 0.50 -0.35 5.44 2.56 0.27 -4.87 118.70 123.63 3d95 s GLU 13 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.97 54.99 3d95 s GLU 13 Cb -0.11 -0.79 0.00 0.00 2.00 0.00 0.00 34.13 35.23 3d95 s GLU 13 CO -0.08 -0.24 0.00 -1.71 -0.56 0.00 0.00 175.26 172.68 3d95 n ASN 14 N 4.78 -3.53 -0.02 -1.70 5.15 -1.26 -1.81 115.26 116.87 3d95 n ASN 14 Ca -0.13 0.08 -0.12 0.00 -0.60 0.00 0.00 54.58 53.80 3d95 n ASN 14 Cb 0.50 -1.32 -0.08 0.00 -0.53 0.00 0.00 39.78 38.35 3d95 n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3d95 h PHE 15 N 0.00 0.11 -0.80 1.20 3.57 -1.91 -2.30 116.94 116.82 3d95 h PHE 15 Ca -0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3d95 h PHE 15 Cb 0.26 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 3d95 h PHE 15 CO 0.12 0.41 0.50 1.49 -2.23 0.00 0.00 178.31 178.61 3d95 h GLU 16 N -0.22 1.06 -0.44 1.11 4.81 -1.95 -2.15 114.58 116.79 3d95 h GLU 16 Ca 0.01 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3d95 h GLU 16 Cb 0.38 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3d95 h GLU 16 CO 0.00 0.72 -0.16 0.93 -0.73 0.00 0.00 179.01 179.77 3d95 h GLU 17 N 1.09 0.84 -0.34 1.92 3.07 -1.97 0.18 114.58 119.37 3d95 h GLU 17 Ca 0.29 -0.32 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3d95 h GLU 17 Cb -0.09 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.74 3d95 h GLU 17 CO -0.06 0.95 0.17 1.25 -1.40 0.00 0.00 179.01 179.91 3d95 h LEU 18 N 0.75 0.24 -0.99 1.33 5.85 -1.00 -0.22 115.31 121.27 3d95 h LEU 18 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3d95 h LEU 18 Cb 0.68 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3d95 h LEU 18 CO 0.05 0.18 0.43 -0.07 -0.34 0.00 0.00 178.44 178.69 3d95 h LEU 19 N 0.34 1.02 -0.07 2.25 3.38 -0.98 -2.87 115.31 118.39 3d95 h LEU 19 Ca 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3d95 h LEU 19 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3d95 h LEU 19 CO -0.10 0.83 0.02 0.50 0.09 0.00 0.00 178.44 179.79 3d95 h LYS 20 N 1.14 0.11 0.00 1.13 3.64 -0.49 -1.61 116.57 120.49 3d95 h LYS 20 Ca 0.28 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3d95 h LYS 20 Cb 0.05 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3d95 h LYS 20 CO -0.04 0.26 0.00 1.33 -2.27 0.00 0.00 179.45 178.73 3d95 n VAL 21 N -4.93 0.79 0.79 2.00 0.24 -0.14 -0.89 118.33 116.20 3d95 n VAL 21 Ca -0.06 0.16 0.12 0.00 -2.04 0.00 0.00 64.34 62.52 3d95 n VAL 21 Cb 0.12 -1.08 0.51 0.00 -1.47 0.00 0.00 33.84 31.92 3d95 n VAL 21 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3d95 n LEU 22 N -2.24 0.19 0.00 1.34 4.77 -1.02 -4.95 117.00 115.10 3d95 n LEU 22 Ca 0.03 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3d95 n LEU 22 Cb 0.26 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3d95 n LEU 22 CO 0.21 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3d95 n GLY 23 N 1.04 0.79 3.73 -0.72 0.00 -0.06 -5.05 105.19 104.92 3d95 n GLY 23 Ca 0.06 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3d95 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d95 s VAL 24 N -2.00 3.45 0.77 1.61 1.01 -0.64 -4.97 120.40 119.63 3d95 s VAL 24 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 3d95 s VAL 24 Cb 0.00 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3d95 s VAL 24 CO 0.00 0.13 1.10 0.54 0.00 0.00 0.00 175.10 176.88 3d95 s ASN 25 N 0.65 4.41 0.27 3.32 2.20 -1.26 -4.60 114.94 119.93 3d95 s ASN 25 Ca 0.59 1.90 -0.01 0.00 -0.94 0.00 0.00 52.86 54.40 3d95 s ASN 25 Cb -0.35 -2.53 0.39 0.00 -2.00 0.00 0.00 41.25 36.76 3d95 s ASN 25 CO 0.34 -2.10 1.79 1.62 -2.94 0.00 0.00 177.10 175.81 3d95 h VAL 26 N -1.02 1.23 -0.44 3.54 3.04 -1.98 0.17 116.25 120.79 3d95 h VAL 26 Ca -0.44 -0.93 -0.05 0.00 -1.01 0.00 0.00 66.70 64.27 3d95 h VAL 26 Cb 1.24 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 3d95 h VAL 26 CO 0.51 0.33 0.08 0.24 -1.01 0.00 0.00 177.57 177.71 3d95 h MET 27 N 0.72 0.73 -0.21 4.17 2.86 -1.99 -0.55 114.93 120.65 3d95 h MET 27 Ca 0.15 -0.19 -0.17 0.00 -2.06 0.00 0.00 59.70 57.43 3d95 h MET 27 Cb 0.40 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3d95 h MET 27 CO 0.01 0.75 -0.55 1.25 1.06 0.00 0.00 176.91 179.44 3d95 h LEU 28 N 0.59 0.72 -0.71 1.22 5.85 -1.83 -1.38 115.31 119.77 3d95 h LEU 28 Ca 0.13 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3d95 h LEU 28 Cb 0.37 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3d95 h LEU 28 CO 0.01 1.12 0.44 0.03 -0.34 0.00 0.00 178.44 179.70 3d95 h ARG 29 N 0.50 0.82 -0.36 1.25 3.08 -0.39 0.20 114.38 119.48 3d95 h ARG 29 Ca 0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3d95 h ARG 29 Cb 1.11 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3d95 h ARG 29 CO 0.11 0.54 0.06 0.87 -1.07 0.00 0.00 179.97 180.48 3d95 h LYS 30 N 0.84 0.59 -0.22 0.04 1.79 -0.92 0.44 116.57 119.13 3d95 h LYS 30 Ca 0.30 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 3d95 h LYS 30 Cb 0.07 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3d95 h LYS 30 CO -0.13 0.67 0.06 0.82 -1.08 0.00 0.00 179.45 179.78 3d95 h ILE 31 N 0.43 1.20 -0.67 1.86 2.04 -0.99 -2.10 117.51 119.28 3d95 h ILE 31 Ca 0.11 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 3d95 h ILE 31 Cb 0.36 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3d95 h ILE 31 CO 0.01 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.50 3d95 h ALA 32 N 0.87 0.89 0.05 1.87 0.00 -0.52 0.64 119.26 123.06 3d95 h ALA 32 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d95 h ALA 32 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d95 h ALA 32 CO 0.00 0.64 -0.02 0.28 0.00 0.00 0.00 179.25 180.14 3d95 h VAL 33 N 1.02 1.06 -0.48 0.00 2.07 -0.84 -1.70 116.25 117.39 3d95 h VAL 33 Ca 0.21 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3d95 h VAL 33 Cb 0.41 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3d95 h VAL 33 CO 0.01 0.09 0.14 0.00 0.02 0.00 0.00 177.57 177.83 3d95 h ALA 34 N 0.71 0.63 -0.53 1.67 0.00 -1.30 -2.63 119.26 117.82 3d95 h ALA 34 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3d95 h ALA 34 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3d95 h ALA 34 CO 0.01 0.30 0.35 0.00 0.00 0.00 0.00 179.25 179.91 3d95 h ALA 35 N 1.00 1.73 -0.61 0.00 0.00 -0.75 -2.45 119.26 118.19 3d95 h ALA 35 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3d95 h ALA 35 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3d95 h ALA 35 CO -0.00 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3d95 n ALA 36 N -2.47 2.78 0.25 0.00 0.00 -0.65 -2.44 120.51 117.98 3d95 n ALA 36 Ca 0.06 -1.29 0.13 0.00 0.00 0.00 0.00 53.44 52.34 3d95 n ALA 36 Cb 0.13 -1.00 0.58 0.00 0.00 0.00 0.00 19.45 19.17 3d95 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d95 h SER 37 N 3.70 0.00 -1.49 0.00 4.64 -1.07 -3.33 113.55 116.01 3d95 h SER 37 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3d95 h SER 37 Cb 1.14 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.90 3d95 h SER 37 CO 0.13 0.13 -0.95 0.29 -0.87 0.00 0.00 176.83 175.56 3d95 n LYS 38 N -3.32 0.74 -1.71 4.77 4.01 -1.26 -4.93 118.16 116.46 3d95 n LYS 38 Ca -0.00 -2.85 -0.31 0.00 -0.51 0.00 0.00 58.31 54.64 3d95 n LYS 38 Cb 0.36 -1.29 0.03 0.00 -0.51 0.00 0.00 35.03 33.62 3d95 n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3d95 s PRO 39 N -0.75 3.14 -0.22 1.97 0.04 -1.25 -4.92 135.00 133.00 3d95 s PRO 39 Ca 0.34 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 3d95 s PRO 39 Cb 0.19 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 3d95 s PRO 39 CO -0.14 -0.94 0.31 0.00 0.04 0.00 0.00 177.00 176.27 3d95 s ALA 40 N -2.98 3.58 -0.14 8.56 0.00 0.31 -4.54 121.76 126.54 3d95 s ALA 40 Ca 0.58 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.86 3d95 s ALA 40 Cb -0.14 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.47 3d95 s ALA 40 CO 0.52 -0.31 -0.19 0.08 0.00 0.00 0.00 175.76 175.86 3d95 s VAL 41 N 1.32 1.86 -0.11 0.00 1.01 -1.11 -0.63 120.40 122.75 3d95 s VAL 41 Ca 0.14 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3d95 s VAL 41 Cb -0.14 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3d95 s VAL 41 CO 0.07 0.51 -0.21 -0.70 0.00 0.00 0.00 175.10 174.77 3d95 s GLU 42 N 1.04 3.12 -0.07 2.72 2.12 0.24 -0.33 118.70 127.54 3d95 s GLU 42 Ca -0.03 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.51 3d95 s GLU 42 Cb -0.15 -2.39 -0.00 0.00 0.26 0.00 0.00 34.13 31.85 3d95 s GLU 42 CO -0.05 0.17 -0.20 0.42 -0.54 0.00 0.00 175.26 175.05 3d95 s ILE 43 N 0.39 1.72 -0.21 -3.70 1.01 -0.20 -0.61 121.20 119.60 3d95 s ILE 43 Ca -0.16 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3d95 s ILE 43 Cb -0.17 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 40.85 3d95 s ILE 43 CO 0.07 0.48 -0.15 -0.54 0.00 0.00 0.00 174.94 174.81 3d95 s LYS 44 N 0.22 2.49 -0.15 2.79 1.02 0.07 -0.95 119.74 125.23 3d95 s LYS 44 Ca -0.11 -0.96 -0.02 0.00 0.02 0.00 0.00 55.97 54.90 3d95 s LYS 44 Cb -0.15 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3d95 s LYS 44 CO 0.05 -0.37 -0.09 -1.14 -0.92 0.00 0.00 175.35 172.88 3d95 s GLN 45 N 1.27 3.46 -0.40 1.68 0.74 -1.26 -0.87 119.66 124.29 3d95 s GLN 45 Ca -0.01 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 54.79 3d95 s GLN 45 Cb -0.16 -2.77 0.12 0.00 1.10 0.00 0.00 33.01 31.30 3d95 s GLN 45 CO -0.09 0.15 0.17 -1.21 -0.55 0.00 0.00 175.29 173.76 3d95 s GLU 46 N 0.55 1.25 7.94 1.67 2.02 0.39 -4.83 118.70 127.69 3d95 s GLU 46 Ca -0.06 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.12 3d95 s GLU 46 Cb -0.15 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.56 3d95 s GLU 46 CO 0.03 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.65 3d95 n GLY 47 N 3.96 3.89 0.39 -1.39 0.00 -1.26 -1.51 105.19 109.28 3d95 n GLY 47 Ca 0.04 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3d95 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d95 n ASP 48 N 8.16 1.22 -4.77 1.61 8.00 -1.26 -4.86 116.55 124.65 3d95 n ASP 48 Ca 0.00 -1.43 -0.36 0.00 0.71 0.00 0.00 54.79 53.71 3d95 n ASP 48 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 3d95 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3d95 s THR 49 N -1.98 5.36 0.03 -3.53 2.01 -0.57 -1.13 115.64 115.83 3d95 s THR 49 Ca 0.39 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.82 3d95 s THR 49 Cb 0.21 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 3d95 s THR 49 CO 0.33 0.47 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.21 3d95 s PHE 50 N 0.01 1.37 -0.11 4.92 0.40 0.69 -0.46 117.98 124.81 3d95 s PHE 50 Ca 0.14 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 3d95 s PHE 50 Cb -0.12 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.58 3d95 s PHE 50 CO 0.02 0.04 -0.21 -0.47 0.70 0.00 0.00 175.22 175.30 3d95 s TYR 51 N -0.74 2.44 -0.08 0.36 5.04 -0.05 -1.43 117.35 122.90 3d95 s TYR 51 Ca 0.04 -1.10 0.01 0.00 -2.44 0.00 0.00 57.07 53.58 3d95 s TYR 51 Cb -0.08 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.59 3d95 s TYR 51 CO 0.01 -0.48 -0.08 0.42 -1.34 0.00 0.00 175.55 174.08 3d95 s ILE 52 N 0.61 0.91 -0.12 3.14 1.01 -0.38 -0.75 121.20 125.62 3d95 s ILE 52 Ca -0.13 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3d95 s ILE 52 Cb -0.17 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 3d95 s ILE 52 CO 0.04 0.32 -0.17 -0.75 0.00 0.00 0.00 174.94 174.38 3d95 s LYS 53 N 1.17 3.26 -0.13 2.79 2.20 0.22 -0.98 119.74 128.27 3d95 s LYS 53 Ca -0.06 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3d95 s LYS 53 Cb -0.14 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.66 3d95 s LYS 53 CO -0.02 0.17 -0.19 0.08 -0.36 0.00 0.00 175.35 175.03 3d95 s VAL 54 N 0.42 1.83 -0.05 4.02 1.01 -0.17 -0.59 120.40 126.86 3d95 s VAL 54 Ca -0.13 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3d95 s VAL 54 Cb -0.16 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3d95 s VAL 54 CO 0.06 0.50 -0.14 -0.44 0.00 0.00 0.00 175.10 175.09 3d95 s SER 55 N 0.89 1.86 0.15 3.32 0.01 0.20 -0.64 113.70 119.50 3d95 s SER 55 Ca -0.07 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.90 3d95 s SER 55 Cb -0.15 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.38 3d95 s SER 55 CO -0.02 0.08 0.14 0.35 0.41 0.00 0.00 173.24 174.20 3d95 n THR 56 N 3.53 0.00 0.21 1.44 -2.24 0.26 -0.53 114.28 116.95 3d95 n THR 56 Ca -0.21 -0.58 0.07 0.00 -2.27 0.00 0.00 64.05 61.07 3d95 n THR 56 Cb 0.52 -0.50 0.60 0.00 -2.10 0.00 0.00 70.33 68.85 3d95 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3d95 h THR 57 N 0.41 1.02 0.00 4.28 1.35 -1.84 -3.30 112.91 114.83 3d95 h THR 57 Ca -0.09 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3d95 h THR 57 Cb 0.34 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3d95 h THR 57 CO 0.14 0.02 0.00 1.33 -0.25 0.00 0.00 175.52 176.76 3d95 n VAL 58 N -4.52 0.00 -3.89 6.82 0.24 -1.26 -5.07 118.33 110.64 3d95 n VAL 58 Ca -0.02 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 3d95 n VAL 58 Cb 0.09 1.12 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 3d95 n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3d95 s ARG 59 N -0.36 0.27 -0.02 7.34 3.52 -1.25 -5.14 118.95 123.31 3d95 s ARG 59 Ca 0.00 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.40 3d95 s ARG 59 Cb 0.00 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.49 3d95 s ARG 59 CO 0.00 -0.05 -0.20 0.99 -0.81 0.00 0.00 175.30 175.23 3d95 s THR 60 N -0.84 1.59 -0.04 4.11 2.01 -1.26 -0.58 115.64 120.63 3d95 s THR 60 Ca -0.09 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.09 3d95 s THR 60 Cb -0.06 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3d95 s THR 60 CO 0.00 0.45 -0.13 0.42 -0.69 0.00 0.00 174.62 174.67 3d95 s THR 61 N -0.36 1.15 -0.06 -0.82 -4.23 0.18 -5.00 115.64 106.51 3d95 s THR 61 Ca 0.05 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 60.04 3d95 s THR 61 Cb -0.09 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.74 3d95 s THR 61 CO 0.00 0.34 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.66 3d95 s GLU 62 N 0.19 1.84 0.06 3.99 2.02 -1.26 -1.00 118.70 124.54 3d95 s GLU 62 Ca -0.05 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.44 3d95 s GLU 62 Cb -0.11 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 3d95 s GLU 62 CO 0.02 0.16 -0.15 0.96 0.02 0.00 0.00 175.26 176.26 3d95 s ILE 63 N 0.28 1.22 -0.09 -1.63 -4.36 -0.15 -5.00 121.20 111.47 3d95 s ILE 63 Ca -0.09 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 3d95 s ILE 63 Cb -0.13 -1.13 0.02 0.00 1.25 0.00 0.00 42.46 42.47 3d95 s ILE 63 CO 0.03 -0.08 -0.07 0.20 0.24 0.00 0.00 174.94 175.26 3d95 s ASN 64 N -1.47 1.86 0.09 4.36 0.01 -1.26 -1.25 114.94 117.28 3d95 s ASN 64 Ca 0.01 -0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 51.77 3d95 s ASN 64 Cb -0.09 -0.74 0.02 0.00 0.41 0.00 0.00 41.25 40.85 3d95 s ASN 64 CO 0.02 -0.08 0.32 0.72 -1.51 0.00 0.00 177.10 176.56 3d95 s PHE 65 N 1.39 -0.08 -0.06 2.20 -0.12 -0.51 -4.86 117.98 115.94 3d95 s PHE 65 Ca -0.02 -0.20 0.05 0.00 -0.05 0.00 0.00 56.93 56.71 3d95 s PHE 65 Cb -0.13 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 3d95 s PHE 65 CO -0.04 -0.59 -0.21 0.21 -0.05 0.00 0.00 175.22 174.54 3d95 s LYS 66 N -3.40 2.54 0.17 1.99 2.20 -1.26 -0.22 119.74 121.75 3d95 s LYS 66 Ca 0.01 -0.82 -0.34 0.00 -0.36 0.00 0.00 55.97 54.46 3d95 s LYS 66 Cb 0.02 -2.25 -0.15 0.00 -1.51 0.00 0.00 37.83 33.94 3d95 s LYS 66 CO -0.09 0.47 1.41 0.28 -0.36 0.00 0.00 175.35 177.06 3d95 n VAL 67 N 2.71 0.40 -0.56 4.02 0.31 -0.29 -1.49 118.33 123.44 3d95 n VAL 67 Ca -0.17 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3d95 n VAL 67 Cb 0.52 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 3d95 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d95 n GLY 68 N 2.64 0.87 3.18 2.92 0.00 0.02 -5.01 105.19 109.80 3d95 n GLY 68 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3d95 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d95 s GLU 69 N -0.40 2.77 0.41 1.61 2.02 -0.55 -4.99 118.70 119.56 3d95 s GLU 69 Ca 0.00 -0.78 -0.25 0.00 0.02 0.00 0.00 54.97 53.95 3d95 s GLU 69 Cb 0.00 -2.11 -0.08 0.00 0.10 0.00 0.00 34.13 32.03 3d95 s GLU 69 CO 0.00 0.15 1.25 -1.21 0.02 0.00 0.00 175.26 175.47 3d95 s GLU 70 N 0.41 3.96 0.21 1.61 2.02 -1.26 -4.55 118.70 121.10 3d95 s GLU 70 Ca -0.18 2.03 -0.05 0.00 0.02 0.00 0.00 54.97 56.78 3d95 s GLU 70 Cb -0.18 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 3d95 s GLU 70 CO 0.08 -0.46 0.25 -0.59 0.02 0.00 0.00 175.26 174.56 3d95 s PHE 71 N -1.33 0.84 -0.09 1.61 -0.71 -0.57 -4.97 117.98 112.77 3d95 s PHE 71 Ca 0.58 -1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 55.33 3d95 s PHE 71 Cb -0.35 -0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 41.15 3d95 s PHE 71 CO 0.44 -0.75 -0.02 -1.21 -1.34 0.00 0.00 175.22 172.35 3d95 s GLU 72 N -4.10 2.99 0.00 1.99 2.02 -1.26 -0.12 118.70 120.21 3d95 s GLU 72 Ca 0.31 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.86 3d95 s GLU 72 Cb 0.04 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.51 3d95 s GLU 72 CO 0.10 0.66 0.00 -0.85 0.02 0.00 0.00 175.26 175.18 3d95 n GLU 73 N 2.27 0.00 -4.30 1.61 0.28 -0.41 -4.88 120.64 115.21 3d95 n GLU 73 Ca -0.18 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.61 3d95 n GLU 73 Cb 0.53 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.29 3d95 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3d95 s GLN 74 N 1.16 1.18 1.02 3.44 -0.21 -1.26 -0.85 119.66 124.15 3d95 s GLN 74 Ca 0.00 -1.33 -0.13 0.00 0.02 0.00 0.00 55.36 53.91 3d95 s GLN 74 Cb 0.00 -1.20 0.20 0.00 1.00 0.00 0.00 33.01 33.01 3d95 s GLN 74 CO 0.00 0.24 1.11 0.95 -2.12 0.00 0.00 175.29 175.47 3d95 s THR 75 N -2.00 1.95 0.45 -0.19 -4.23 0.28 -4.85 115.64 107.05 3d95 s THR 75 Ca 0.13 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.78 3d95 s THR 75 Cb -0.06 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.56 3d95 s THR 75 CO 0.05 0.00 2.01 1.62 -0.54 0.00 0.00 174.62 177.76 3d95 h VAL 76 N -1.95 0.91 -0.52 2.29 3.04 -1.98 0.68 116.25 118.72 3d95 h VAL 76 Ca -0.53 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3d95 h VAL 76 Cb 1.33 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3d95 h VAL 76 CO 0.55 0.06 0.00 -0.90 -1.01 0.00 0.00 177.57 176.27 3d95 n ASP 77 N -4.47 2.87 0.00 3.17 5.75 -1.26 -4.95 116.55 117.67 3d95 n ASP 77 Ca 0.08 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3d95 n ASP 77 Cb 0.33 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3d95 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d95 n GLY 78 N 1.29 0.79 3.71 6.12 0.00 0.23 -5.06 105.19 112.27 3d95 n GLY 78 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3d95 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d95 s ARG 79 N -0.73 4.47 0.37 1.61 0.52 -1.26 -4.71 118.95 119.23 3d95 s ARG 79 Ca 0.00 1.03 -0.28 0.00 -0.52 0.00 0.00 55.73 55.96 3d95 s ARG 79 Cb 0.00 -3.46 -0.11 0.00 0.52 0.00 0.00 34.95 31.91 3d95 s ARG 79 CO 0.00 0.02 1.47 -2.14 0.02 0.00 0.00 175.30 174.67 3d95 s PRO 80 N 0.90 4.12 0.06 3.54 0.02 -1.26 -0.56 135.00 141.82 3d95 s PRO 80 Ca 0.41 2.54 -0.09 0.00 0.02 0.00 0.00 61.00 63.89 3d95 s PRO 80 Cb -0.19 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3d95 s PRO 80 CO 0.21 -0.51 0.19 0.00 -0.33 0.00 0.00 177.00 176.55 3d95 s LYS 82 N -3.06 4.21 0.27 0.00 2.20 0.91 -1.29 119.74 122.98 3d95 s LYS 82 Ca -0.01 0.07 0.12 0.00 -0.36 0.00 0.00 55.97 55.79 3d95 s LYS 82 Cb 0.01 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3d95 s LYS 82 CO -0.07 0.15 -0.20 -1.12 -0.36 0.00 0.00 175.35 173.75 3d95 s SER 83 N 0.69 3.58 -0.15 1.43 0.01 0.82 -0.60 113.70 119.48 3d95 s SER 83 Ca 0.16 -1.01 -0.06 0.00 1.31 0.00 0.00 55.95 56.35 3d95 s SER 83 Cb -0.13 -0.30 0.07 0.00 0.21 0.00 0.00 66.02 65.86 3d95 s SER 83 CO 0.05 0.05 0.32 -0.22 0.41 0.00 0.00 173.24 173.85 3d95 s LEU 84 N -3.40 -0.22 -0.09 2.44 2.96 -0.66 -1.51 118.68 118.19 3d95 s LEU 84 Ca 0.29 0.73 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 3d95 s LEU 84 Cb -0.05 0.97 -0.04 0.00 0.50 0.00 0.00 46.19 47.57 3d95 s LEU 84 CO 0.14 -0.22 0.08 -0.69 -1.32 0.00 0.00 176.35 174.35 3d95 s VAL 85 N 2.09 4.97 0.12 1.68 1.01 -1.26 -1.43 120.40 127.58 3d95 s VAL 85 Ca -0.03 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.97 3d95 s VAL 85 Cb -0.11 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3d95 s VAL 85 CO -0.10 0.58 -0.13 -1.59 0.00 0.00 0.00 175.10 173.86 3d95 s LYS 86 N -1.07 1.01 -0.25 2.72 0.00 -0.29 -0.80 119.74 121.07 3d95 s LYS 86 Ca 0.15 -1.26 -0.27 0.00 0.00 0.00 0.00 55.97 54.59 3d95 s LYS 86 Cb -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 37.83 36.89 3d95 s LYS 86 CO 0.05 0.15 0.97 -1.58 0.00 0.00 0.00 175.35 174.93 3d95 s TRP 87 N -2.35 3.31 0.08 1.78 0.52 -1.26 -0.92 118.94 120.10 3d95 s TRP 87 Ca 0.10 1.31 -0.08 0.00 0.02 0.00 0.00 56.10 57.45 3d95 s TRP 87 Cb -0.04 -3.24 -0.23 0.00 -1.15 0.00 0.00 33.47 28.81 3d95 s TRP 87 CO 0.02 -0.49 1.17 1.49 0.02 0.00 0.00 176.95 179.17 3d95 h GLU 88 N 7.62 0.44 0.00 4.98 4.81 -1.31 -3.48 114.58 127.63 3d95 h GLU 88 Ca -0.21 -0.60 -0.26 0.00 -0.13 0.00 0.00 59.36 58.16 3d95 h GLU 88 Cb 1.07 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 3d95 h GLU 88 CO 0.95 1.25 -0.11 -1.13 -0.73 0.00 0.00 179.01 179.24 3d95 n SER 89 N -3.69 -1.46 -0.20 1.04 3.41 -1.10 -5.01 113.62 106.61 3d95 n SER 89 Ca -0.10 -2.89 0.13 0.00 -0.26 0.00 0.00 58.87 55.75 3d95 n SER 89 Cb 0.96 2.68 0.44 0.00 -0.26 0.00 0.00 64.21 68.03 3d95 n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3d95 h GLU 90 N 0.00 0.55 -0.22 4.33 4.81 -2.02 -2.94 114.58 119.09 3d95 h GLU 90 Ca -0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3d95 h GLU 90 Cb 1.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3d95 h GLU 90 CO 0.38 0.36 0.00 0.09 -0.73 0.00 0.00 179.01 179.11 3d95 n ASN 91 N -4.51 2.52 -3.73 1.04 3.02 -1.26 -4.27 115.26 108.08 3d95 n ASN 91 Ca 0.15 -1.84 -0.16 0.00 -0.03 0.00 0.00 54.58 52.70 3d95 n ASN 91 Cb 0.45 -0.15 -0.16 0.00 -0.61 0.00 0.00 39.78 39.32 3d95 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3d95 s LYS 92 N -0.94 0.02 0.11 3.52 2.20 -1.11 -1.43 119.74 122.11 3d95 s LYS 92 Ca 0.17 0.36 0.06 0.00 -0.36 0.00 0.00 55.97 56.21 3d95 s LYS 92 Cb 0.10 -0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 3d95 s LYS 92 CO 0.13 -0.22 -0.06 0.00 -0.36 0.00 0.00 175.35 174.84 3d95 s MET 93 N 1.51 2.29 -0.03 4.03 0.23 -0.04 -0.82 119.30 126.46 3d95 s MET 93 Ca -0.05 -0.98 0.03 0.00 -1.03 0.00 0.00 55.69 53.66 3d95 s MET 93 Cb -0.12 -2.38 0.00 0.00 -1.53 0.00 0.00 34.83 30.80 3d95 s MET 93 CO -0.05 0.51 -0.10 0.08 -2.03 0.00 0.00 175.02 173.43 3d95 s VAL 94 N -1.32 0.87 -0.16 5.16 1.01 -0.09 -1.61 120.40 124.25 3d95 s VAL 94 Ca 0.24 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3d95 s VAL 94 Cb -0.11 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.51 3d95 s VAL 94 CO 0.16 0.27 -0.19 0.00 0.00 0.00 0.00 175.10 175.34 3d95 s GLU 96 N 1.05 3.65 -0.01 0.00 8.01 -0.52 -2.20 118.70 128.69 3d95 s GLU 96 Ca -0.01 -0.04 0.07 0.00 0.01 0.00 0.00 54.97 55.00 3d95 s GLU 96 Cb -0.14 -3.23 -0.03 0.00 -4.31 0.00 0.00 34.13 26.42 3d95 s GLU 96 CO -0.06 0.68 -0.21 -0.65 0.01 0.00 0.00 175.26 175.03 3d95 s GLN 97 N -0.79 2.19 -0.10 1.61 -0.21 -1.16 -1.65 119.66 119.55 3d95 s GLN 97 Ca 0.16 -0.89 -0.00 0.00 0.02 0.00 0.00 55.36 54.65 3d95 s GLN 97 Cb -0.13 -2.17 0.02 0.00 1.00 0.00 0.00 33.01 31.73 3d95 s GLN 97 CO 0.05 0.57 -0.06 0.15 -2.12 0.00 0.00 175.29 173.88 3d95 s LYS 98 N -0.89 1.32 0.40 2.91 3.01 0.23 -4.62 119.74 122.10 3d95 s LYS 98 Ca 0.12 -0.18 -0.27 0.00 -1.01 0.00 0.00 55.97 54.63 3d95 s LYS 98 Cb -0.10 -1.41 -0.10 0.00 -1.01 0.00 0.00 37.83 35.20 3d95 s LYS 98 CO 0.01 -0.25 1.40 1.28 0.51 0.00 0.00 175.35 178.30 3d95 n LEU 99 N 4.86 4.54 0.01 3.17 4.77 -1.26 -0.06 117.00 133.03 3d95 n LEU 99 Ca -0.13 1.17 -0.05 0.00 -0.03 0.00 0.00 56.01 56.97 3d95 n LEU 99 Cb 0.50 -1.57 0.17 0.00 -2.33 0.00 0.00 43.42 40.19 3d95 n LEU 99 CO 0.16 -0.21 0.68 -0.07 -1.33 0.00 0.00 177.39 176.62 3d95 h LEU 100 N 2.50 0.51 -7.77 2.23 3.38 -1.59 -3.44 115.31 111.12 3d95 h LEU 100 Ca -0.49 -0.19 -0.34 0.00 0.09 0.00 0.00 57.88 56.94 3d95 h LEU 100 Cb 1.27 -0.14 -0.31 0.00 0.09 0.00 0.00 40.66 41.57 3d95 h LEU 100 CO 0.62 0.80 -0.75 -0.54 0.09 0.00 0.00 178.44 178.65 3d95 s LYS 101 N -4.38 0.44 1.57 1.13 1.02 -1.26 -5.08 119.74 113.18 3d95 s LYS 101 Ca -0.07 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.84 3d95 s LYS 101 Cb 0.13 -0.49 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 3d95 s LYS 101 CO 0.80 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.63 3d95 n GLY 102 N 3.54 -1.71 3.23 -3.33 0.00 -1.26 -4.97 105.19 100.68 3d95 n GLY 102 Ca -0.20 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 3d95 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d95 s GLU 103 N 0.00 1.06 -0.07 1.61 2.02 -1.26 -4.80 118.70 117.26 3d95 s GLU 103 Ca 0.00 -1.49 -0.24 0.00 0.02 0.00 0.00 54.97 53.26 3d95 s GLU 103 Cb 0.00 -0.27 0.08 0.00 0.10 0.00 0.00 34.13 34.04 3d95 s GLU 103 CO 0.00 -0.10 1.08 0.41 0.02 0.00 0.00 175.26 176.67 3d95 n GLY 104 N -0.20 0.16 3.65 -1.39 0.00 -1.26 -5.11 105.19 101.05 3d95 n GLY 104 Ca -0.08 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 3d95 n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d95 n PRO 105 N -0.78 0.39 -2.38 1.61 -0.02 -1.26 -4.94 135.00 127.62 3d95 n PRO 105 Ca 0.05 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 3d95 n PRO 105 Cb 0.46 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3d95 n PRO 105 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3d95 s LYS 106 N -3.70 3.84 0.12 -0.52 0.00 -1.26 -4.88 119.74 113.34 3d95 s LYS 106 Ca 0.74 1.22 0.08 0.00 0.00 0.00 0.00 55.97 58.01 3d95 s LYS 106 Cb -0.32 -3.92 -0.04 0.00 0.00 0.00 0.00 37.83 33.55 3d95 s LYS 106 CO 0.50 -1.22 -0.12 0.95 0.00 0.00 0.00 175.35 175.45 3d95 s THR 107 N 4.65 3.20 0.24 3.79 -4.23 -1.26 -0.97 115.64 121.06 3d95 s THR 107 Ca 0.59 -1.38 -0.20 0.00 -1.18 0.00 0.00 61.69 59.51 3d95 s THR 107 Cb -0.17 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.21 3d95 s THR 107 CO 0.25 0.08 0.66 -0.94 -0.54 0.00 0.00 174.62 174.13 3d95 s SER 108 N -2.26 -0.31 0.11 3.99 1.04 -0.82 -2.99 113.70 112.45 3d95 s SER 108 Ca 0.21 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.08 3d95 s SER 108 Cb -0.11 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 3d95 s SER 108 CO 0.13 -1.22 0.19 -1.66 0.98 0.00 0.00 173.24 171.65 3d95 s TRP 109 N -3.89 0.32 0.04 5.02 1.48 -0.93 -1.37 118.94 119.61 3d95 s TRP 109 Ca 0.09 -0.73 0.01 0.00 -1.06 0.00 0.00 56.10 54.40 3d95 s TRP 109 Cb -0.04 -0.12 -0.03 0.00 -1.16 0.00 0.00 33.47 32.12 3d95 s TRP 109 CO 0.02 -0.58 -0.05 0.95 -4.06 0.00 0.00 176.95 173.23 3d95 s THR 110 N -3.91 0.30 -0.03 0.66 -4.23 -0.06 -0.33 115.64 108.03 3d95 s THR 110 Ca 0.10 -1.25 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 3d95 s THR 110 Cb 0.05 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 73.15 3d95 s THR 110 CO -0.06 -0.61 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.58 3d95 s LEU 111 N -1.96 1.59 -0.02 4.79 1.43 -0.63 -1.63 118.68 122.25 3d95 s LEU 111 Ca -0.07 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3d95 s LEU 111 Cb -0.05 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.74 3d95 s LEU 111 CO -0.03 0.00 -0.00 -0.70 0.23 0.00 0.00 176.35 175.85 3d95 s GLU 112 N 0.51 0.25 -0.21 1.70 2.12 -0.04 -0.87 118.70 122.17 3d95 s GLU 112 Ca -0.07 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.21 3d95 s GLU 112 Cb -0.11 -0.38 -0.05 0.00 0.26 0.00 0.00 34.13 33.85 3d95 s GLU 112 CO 0.00 -0.09 0.11 -1.17 -0.54 0.00 0.00 175.26 173.58 3d95 s LEU 113 N 0.72 4.00 0.48 2.70 2.96 -0.51 -0.67 118.68 128.36 3d95 s LEU 113 Ca -0.07 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3d95 s LEU 113 Cb -0.10 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.56 3d95 s LEU 113 CO -0.01 0.13 0.69 0.42 -1.32 0.00 0.00 176.35 176.26 3d95 s THR 114 N 0.63 3.43 0.41 3.68 -4.23 -0.06 -4.88 115.64 114.63 3d95 s THR 114 Ca 0.06 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 60.03 3d95 s THR 114 Cb -0.12 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.69 3d95 s THR 114 CO 0.01 -0.17 2.02 -1.13 -0.54 0.00 0.00 174.62 174.81 3d95 h ASN 115 N 0.32 0.36 -0.24 3.99 -1.24 -1.99 -0.96 115.58 115.82 3d95 h ASN 115 Ca -0.44 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.54 3d95 h ASN 115 Cb 1.27 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.23 3d95 h ASN 115 CO 0.54 0.33 0.00 -0.90 -1.29 0.00 0.00 177.43 176.11 3d95 n ASP 116 N -4.42 1.43 0.00 1.15 5.75 -1.26 -4.91 116.55 114.29 3d95 n ASP 116 Ca 0.01 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3d95 n ASP 116 Cb 0.13 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3d95 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d95 n GLY 117 N 0.97 0.60 3.83 6.12 0.00 -0.36 -5.06 105.19 111.28 3d95 n GLY 117 Ca 0.11 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3d95 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d95 s GLU 118 N -1.05 4.16 -0.22 1.61 2.02 -1.26 -4.44 118.70 119.52 3d95 s GLU 118 Ca 0.00 0.93 -0.04 0.00 0.02 0.00 0.00 54.97 55.88 3d95 s GLU 118 Cb 0.00 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 31.86 3d95 s GLU 118 CO 0.00 0.09 -0.03 -1.17 0.02 0.00 0.00 175.26 174.17 3d95 s LEU 119 N -2.97 2.99 -0.20 1.80 2.96 -0.17 -0.88 118.68 122.21 3d95 s LEU 119 Ca 0.57 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 3d95 s LEU 119 Cb -0.10 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3d95 s LEU 119 CO 0.16 -0.01 0.07 -0.63 -1.32 0.00 0.00 176.35 174.63 3d95 s ILE 120 N 1.40 4.73 -0.11 6.68 1.01 0.15 -0.59 121.20 134.48 3d95 s ILE 120 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 3d95 s ILE 120 Cb -0.14 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 3d95 s ILE 120 CO -0.02 0.42 -0.06 -0.70 0.00 0.00 0.00 174.94 174.58 3d95 s GLU 121 N 0.76 3.15 0.15 2.79 2.12 0.32 -0.86 118.70 127.12 3d95 s GLU 121 Ca 0.04 -0.54 0.11 0.00 0.36 0.00 0.00 54.97 54.94 3d95 s GLU 121 Cb -0.13 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 3d95 s GLU 121 CO 0.02 0.48 -0.26 0.95 -0.54 0.00 0.00 175.26 175.91 3d95 s THR 122 N -0.31 2.30 -0.03 -1.70 -4.23 -0.65 -0.83 115.64 110.19 3d95 s THR 122 Ca 0.05 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 3d95 s THR 122 Cb -0.13 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.68 3d95 s THR 122 CO 0.02 0.02 -0.04 -0.04 -0.54 0.00 0.00 174.62 174.04 3d95 s MET 123 N -2.26 0.65 0.03 3.99 -1.94 -0.09 -0.88 119.30 118.80 3d95 s MET 123 Ca 0.16 -0.11 0.06 0.00 -1.71 0.00 0.00 55.69 54.09 3d95 s MET 123 Cb -0.09 -0.67 -0.02 0.00 2.01 0.00 0.00 34.83 36.05 3d95 s MET 123 CO 0.07 -0.02 -0.17 0.99 -0.01 0.00 0.00 175.02 175.88 3d95 s THR 124 N 0.60 1.35 -0.17 2.05 2.01 -0.47 -0.59 115.64 120.42 3d95 s THR 124 Ca -0.07 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 3d95 s THR 124 Cb -0.11 -1.18 0.05 0.00 0.01 0.00 0.00 72.50 71.27 3d95 s THR 124 CO -0.00 0.16 -0.02 0.00 -0.69 0.00 0.00 174.62 174.07 3d95 s ALA 125 N -0.72 1.29 0.00 7.40 0.00 -0.37 -1.95 121.76 127.40 3d95 s ALA 125 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3d95 s ALA 125 Cb -0.08 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.90 3d95 s ALA 125 CO 0.01 -0.94 0.00 -0.25 0.00 0.00 0.00 175.76 174.58 3d95 n ASP 126 N 4.94 0.00 -1.61 0.00 8.00 -0.14 -1.40 116.55 126.33 3d95 n ASP 126 Ca -0.10 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.49 3d95 n ASP 126 Cb 0.47 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.94 3d95 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3d95 n ASP 127 N 7.06 4.79 -4.40 -2.24 5.75 -1.26 -4.91 116.55 121.34 3d95 n ASP 127 Ca 0.00 -2.43 -0.34 0.00 -0.01 0.00 0.00 54.79 52.01 3d95 n ASP 127 Cb 0.00 -0.58 -0.13 0.00 -1.03 0.00 0.00 41.12 39.37 3d95 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d95 s VAL 128 N -1.82 3.49 -0.08 2.12 1.01 -0.49 -5.11 120.40 119.51 3d95 s VAL 128 Ca 0.52 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3d95 s VAL 128 Cb 0.33 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3d95 s VAL 128 CO 0.25 0.48 -0.23 -0.69 0.00 0.00 0.00 175.10 174.91 3d95 s VAL 129 N 0.76 2.24 -0.09 2.92 1.01 -1.26 -1.24 120.40 124.73 3d95 s VAL 129 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3d95 s VAL 129 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3d95 s VAL 129 CO 0.02 0.56 -0.09 0.00 0.00 0.00 0.00 175.10 175.60 3d95 s THR 131 N -0.35 2.06 0.07 0.00 2.01 -0.75 -0.91 115.64 117.77 3d95 s THR 131 Ca 0.05 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 61.04 3d95 s THR 131 Cb -0.12 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3d95 s THR 131 CO 0.02 0.57 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.81 3d95 s LYS 132 N -0.22 1.02 -0.02 4.92 1.02 -0.01 -0.57 119.74 125.88 3d95 s LYS 132 Ca -0.02 -0.96 0.04 0.00 0.02 0.00 0.00 55.97 55.06 3d95 s LYS 132 Cb -0.13 -1.12 -0.01 0.00 -0.52 0.00 0.00 37.83 36.05 3d95 s LYS 132 CO 0.03 0.27 -0.15 0.08 -0.92 0.00 0.00 175.35 174.66 3d95 s VAL 133 N -1.05 1.19 0.15 3.17 1.01 -0.13 -0.52 120.40 124.21 3d95 s VAL 133 Ca 0.03 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3d95 s VAL 133 Cb -0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3d95 s VAL 133 CO 0.02 0.34 -0.14 -0.36 0.00 0.00 0.00 175.10 174.97 3d95 s PHE 134 N -0.23 1.50 0.18 5.22 0.40 0.25 -0.15 117.98 125.14 3d95 s PHE 134 Ca 0.03 -0.60 0.08 0.00 -0.60 0.00 0.00 56.93 55.84 3d95 s PHE 134 Cb -0.07 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 3d95 s PHE 134 CO 0.00 0.21 -0.15 0.14 0.70 0.00 0.00 175.22 176.12 3d95 s VAL 135 N -2.62 1.68 0.35 -0.44 -7.23 -0.33 -1.00 120.40 110.80 3d95 s VAL 135 Ca 0.15 -2.08 -0.27 0.00 -1.81 0.00 0.00 61.98 57.97 3d95 s VAL 135 Cb -0.02 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.90 3d95 s VAL 135 CO 0.04 -0.52 1.14 -0.13 -0.31 0.00 0.00 175.10 175.32 3d95 s ARG 136 N -3.34 4.32 0.00 4.82 0.52 -1.26 -0.46 118.95 123.56 3d95 s ARG 136 Ca 0.19 1.83 0.31 0.00 -0.52 0.00 0.00 55.73 57.54 3d95 s ARG 136 Cb -0.02 -2.90 1.86 0.00 0.52 0.00 0.00 34.95 34.41 3d95 s ARG 136 CO 0.06 -0.08 2.18 0.39 0.02 0.00 0.00 175.30 177.87