#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jss n SER 25 N 0.00 1.75 0.15 0.00 3.41 -1.26 -2.96 113.62 114.71 1jss n SER 25 Ca 0.00 -1.88 0.09 0.00 -0.26 0.00 0.00 58.87 56.82 1jss n SER 25 Cb 0.00 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 63.54 1jss n SER 25 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1jss h ILE 26 N 0.03 0.17 -0.25 -1.33 2.04 -2.05 -3.29 117.51 112.83 1jss h ILE 26 Ca 0.00 -1.28 -0.18 0.00 1.00 0.00 0.00 64.86 64.40 1jss h ILE 26 Cb 0.67 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1jss h ILE 26 CO 0.00 0.10 -0.56 0.77 0.00 0.00 0.00 178.15 178.46 1jss h SER 27 N 0.00 0.85 -0.53 1.72 4.64 -1.96 0.47 113.55 118.73 1jss h SER 27 Ca -0.02 -0.46 -0.12 0.00 -0.47 0.00 0.00 61.79 60.72 1jss h SER 27 Cb 1.12 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1jss h SER 27 CO 0.01 1.24 -0.13 0.74 -0.87 0.00 0.00 176.83 177.82 1jss h THR 28 N 0.58 1.27 -0.24 2.95 2.02 -1.82 -1.12 112.91 116.54 1jss h THR 28 Ca 0.01 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 1jss h THR 28 Cb 1.15 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1jss h THR 28 CO 0.12 0.45 -0.03 0.11 0.37 0.00 0.00 175.52 176.54 1jss h LYS 29 N 0.91 0.45 -0.43 6.66 1.57 -1.60 -1.82 116.57 122.31 1jss h LYS 29 Ca 0.14 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jss h LYS 29 Cb 0.70 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1jss h LYS 29 CO 0.05 0.66 0.28 1.25 -0.57 0.00 0.00 179.45 181.12 1jss h LEU 30 N 0.21 0.47 -0.31 2.94 6.46 -0.82 -0.57 115.31 123.68 1jss h LEU 30 Ca 0.06 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1jss h LEU 30 Cb 0.47 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 1jss h LEU 30 CO 0.02 0.34 0.06 -0.61 -0.62 0.00 0.00 178.44 177.62 1jss h GLN 31 N 0.56 0.16 -0.66 1.25 4.15 -1.11 -1.27 115.11 118.19 1jss h GLN 31 Ca 0.16 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 1jss h GLN 31 Cb -0.04 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1jss h GLN 31 CO -0.05 0.11 0.15 -0.91 -1.93 0.00 0.00 178.83 176.20 1jss h ASN 32 N 0.16 1.02 -0.13 -0.69 2.35 -1.01 -1.18 115.58 116.11 1jss h ASN 32 Ca 0.15 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1jss h ASN 32 Cb 0.16 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1jss h ASN 32 CO -0.20 0.99 -0.07 0.74 -1.65 0.00 0.00 177.43 177.25 1jss h THR 33 N 0.99 0.78 -0.81 2.81 2.02 -0.63 -0.24 112.91 117.83 1jss h THR 33 Ca 0.21 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 1jss h THR 33 Cb 0.38 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1jss h THR 33 CO 0.00 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.19 1jss h LEU 34 N -0.06 1.08 -1.44 2.58 4.07 -1.02 -0.57 115.31 119.95 1jss h LEU 34 Ca 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1jss h LEU 34 Cb 0.17 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1jss h LEU 34 CO -0.17 0.93 0.36 0.40 -1.08 0.00 0.00 178.44 178.88 1jss h ILE 35 N 1.16 1.15 -0.05 1.22 2.04 -0.83 0.11 117.51 122.31 1jss h ILE 35 Ca 0.27 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1jss h ILE 35 Cb 0.15 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1jss h ILE 35 CO -0.03 0.14 0.02 -0.61 0.00 0.00 0.00 178.15 177.67 1jss h GLN 36 N 0.76 0.07 -0.75 2.37 5.75 0.13 -2.32 115.11 121.12 1jss h GLN 36 Ca 0.20 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.74 1jss h GLN 36 Cb -0.08 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 1jss h GLN 36 CO -0.04 0.23 0.49 1.88 -2.65 0.00 0.00 178.83 178.75 1jss h TYR 37 N -0.10 0.85 0.00 3.99 0.05 -0.35 0.17 116.97 121.58 1jss h TYR 37 Ca 0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1jss h TYR 37 Cb 0.19 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1jss h TYR 37 CO -0.01 0.47 0.00 1.58 -1.05 0.00 0.00 178.16 179.15 1jss n HIS 38 N -4.47 0.00 0.71 4.88 -0.00 -0.05 -1.76 115.22 114.53 1jss n HIS 38 Ca 0.10 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.35 1jss n HIS 38 Cb 0.17 -0.16 -0.07 0.00 -0.12 0.00 0.00 29.99 29.81 1jss n HIS 38 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1jss n SER 39 N -1.16 0.84 -4.68 0.26 3.41 0.03 -4.97 113.62 107.36 1jss n SER 39 Ca 0.11 -0.92 -0.48 0.00 -0.26 0.00 0.00 58.87 57.32 1jss n SER 39 Cb 0.11 0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 64.93 1jss n SER 39 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1jss n ILE 40 N -1.17 0.38 -1.54 -1.33 5.41 -0.72 -4.83 119.36 115.56 1jss n ILE 40 Ca 0.03 -0.07 -0.51 0.00 1.00 0.00 0.00 62.75 63.20 1jss n ILE 40 Cb 0.25 -1.70 -0.05 0.00 -0.71 0.00 0.00 39.64 37.42 1jss n ILE 40 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1jss n GLU 41 N 5.53 0.78 0.33 0.38 2.13 -1.26 -4.82 120.64 123.70 1jss n GLU 41 Ca 0.21 0.28 0.09 0.00 0.66 0.00 0.00 57.16 58.40 1jss n GLU 41 Cb 0.28 -1.73 0.47 0.00 0.27 0.00 0.00 31.44 30.72 1jss n GLU 41 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1jss h GLU 42 N 3.15 0.00 -0.19 5.31 4.81 -1.99 0.31 114.58 125.98 1jss h GLU 42 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1jss h GLU 42 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1jss h GLU 42 CO 0.68 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.49 1jss n ASP 43 N -2.72 2.97 -0.06 1.04 -0.08 -1.26 -4.19 116.55 112.26 1jss n ASP 43 Ca -0.01 -1.89 0.13 0.00 -1.51 0.00 0.00 54.79 51.50 1jss n ASP 43 Cb 0.64 -0.11 0.36 0.00 2.34 0.00 0.00 41.12 44.36 1jss n ASP 43 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1jss n GLU 44 N 1.21 0.24 -3.77 -0.67 2.13 0.10 -4.87 120.64 115.01 1jss n GLU 44 Ca 0.14 -0.12 -0.35 0.00 0.66 0.00 0.00 57.16 57.49 1jss n GLU 44 Cb 0.53 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.69 1jss n GLU 44 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1jss s TRP 45 N -2.85 3.59 -0.15 4.31 0.52 -1.26 -4.77 118.94 118.33 1jss s TRP 45 Ca 0.16 0.59 -0.03 0.00 0.02 0.00 0.00 56.10 56.84 1jss s TRP 45 Cb 0.18 -2.00 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1jss s TRP 45 CO 0.62 0.64 -0.06 1.03 0.02 0.00 0.00 176.95 179.19 1jss s ARG 46 N -1.58 3.56 0.26 4.98 3.00 -0.55 -4.90 118.95 123.72 1jss s ARG 46 Ca 0.25 -0.58 -0.31 0.00 0.00 0.00 0.00 55.73 55.09 1jss s ARG 46 Cb -0.13 -2.84 -0.13 0.00 0.00 0.00 0.00 34.95 31.85 1jss s ARG 46 CO 0.14 0.19 1.44 0.28 0.00 0.00 0.00 175.30 177.35 1jss n VAL 47 N 3.66 1.04 -0.02 3.52 0.31 -1.26 -1.02 118.33 124.55 1jss n VAL 47 Ca -0.18 -0.26 -0.01 0.00 -0.01 0.00 0.00 64.34 63.88 1jss n VAL 47 Cb 0.52 -1.59 -0.06 0.00 -0.91 0.00 0.00 33.84 31.81 1jss n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jss n ALA 48 N 1.84 1.98 -3.64 3.52 0.00 0.23 -4.83 120.51 119.61 1jss n ALA 48 Ca 0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 1jss n ALA 48 Cb 0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 1jss n ALA 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jss s LYS 49 N -2.29 0.25 -0.18 0.00 2.20 -0.91 -4.98 119.74 113.84 1jss s LYS 49 Ca -0.03 0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1jss s LYS 49 Cb 0.03 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1jss s LYS 49 CO 0.29 -0.04 -0.15 0.15 -0.36 0.00 0.00 175.35 175.25 1jss s LYS 50 N -0.00 3.16 0.42 4.03 1.02 -1.26 -0.74 119.74 126.36 1jss s LYS 50 Ca 0.05 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.36 1jss s LYS 50 Cb -0.05 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1jss s LYS 50 CO -0.11 -0.13 0.16 0.00 -0.92 0.00 0.00 175.35 174.35 1jss s ALA 51 N 1.17 3.54 0.17 5.17 0.00 0.11 -5.02 121.76 126.90 1jss s ALA 51 Ca 0.01 -2.11 -0.25 0.00 0.00 0.00 0.00 51.96 49.62 1jss s ALA 51 Cb -0.14 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1jss s ALA 51 CO -0.06 -0.16 1.57 -0.22 0.00 0.00 0.00 175.76 176.88 1jss h LYS 52 N 1.47 -0.19 -0.09 0.00 3.64 -2.00 -3.04 116.57 116.36 1jss h LYS 52 Ca -0.43 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.85 1jss h LYS 52 Cb 1.25 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 32.94 1jss h LYS 52 CO 0.72 -0.13 -0.72 -0.25 -2.27 0.00 0.00 179.45 176.79 1jss n ASP 53 N -5.40 1.78 -3.75 4.20 8.00 -1.26 -5.03 116.55 115.08 1jss n ASP 53 Ca 0.02 -3.22 -0.13 0.00 0.71 0.00 0.00 54.79 52.17 1jss n ASP 53 Cb 0.35 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.90 1jss n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jss s VAL 54 N -2.41 -0.01 -0.05 2.53 1.01 -1.15 -4.08 120.40 116.25 1jss s VAL 54 Ca 0.37 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1jss s VAL 54 Cb 0.38 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 36.29 1jss s VAL 54 CO -0.09 0.01 -0.20 -0.89 0.00 0.00 0.00 175.10 173.93 1jss s THR 55 N 0.41 1.63 -0.10 3.92 2.01 -0.81 0.08 115.64 122.77 1jss s THR 55 Ca -0.02 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1jss s THR 55 Cb -0.04 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 1jss s THR 55 CO -0.02 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.47 1jss s VAL 56 N 0.01 2.27 0.37 3.82 1.01 0.08 -1.94 120.40 126.01 1jss s VAL 56 Ca -0.05 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1jss s VAL 56 Cb -0.13 -1.88 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 1jss s VAL 56 CO 0.03 0.55 0.03 0.26 0.00 0.00 0.00 175.10 175.97 1jss s TRP 57 N 0.30 2.27 0.14 5.22 0.51 0.12 0.74 118.94 128.23 1jss s TRP 57 Ca -0.16 -0.80 -0.16 0.00 -2.12 0.00 0.00 56.10 52.86 1jss s TRP 57 Cb -0.17 -1.56 0.03 0.00 -0.81 0.00 0.00 33.47 30.96 1jss s TRP 57 CO 0.08 0.25 0.42 -0.98 -0.51 0.00 0.00 176.95 176.21 1jss s ARG 58 N -3.79 1.13 0.00 4.98 1.70 -0.19 -0.58 118.95 122.20 1jss s ARG 58 Ca 0.35 -0.75 -0.23 0.00 -0.47 0.00 0.00 55.73 54.63 1jss s ARG 58 Cb 0.09 0.48 0.05 0.00 -0.57 0.00 0.00 34.95 35.00 1jss s ARG 58 CO 0.17 -0.45 0.52 -1.59 -1.08 0.00 0.00 175.30 172.86 1jss s LYS 59 N -3.82 0.96 0.26 3.89 -2.85 -0.85 -1.48 119.74 115.85 1jss s LYS 59 Ca 0.05 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.63 1jss s LYS 59 Cb 0.01 0.44 -0.14 0.00 -2.06 0.00 0.00 37.83 36.09 1jss s LYS 59 CO -0.10 -0.32 1.25 -2.30 0.10 0.00 0.00 175.35 173.99 1jss n PRO 60 N 0.74 1.77 -2.89 1.78 -0.02 -1.26 -1.26 135.00 133.86 1jss n PRO 60 Ca -0.19 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 1jss n PRO 60 Cb 0.58 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1jss n PRO 60 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jss s SER 61 N -0.08 7.13 -0.25 2.55 0.15 0.84 -4.64 113.70 119.40 1jss s SER 61 Ca 0.64 1.66 0.13 0.00 0.70 0.00 0.00 55.95 59.08 1jss s SER 61 Cb -0.67 -2.52 0.73 0.00 -1.71 0.00 0.00 66.02 61.85 1jss s SER 61 CO 0.55 -0.13 1.69 -0.62 1.20 0.00 0.00 173.24 175.93 1jss n GLU 62 N 0.22 4.06 0.00 5.44 1.02 -1.26 -4.31 120.64 125.81 1jss n GLU 62 Ca 0.02 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1jss n GLU 62 Cb 0.51 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1jss n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jss n GLU 63 N 0.10 2.68 -3.84 3.49 -0.58 -1.26 -5.12 120.64 116.11 1jss n GLU 63 Ca 0.30 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.99 1jss n GLU 63 Cb 1.19 -0.97 0.01 0.00 -0.57 0.00 0.00 31.44 31.10 1jss n GLU 63 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1jss s PHE 64 N -1.92 0.05 -1.12 -0.32 -0.12 -1.26 -5.05 117.98 108.23 1jss s PHE 64 Ca 0.00 -0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 56.18 1jss s PHE 64 Cb 0.00 0.75 -0.07 0.00 -0.63 0.00 0.00 43.02 43.07 1jss s PHE 64 CO 0.00 -1.20 2.20 0.09 -0.05 0.00 0.00 175.22 176.26 1jss n ASN 65 N -1.15 4.34 0.00 1.98 3.02 -1.26 -4.46 115.26 117.73 1jss n ASN 65 Ca -0.06 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.86 1jss n ASN 65 Cb 0.60 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1jss n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jss n GLY 66 N 4.10 2.09 3.64 7.41 0.00 -1.26 -5.07 105.19 116.10 1jss n GLY 66 Ca 0.53 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1jss n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jss s TYR 67 N -2.37 2.69 -0.20 1.61 1.51 -1.26 -0.11 117.35 119.21 1jss s TYR 67 Ca 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1jss s TYR 67 Cb 0.00 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 1jss s TYR 67 CO 0.00 0.62 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.83 1jss s LEU 68 N -3.67 2.87 0.12 -1.29 2.96 -0.39 -4.50 118.68 114.78 1jss s LEU 68 Ca 0.31 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1jss s LEU 68 Cb -0.06 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1jss s LEU 68 CO 0.20 0.02 0.27 -0.31 -1.32 0.00 0.00 176.35 175.21 1jss s TYR 69 N 1.23 3.50 -0.04 5.38 1.51 0.11 -2.00 117.35 127.04 1jss s TYR 69 Ca 0.03 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.33 1jss s TYR 69 Cb -0.14 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 1jss s TYR 69 CO -0.02 0.53 -0.13 0.21 -1.11 0.00 0.00 175.55 175.03 1jss s LYS 70 N -2.94 1.36 0.04 -0.62 2.20 0.25 -1.94 119.74 118.09 1jss s LYS 70 Ca 0.35 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1jss s LYS 70 Cb -0.12 -1.21 -0.02 0.00 -1.51 0.00 0.00 37.83 34.97 1jss s LYS 70 CO 0.28 0.17 -0.09 0.00 -0.36 0.00 0.00 175.35 175.34 1jss s ALA 71 N 0.15 0.74 -0.14 3.13 0.00 -0.48 0.10 121.76 125.26 1jss s ALA 71 Ca -0.04 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1jss s ALA 71 Cb -0.10 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1jss s ALA 71 CO 0.01 0.06 0.47 -1.14 0.00 0.00 0.00 175.76 175.16 1jss s GLN 72 N -1.38 0.63 -0.17 0.00 0.74 -0.82 -0.65 119.66 118.02 1jss s GLN 72 Ca -0.06 0.47 -0.32 0.00 0.05 0.00 0.00 55.36 55.50 1jss s GLN 72 Cb -0.09 0.30 0.14 0.00 1.10 0.00 0.00 33.01 34.46 1jss s GLN 72 CO 0.01 -0.12 1.14 0.20 -0.55 0.00 0.00 175.29 175.97 1jss s GLY 73 N -0.19 -0.26 0.18 2.59 0.00 -1.00 -1.93 107.32 106.71 1jss s GLY 73 Ca -0.04 1.77 -0.17 0.00 0.00 0.00 0.00 44.72 46.28 1jss s GLY 73 CO 0.02 0.68 0.63 0.14 0.00 0.00 0.00 173.10 174.58 1jss s VAL 74 N -2.08 4.71 -0.02 1.40 1.01 -1.26 -1.45 120.40 122.72 1jss s VAL 74 Ca 0.06 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.19 1jss s VAL 74 Cb -0.01 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1jss s VAL 74 CO -0.05 0.24 -0.26 -0.04 0.00 0.00 0.00 175.10 175.00 1jss s MET 75 N -1.92 2.08 -1.34 2.72 -1.94 -0.05 -4.94 119.30 113.91 1jss s MET 75 Ca 0.40 -0.93 -0.07 0.00 -1.71 0.00 0.00 55.69 53.38 1jss s MET 75 Cb -0.16 -2.02 0.11 0.00 2.01 0.00 0.00 34.83 34.77 1jss s MET 75 CO 0.20 0.55 2.29 -0.25 -0.01 0.00 0.00 175.02 177.80 1jss n ASP 76 N 2.43 7.16 -3.64 3.03 8.00 -1.26 -1.96 116.55 130.31 1jss n ASP 76 Ca -0.16 -3.08 -0.04 0.00 0.71 0.00 0.00 54.79 52.23 1jss n ASP 76 Cb 0.51 -1.42 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 1jss n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jss s ASP 77 N 0.73 -0.19 0.64 -2.24 -1.08 0.11 -4.89 116.67 109.76 1jss s ASP 77 Ca 0.51 -0.18 -0.11 0.00 -0.52 0.00 0.00 52.55 52.26 1jss s ASP 77 Cb 0.16 0.34 -0.02 0.00 -1.46 0.00 0.00 42.92 41.94 1jss s ASP 77 CO -0.06 -0.59 1.04 0.68 0.52 0.00 0.00 175.17 176.75 1jss s VAL 78 N -2.92 4.20 0.15 1.11 -7.23 -1.23 -2.71 120.40 111.77 1jss s VAL 78 Ca 0.10 0.65 -0.27 0.00 -1.81 0.00 0.00 61.98 60.65 1jss s VAL 78 Cb 0.00 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 1jss s VAL 78 CO -0.03 -0.90 1.58 0.58 -0.31 0.00 0.00 175.10 176.02 1jss h VAL 79 N -0.42 0.14 -0.79 1.32 2.07 -1.91 -2.57 116.25 114.09 1jss h VAL 79 Ca -0.45 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.25 1jss h VAL 79 Cb 1.22 0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 31.01 1jss h VAL 79 CO 0.63 0.00 0.23 0.78 0.02 0.00 0.00 177.57 179.22 1jss h ASN 80 N -0.37 0.07 0.07 0.57 -0.26 -1.96 -1.48 115.58 112.21 1jss h ASN 80 Ca 0.12 0.15 -0.17 0.00 -0.56 0.00 0.00 56.30 55.85 1jss h ASN 80 Cb 0.59 0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.04 1jss h ASN 80 CO -0.51 -0.04 -0.59 -1.13 -1.06 0.00 0.00 177.43 174.10 1jss h ASN 81 N 0.29 0.60 -0.19 5.81 -0.00 -1.87 -1.72 115.58 118.50 1jss h ASN 81 Ca 0.46 -0.33 -0.04 0.00 -0.00 0.00 0.00 56.30 56.39 1jss h ASN 81 Cb 0.82 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.96 1jss h ASN 81 CO -0.53 1.05 -0.03 0.58 -0.00 0.00 0.00 177.43 178.50 1jss h VAL 82 N 0.40 1.27 -0.04 2.57 2.07 -0.99 -3.00 116.25 118.53 1jss h VAL 82 Ca -0.00 -0.96 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 1jss h VAL 82 Cb 1.14 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1jss h VAL 82 CO 0.11 0.29 -0.68 0.40 0.02 0.00 0.00 177.57 177.71 1jss h ILE 83 N 0.08 1.43 0.00 4.57 1.08 -1.33 -2.74 117.51 120.59 1jss h ILE 83 Ca 0.05 -2.18 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 1jss h ILE 83 Cb 0.45 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1jss h ILE 83 CO 0.02 0.64 0.00 0.44 -0.69 0.00 0.00 178.15 178.55 1jss h ASP 84 N 0.12 0.00 0.84 1.72 3.32 -1.34 -2.18 116.42 118.90 1jss h ASP 84 Ca -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1jss h ASP 84 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1jss h ASP 84 CO 0.10 0.00 -1.22 0.45 -1.72 0.00 0.00 179.24 176.85 1jss h HIS 85 N 0.00 0.00 0.00 4.55 3.86 -1.36 -3.35 115.15 118.85 1jss h HIS 85 Ca 0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 1jss h HIS 85 Cb 0.49 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1jss h HIS 85 CO 0.00 0.33 -1.11 0.82 0.86 0.00 0.00 177.93 178.83 1jss h ILE 86 N 0.00 1.06 -3.64 2.45 2.04 -1.17 -3.43 117.51 114.81 1jss h ILE 86 Ca -0.09 -2.67 -0.49 0.00 1.00 0.00 0.00 64.86 62.62 1jss h ILE 86 Cb 1.33 2.48 0.04 0.00 -0.74 0.00 0.00 36.82 39.93 1jss h ILE 86 CO 0.03 0.60 0.15 -0.13 0.00 0.00 0.00 178.15 178.80 1jss s ARG 87 N -2.79 3.34 0.55 2.37 0.52 -0.86 -5.02 118.95 117.06 1jss s ARG 87 Ca -0.00 0.17 -0.19 0.00 -0.52 0.00 0.00 55.73 55.18 1jss s ARG 87 Cb 0.09 -2.32 -0.07 0.00 0.52 0.00 0.00 34.95 33.16 1jss s ARG 87 CO 0.80 -0.39 0.82 -0.35 0.02 0.00 0.00 175.30 176.20 1jss n PRO 88 N -2.40 0.84 -3.62 3.54 -0.04 -1.26 -4.80 135.00 127.26 1jss n PRO 88 Ca 0.02 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1jss n PRO 88 Cb 0.56 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1jss n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jss n GLY 89 N 1.44 -1.44 0.37 0.55 0.00 -1.26 -4.98 105.19 99.88 1jss n GLY 89 Ca 0.12 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1jss n GLY 89 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jss h PRO 90 N 0.00 -0.09 -0.36 1.61 0.11 -1.94 -3.05 132.00 128.28 1jss h PRO 90 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1jss h PRO 90 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1jss h PRO 90 CO 0.00 -0.06 0.00 0.91 -0.21 0.00 0.00 178.00 178.64 1jss n TRP 91 N -4.98 1.28 -0.01 0.65 7.02 -1.26 -4.67 117.44 115.46 1jss n TRP 91 Ca 0.00 -0.82 0.09 0.00 -1.02 0.00 0.00 57.50 55.75 1jss n TRP 91 Cb 0.25 -0.37 0.49 0.00 -2.42 0.00 0.00 31.31 29.26 1jss n TRP 91 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1jss h ARG 92 N 2.49 0.41 0.00 -0.99 9.65 -1.80 -0.80 114.38 123.34 1jss h ARG 92 Ca 0.00 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.76 1jss h ARG 92 Cb 1.59 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 30.06 1jss h ARG 92 CO 0.30 0.27 -1.17 -0.07 2.80 0.00 0.00 179.97 182.10 1jss h LEU 93 N 0.42 0.00 -0.97 3.80 4.07 -1.83 -3.36 115.31 117.43 1jss h LEU 93 Ca 0.20 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.23 1jss h LEU 93 Cb 0.26 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.93 1jss h LEU 93 CO -0.05 0.32 0.62 -0.78 -1.08 0.00 0.00 178.44 177.48 1jss h ASP 94 N 0.00 1.00 0.00 -0.43 3.58 -1.44 -3.30 116.42 115.82 1jss h ASP 94 Ca -0.08 0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.20 1jss h ASP 94 Cb 1.32 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 1jss h ASP 94 CO 0.03 0.63 -1.96 -2.67 -2.88 0.00 0.00 179.24 172.39 1jss n TRP 95 N -4.53 0.00 -2.34 0.28 4.27 -1.19 -4.90 117.44 109.02 1jss n TRP 95 Ca 0.15 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.36 1jss n TRP 95 Cb 0.19 -0.63 -0.03 0.00 -1.36 0.00 0.00 31.31 29.48 1jss n TRP 95 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1jss s ASP 96 N -4.55 5.86 0.66 -0.67 -1.08 -1.25 -4.76 116.67 110.89 1jss s ASP 96 Ca -0.07 0.01 0.38 0.00 -0.52 0.00 0.00 52.55 52.35 1jss s ASP 96 Cb 0.07 -2.55 2.11 0.00 -1.46 0.00 0.00 42.92 41.09 1jss s ASP 96 CO 0.66 -1.98 2.20 0.08 0.52 0.00 0.00 175.17 176.66 1jss h ARG 97 N 11.91 0.00 0.04 4.34 0.11 -1.91 -3.00 114.38 125.87 1jss h ARG 97 Ca -0.27 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.46 1jss h ARG 97 Cb 1.10 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.13 1jss h ARG 97 CO 1.23 0.00 -2.08 -0.11 0.10 0.00 0.00 179.97 179.11 1jss n LEU 98 N -3.08 1.64 -4.73 0.08 7.94 -1.26 -4.87 117.00 112.72 1jss n LEU 98 Ca -0.02 0.17 -0.41 0.00 -1.11 0.00 0.00 56.01 54.63 1jss n LEU 98 Cb 0.19 -0.36 -0.04 0.00 0.53 0.00 0.00 43.42 43.74 1jss n LEU 98 CO 0.18 0.66 0.81 -0.32 -1.11 0.00 0.00 177.39 177.61 1jss s MET 99 N -2.55 4.56 -0.00 1.96 1.75 -1.14 -1.24 119.30 122.64 1jss s MET 99 Ca -0.17 1.74 0.02 0.00 -1.25 0.00 0.00 55.69 56.03 1jss s MET 99 Cb 0.07 -3.29 -0.03 0.00 2.84 0.00 0.00 34.83 34.43 1jss s MET 99 CO 0.77 0.01 0.07 0.25 -0.65 0.00 0.00 175.02 175.47 1jss n THR 100 N 2.62 0.00 -3.53 10.11 -2.24 -0.56 -4.89 114.28 115.77 1jss n THR 100 Ca 0.04 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1jss n THR 100 Cb 0.46 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 1jss n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jss s SER 101 N -1.68 -0.49 -0.20 3.42 1.04 -1.25 -4.96 113.70 109.58 1jss s SER 101 Ca 0.00 0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 1jss s SER 101 Cb 0.02 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.66 1jss s SER 101 CO 0.09 -0.52 0.38 -0.22 0.98 0.00 0.00 173.24 173.95 1jss s LEU 102 N -1.43 -0.58 -0.03 2.42 2.96 -1.26 -2.48 118.68 118.28 1jss s LEU 102 Ca -0.04 0.75 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 1jss s LEU 102 Cb -0.00 1.18 -0.02 0.00 0.50 0.00 0.00 46.19 47.85 1jss s LEU 102 CO 0.02 -0.25 -0.24 -1.81 -1.32 0.00 0.00 176.35 172.75 1jss s ASP 103 N 2.56 2.88 -0.14 3.68 1.01 0.62 -4.99 116.67 122.29 1jss s ASP 103 Ca 0.02 -0.45 -0.16 0.00 0.71 0.00 0.00 52.55 52.66 1jss s ASP 103 Cb -0.13 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.33 1jss s ASP 103 CO -0.13 0.28 0.41 -0.69 0.21 0.00 0.00 175.17 175.26 1jss s VAL 104 N -0.47 5.23 -0.16 -1.27 1.01 -1.26 -0.48 120.40 123.00 1jss s VAL 104 Ca 0.06 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.92 1jss s VAL 104 Cb -0.10 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.38 1jss s VAL 104 CO 0.00 0.33 -0.03 0.18 0.00 0.00 0.00 175.10 175.58 1jss n LEU 105 N 3.77 1.18 -3.74 3.92 4.77 0.11 -4.96 117.00 122.06 1jss n LEU 105 Ca -0.09 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 1jss n LEU 105 Cb 0.52 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1jss n LEU 105 CO 0.42 0.53 -0.14 -1.61 -1.33 0.00 0.00 177.39 175.26 1jss s GLU 106 N -2.35 0.19 -0.21 3.23 0.41 -0.96 -5.00 118.70 114.01 1jss s GLU 106 Ca -0.14 0.49 0.02 0.00 -0.41 0.00 0.00 54.97 54.93 1jss s GLU 106 Cb 0.05 -0.11 0.04 0.00 -1.78 0.00 0.00 34.13 32.33 1jss s GLU 106 CO 0.51 -0.15 -0.14 -1.58 -0.49 0.00 0.00 175.26 173.41 1jss s HIS 107 N 1.17 2.86 0.00 1.61 2.46 -1.26 -0.51 115.29 121.62 1jss s HIS 107 Ca -0.09 -1.89 0.00 0.00 0.47 0.00 0.00 55.06 53.56 1jss s HIS 107 Cb -0.10 -1.84 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 1jss s HIS 107 CO -0.08 -0.82 0.00 1.19 -2.47 0.00 0.00 174.74 172.57 1jss n PHE 108 N 4.57 0.00 -4.66 3.88 3.01 -0.77 -5.03 117.46 118.47 1jss n PHE 108 Ca -0.17 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.00 1jss n PHE 108 Cb 0.46 -0.26 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 1jss n PHE 108 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1jss s GLU 109 N -0.95 2.02 0.41 -1.08 2.02 -1.22 -4.98 118.70 114.92 1jss s GLU 109 Ca 0.00 -2.19 0.12 0.00 0.02 0.00 0.00 54.97 52.91 1jss s GLU 109 Cb 0.00 -1.57 0.95 0.00 0.10 0.00 0.00 34.13 33.61 1jss s GLU 109 CO 0.00 -0.15 1.97 1.49 0.02 0.00 0.00 175.26 178.58 1jss h GLU 110 N 1.65 0.49 -0.68 1.61 4.81 -2.02 -2.05 114.58 118.40 1jss h GLU 110 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1jss h GLU 110 Cb 1.26 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1jss h GLU 110 CO 0.78 0.32 0.00 0.09 -0.73 0.00 0.00 179.01 179.48 1jss n ASN 111 N -4.48 3.86 -4.07 1.04 5.03 -1.26 -4.82 115.26 110.56 1jss n ASN 111 Ca 0.11 -2.00 -0.32 0.00 0.87 0.00 0.00 54.58 53.24 1jss n ASN 111 Cb 0.35 -0.45 -0.15 0.00 -1.02 0.00 0.00 39.78 38.51 1jss n ASN 111 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jss s VAL 114 N -1.96 1.87 0.32 0.00 1.01 0.34 0.11 120.40 122.08 1jss s VAL 114 Ca 0.20 -1.49 0.10 0.00 0.00 0.00 0.00 61.98 60.79 1jss s VAL 114 Cb -0.06 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 1jss s VAL 114 CO 0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 175.10 174.98 1jss s MET 115 N 1.23 1.84 -0.02 2.72 0.23 0.44 0.08 119.30 125.81 1jss s MET 115 Ca -0.06 -1.82 0.01 0.00 -1.03 0.00 0.00 55.69 52.79 1jss s MET 115 Cb -0.19 -1.79 0.01 0.00 -1.53 0.00 0.00 34.83 31.33 1jss s MET 115 CO -0.06 0.22 -0.04 0.50 -2.03 0.00 0.00 175.02 173.61 1jss s ARG 116 N -3.60 0.56 0.10 3.16 3.52 0.37 -0.33 118.95 122.72 1jss s ARG 116 Ca 0.32 -0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.72 1jss s ARG 116 Cb -0.01 -0.58 -0.01 0.00 -1.56 0.00 0.00 34.95 32.79 1jss s ARG 116 CO 0.17 0.01 0.18 1.52 -0.81 0.00 0.00 175.30 176.36 1jss s TYR 117 N 0.44 0.23 0.22 5.12 -0.85 -0.53 -0.28 117.35 121.70 1jss s TYR 117 Ca -0.05 -0.66 0.09 0.00 -0.52 0.00 0.00 57.07 55.93 1jss s TYR 117 Cb -0.09 -0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 1jss s TYR 117 CO -0.00 -0.55 -0.17 0.95 -1.52 0.00 0.00 175.55 174.25 1jss s THR 118 N -3.88 1.99 0.09 -3.49 -4.23 -1.04 -0.64 115.64 104.43 1jss s THR 118 Ca 0.07 -2.22 0.08 0.00 -1.18 0.00 0.00 61.69 58.44 1jss s THR 118 Cb 0.05 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 1jss s THR 118 CO -0.09 -0.48 -0.22 0.42 -0.54 0.00 0.00 174.62 173.71 1jss s THR 119 N -2.66 1.77 0.92 3.99 -4.23 -0.51 -1.50 115.64 113.42 1jss s THR 119 Ca 0.24 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 1jss s THR 119 Cb -0.03 -1.58 0.14 0.00 1.34 0.00 0.00 72.50 72.38 1jss s THR 119 CO 0.09 0.05 1.13 0.00 -0.54 0.00 0.00 174.62 175.35 1jss s ALA 120 N -1.03 1.65 1.23 3.99 0.00 -0.37 -2.60 121.76 124.61 1jss s ALA 120 Ca 0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1jss s ALA 120 Cb -0.10 -3.05 0.31 0.00 0.00 0.00 0.00 23.12 20.28 1jss s ALA 120 CO 0.04 -2.36 1.00 0.20 0.00 0.00 0.00 175.76 174.64 1jss s GLY 121 N -3.92 1.51 0.18 0.00 0.00 -1.26 -4.49 107.32 99.33 1jss s GLY 121 Ca 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1jss s GLY 121 CO 0.54 0.49 0.00 -1.06 0.00 0.00 0.00 173.10 173.07 1jss n GLN 122 N -5.09 0.00 -3.22 2.90 6.02 -0.15 -4.93 117.38 112.91 1jss n GLN 122 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.63 1jss n GLN 122 Cb 0.56 -0.25 -0.01 0.00 1.02 0.00 0.00 30.24 31.55 1jss n GLN 122 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jss n LEU 123 N -3.42 5.58 -3.86 1.08 4.77 -1.26 -4.62 117.00 115.28 1jss n LEU 123 Ca 0.00 -5.20 -0.27 0.00 -0.03 0.00 0.00 56.01 50.51 1jss n LEU 123 Cb 0.03 -1.22 0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1jss n LEU 123 CO 0.00 1.65 0.04 0.18 -1.33 0.00 0.00 177.39 177.93 1jss n LEU 124 N 1.70 -2.70 0.00 2.23 4.77 -1.26 -0.92 117.00 120.82 1jss n LEU 124 Ca 0.25 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1jss n LEU 124 Cb 0.36 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 38.88 1jss n LEU 124 CO 0.58 0.45 0.00 0.59 -1.33 0.00 0.00 177.39 177.68 1jss n ASN 125 N -2.91 -1.41 0.34 -1.43 5.03 -1.26 -4.85 115.26 108.76 1jss n ASN 125 Ca -0.08 0.00 0.23 0.00 0.87 0.00 0.00 54.58 55.60 1jss n ASN 125 Cb 0.58 -0.84 1.20 0.00 -1.02 0.00 0.00 39.78 39.70 1jss n ASN 125 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1jss h ILE 126 N 0.00 0.01 -3.30 2.41 2.04 -1.38 -3.34 117.51 113.94 1jss h ILE 126 Ca 0.00 -0.02 -0.56 0.00 1.00 0.00 0.00 64.86 65.28 1jss h ILE 126 Cb 0.09 1.02 -0.37 0.00 -0.74 0.00 0.00 36.82 36.82 1jss h ILE 126 CO 0.00 0.00 -0.80 -0.63 0.00 0.00 0.00 178.15 176.72 1jss s ILE 127 N -4.14 1.15 0.78 -0.67 1.01 -1.26 -4.88 121.20 113.20 1jss s ILE 127 Ca -0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1jss s ILE 127 Cb 0.13 -1.28 0.08 0.00 0.01 0.00 0.00 42.46 41.40 1jss s ILE 127 CO 0.42 0.19 1.14 -0.44 0.00 0.00 0.00 174.94 176.24 1jss s SER 128 N 1.62 4.55 0.24 3.58 0.01 -1.26 -0.97 113.70 121.48 1jss s SER 128 Ca 0.02 0.67 -0.31 0.00 1.31 0.00 0.00 55.95 57.64 1jss s SER 128 Cb -0.15 -1.19 -0.13 0.00 0.21 0.00 0.00 66.02 64.76 1jss s SER 128 CO -0.08 -1.84 1.41 -2.65 0.41 0.00 0.00 173.24 170.49 1jss n PRO 129 N -3.22 2.06 -4.13 12.44 -0.02 -1.26 -4.63 135.00 136.24 1jss n PRO 129 Ca 0.08 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 62.07 1jss n PRO 129 Cb 0.61 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1jss n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jss s ARG 130 N -0.43 2.60 -0.01 -0.52 3.00 -1.07 -2.01 118.95 120.51 1jss s ARG 130 Ca 0.68 -1.29 0.03 0.00 0.00 0.00 0.00 55.73 55.15 1jss s ARG 130 Cb -0.64 -2.35 -0.01 0.00 0.00 0.00 0.00 34.95 31.95 1jss s ARG 130 CO 0.50 0.29 -0.11 -2.00 0.00 0.00 0.00 175.30 173.98 1jss s GLU 131 N -3.81 0.87 -0.02 3.54 2.12 0.39 -1.42 118.70 120.36 1jss s GLU 131 Ca 0.34 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.28 1jss s GLU 131 Cb -0.06 -0.84 0.01 0.00 0.26 0.00 0.00 34.13 33.50 1jss s GLU 131 CO 0.23 0.23 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.10 1jss s PHE 132 N -0.28 0.34 -0.31 5.30 0.40 0.19 -0.12 117.98 123.50 1jss s PHE 132 Ca 0.04 -0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 1jss s PHE 132 Cb -0.04 -0.33 0.08 0.00 0.51 0.00 0.00 43.02 43.24 1jss s PHE 132 CO -0.00 -0.08 -0.02 0.08 0.70 0.00 0.00 175.22 175.90 1jss s VAL 133 N 0.51 2.21 0.17 -0.44 1.01 -1.26 -1.45 120.40 121.15 1jss s VAL 133 Ca -0.05 -2.04 0.11 0.00 0.00 0.00 0.00 61.98 59.99 1jss s VAL 133 Cb -0.08 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1jss s VAL 133 CO -0.01 -0.37 -0.21 -1.81 0.00 0.00 0.00 175.10 172.71 1jss s ASP 134 N 0.99 3.64 0.05 3.32 1.01 0.55 -1.30 116.67 124.93 1jss s ASP 134 Ca 0.03 -0.75 -0.21 0.00 0.71 0.00 0.00 52.55 52.32 1jss s ASP 134 Cb -0.19 -0.38 -0.06 0.00 1.01 0.00 0.00 42.92 43.29 1jss s ASP 134 CO -0.07 0.13 0.63 0.12 0.21 0.00 0.00 175.17 176.20 1jss s PHE 135 N -1.52 3.76 -0.03 4.23 5.36 0.76 -0.42 117.98 130.12 1jss s PHE 135 Ca 0.20 1.32 0.06 0.00 -0.96 0.00 0.00 56.93 57.56 1jss s PHE 135 Cb -0.09 -2.62 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 1jss s PHE 135 CO 0.10 0.44 -0.22 0.45 -1.46 0.00 0.00 175.22 174.53 1jss s SER 136 N -0.61 2.66 -0.09 6.13 0.15 0.30 -2.44 113.70 119.80 1jss s SER 136 Ca 0.32 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 1jss s SER 136 Cb -0.20 -0.46 0.05 0.00 -1.71 0.00 0.00 66.02 63.70 1jss s SER 136 CO 0.20 0.25 0.18 -0.47 1.20 0.00 0.00 173.24 174.60 1jss s TYR 137 N -0.36 -0.22 -0.14 3.44 5.04 -0.15 -1.17 117.35 123.79 1jss s TYR 137 Ca 0.04 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.32 1jss s TYR 137 Cb -0.10 -0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.05 1jss s TYR 137 CO 0.01 -0.25 -0.16 0.99 -1.34 0.00 0.00 175.55 174.80 1jss s THR 138 N 1.87 2.73 0.02 4.34 2.01 -0.87 -0.24 115.64 125.49 1jss s THR 138 Ca -0.02 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 1jss s THR 138 Cb -0.12 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.26 1jss s THR 138 CO -0.06 0.53 0.20 0.54 -0.69 0.00 0.00 174.62 175.13 1jss s VAL 139 N 0.55 0.09 0.44 3.82 0.11 0.77 -4.84 120.40 121.33 1jss s VAL 139 Ca -0.10 -0.75 -0.26 0.00 -2.93 0.00 0.00 61.98 57.95 1jss s VAL 139 Cb -0.16 -0.69 -0.08 0.00 -1.53 0.00 0.00 36.38 33.92 1jss s VAL 139 CO 0.04 -0.41 1.40 -0.83 -3.33 0.00 0.00 175.10 171.97 1jss s GLY 140 N -1.70 2.92 -0.10 6.54 0.00 -1.26 -0.32 107.32 113.39 1jss s GLY 140 Ca -0.10 1.42 -0.03 0.00 0.00 0.00 0.00 44.72 46.01 1jss s GLY 140 CO -0.00 2.03 0.06 -0.47 0.00 0.00 0.00 173.10 174.72 1jss s TYR 141 N -1.21 0.28 0.00 1.90 5.04 -0.05 -4.72 117.35 118.60 1jss s TYR 141 Ca 0.60 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1jss s TYR 141 Cb -0.43 -0.65 0.00 0.00 0.35 0.00 0.00 41.96 41.23 1jss s TYR 141 CO 0.55 -0.36 0.00 0.39 -1.34 0.00 0.00 175.55 174.79 1jss n GLU 142 N 5.25 0.00 0.00 4.97 -0.58 -1.26 0.37 120.64 129.39 1jss n GLU 142 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1jss n GLU 142 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 1jss n GLU 142 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1jss n GLU 143 N 11.19 0.00 0.00 3.49 0.00 -1.26 -4.90 120.64 129.16 1jss n GLU 143 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.37 1jss n GLU 143 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 29.90 1jss n GLU 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jss n GLY 144 N -1.17 4.48 3.08 -1.84 0.00 0.16 -4.65 105.19 105.25 1jss n GLY 144 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 1jss n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jss s LEU 145 N 0.00 2.45 -0.09 0.99 1.43 0.60 -0.87 118.68 123.19 1jss s LEU 145 Ca 0.00 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1jss s LEU 145 Cb 0.00 0.16 0.02 0.00 0.03 0.00 0.00 46.19 46.40 1jss s LEU 145 CO 0.00 -0.54 -0.09 -0.22 0.23 0.00 0.00 176.35 175.72 1jss s LEU 146 N -2.71 1.38 -0.36 1.79 2.96 0.56 -0.77 118.68 121.53 1jss s LEU 146 Ca 0.04 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1jss s LEU 146 Cb 0.05 -0.83 0.10 0.00 0.50 0.00 0.00 46.19 46.01 1jss s LEU 146 CO -0.08 -0.06 0.07 -0.55 -1.32 0.00 0.00 176.35 174.42 1jss s SER 147 N 1.28 4.71 0.50 3.68 0.15 -0.32 -0.16 113.70 123.53 1jss s SER 147 Ca -0.03 -2.25 0.06 0.00 0.70 0.00 0.00 55.95 54.43 1jss s SER 147 Cb -0.14 -1.62 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 1jss s SER 147 CO -0.03 -0.36 0.39 0.00 1.20 0.00 0.00 173.24 174.43 1jss s GLY 149 N -4.22 -0.36 -0.06 0.00 0.00 -0.40 -0.98 107.32 101.31 1jss s GLY 149 Ca 0.39 1.02 -0.21 0.00 0.00 0.00 0.00 44.72 45.93 1jss s GLY 149 CO 0.24 0.28 0.47 0.54 0.00 0.00 0.00 173.10 174.62 1jss s VAL 150 N -2.51 0.03 0.66 1.40 0.11 -1.02 -1.68 120.40 117.39 1jss s VAL 150 Ca 0.12 -0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 58.80 1jss s VAL 150 Cb 0.02 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1jss s VAL 150 CO -0.04 -0.13 1.08 -0.44 -3.33 0.00 0.00 175.10 172.24 1jss s SER 151 N -0.98 5.31 0.22 3.54 0.01 -0.06 -0.17 113.70 121.56 1jss s SER 151 Ca -0.10 1.84 0.02 0.00 1.31 0.00 0.00 55.95 59.02 1jss s SER 151 Cb -0.03 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1jss s SER 151 CO 0.05 -1.49 0.04 0.68 0.41 0.00 0.00 173.24 172.93 1jss s VAL 152 N -2.58 0.70 0.27 3.43 -7.23 -0.42 -4.76 120.40 109.81 1jss s VAL 152 Ca 0.63 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 1jss s VAL 152 Cb -0.17 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.31 1jss s VAL 152 CO 0.44 -0.26 1.21 -1.61 -0.31 0.00 0.00 175.10 174.57 1jss s GLU 153 N -3.95 4.49 -0.28 4.82 0.41 -1.26 -4.77 118.70 118.16 1jss s GLU 153 Ca 0.30 1.98 0.02 0.00 -0.41 0.00 0.00 54.97 56.86 1jss s GLU 153 Cb 0.07 -3.16 0.16 0.00 -1.78 0.00 0.00 34.13 29.42 1jss s GLU 153 CO 0.09 -0.03 0.44 -0.46 -0.49 0.00 0.00 175.26 174.81 1jss s TRP 154 N -0.82 -1.14 0.23 1.61 -0.11 -1.26 -5.06 118.94 112.39 1jss s TRP 154 Ca 0.49 0.60 -0.08 0.00 1.22 0.00 0.00 56.10 58.32 1jss s TRP 154 Cb -0.35 -0.02 0.36 0.00 -1.50 0.00 0.00 33.47 31.97 1jss s TRP 154 CO 0.44 -0.95 1.68 1.03 -4.62 0.00 0.00 176.95 174.53 1jss h SER 155 N 8.13 -0.08 -1.41 5.86 0.87 -2.05 -3.41 113.55 121.46 1jss h SER 155 Ca -0.10 0.14 -0.66 0.00 -1.23 0.00 0.00 61.79 59.94 1jss h SER 155 Cb 1.14 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1jss h SER 155 CO 0.25 -0.05 1.29 1.21 -0.53 0.00 0.00 176.83 179.00 1jss n GLU 156 N -5.19 1.37 -4.38 2.24 2.13 -1.26 -4.93 120.64 110.62 1jss n GLU 156 Ca 0.11 0.43 -0.26 0.00 0.66 0.00 0.00 57.16 58.10 1jss n GLU 156 Cb 0.39 -2.51 -0.10 0.00 0.27 0.00 0.00 31.44 29.49 1jss n GLU 156 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1jss s THR 157 N 6.26 2.72 -0.03 6.31 -4.23 -1.26 -5.14 115.64 120.26 1jss s THR 157 Ca 1.04 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1jss s THR 157 Cb -0.81 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 70.69 1jss s THR 157 CO 0.51 -0.19 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.22 1jss s ARG 158 N -2.96 0.71 0.38 3.99 0.52 -1.26 -5.07 118.95 115.27 1jss s ARG 158 Ca 0.25 -0.13 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 1jss s ARG 158 Cb -0.07 -0.72 0.86 0.00 0.52 0.00 0.00 34.95 35.54 1jss s ARG 158 CO 0.13 -0.02 1.92 -1.35 0.02 0.00 0.00 175.30 176.00 1jss h PRO 159 N 6.85 0.61 0.00 3.54 0.11 -2.04 -2.77 132.00 138.30 1jss h PRO 159 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jss h PRO 159 Cb 1.16 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jss h PRO 159 CO 0.48 0.40 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 1jss n GLU 160 N -4.51 0.17 -4.68 1.05 0.28 -1.26 -4.78 120.64 106.91 1jss n GLU 160 Ca 0.14 0.06 -0.25 0.00 -0.16 0.00 0.00 57.16 56.94 1jss n GLU 160 Cb 0.40 -1.50 -0.17 0.00 1.43 0.00 0.00 31.44 31.60 1jss n GLU 160 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1jss s PHE 161 N -2.80 1.60 0.09 -1.84 0.40 -1.05 -4.63 117.98 109.75 1jss s PHE 161 Ca 0.18 -0.58 -0.29 0.00 -0.60 0.00 0.00 56.93 55.64 1jss s PHE 161 Cb 0.17 -1.14 -0.06 0.00 0.51 0.00 0.00 43.02 42.50 1jss s PHE 161 CO 0.43 -0.28 0.91 0.08 0.70 0.00 0.00 175.22 177.05 1jss s VAL 162 N 0.55 4.59 -0.48 -0.44 1.01 -0.85 -4.65 120.40 120.12 1jss s VAL 162 Ca -0.14 1.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.50 1jss s VAL 162 Cb -0.15 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1jss s VAL 162 CO 0.04 0.32 1.35 -0.60 0.00 0.00 0.00 175.10 176.22 1jss s ARG 163 N 0.04 3.50 0.78 2.72 6.06 -1.26 -0.47 118.95 130.32 1jss s ARG 163 Ca 0.45 0.67 -0.08 0.00 -2.50 0.00 0.00 55.73 54.27 1jss s ARG 163 Cb -0.22 -4.04 0.11 0.00 0.06 0.00 0.00 34.95 30.86 1jss s ARG 163 CO 0.28 -1.67 1.10 0.20 -2.50 0.00 0.00 175.30 172.71 1jss s GLY 164 N 3.79 1.72 -0.03 8.12 0.00 0.83 -4.74 107.32 117.01 1jss s GLY 164 Ca 0.55 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 1jss s GLY 164 CO 0.30 -0.61 0.05 -0.47 0.00 0.00 0.00 173.10 172.37 1jss s TYR 165 N -3.40 0.06 -0.26 1.90 5.04 -0.09 -4.71 117.35 115.89 1jss s TYR 165 Ca 0.65 0.19 -0.12 0.00 -2.44 0.00 0.00 57.07 55.36 1jss s TYR 165 Cb -0.08 -0.38 -0.05 0.00 0.35 0.00 0.00 41.96 41.80 1jss s TYR 165 CO 0.47 -0.15 0.21 -0.80 -1.34 0.00 0.00 175.55 173.94 1jss s ASN 166 N 1.67 6.11 0.82 4.32 0.01 -1.26 -0.22 114.94 126.38 1jss s ASN 166 Ca -0.01 0.10 -0.10 0.00 -0.71 0.00 0.00 52.86 52.14 1jss s ASN 166 Cb -0.12 -2.13 0.13 0.00 0.41 0.00 0.00 41.25 39.53 1jss s ASN 166 CO -0.03 -0.02 1.15 -1.00 -1.51 0.00 0.00 177.10 175.69 1jss s HIS 167 N 1.50 2.20 0.00 2.20 3.76 -0.73 -0.88 115.29 123.34 1jss s HIS 167 Ca 0.09 0.32 -0.39 0.00 -0.15 0.00 0.00 55.06 54.93 1jss s HIS 167 Cb -0.15 -3.55 -0.19 0.00 1.11 0.00 0.00 32.58 29.79 1jss s HIS 167 CO 0.08 -1.98 1.03 -2.30 -0.85 0.00 0.00 174.74 170.72 1jss n PRO 168 N -3.28 0.00 -4.00 8.40 -0.02 -1.26 -4.46 135.00 130.37 1jss n PRO 168 Ca 0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 1jss n PRO 168 Cb 0.60 -1.45 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 1jss n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jss n GLY 170 N -0.36 1.92 3.34 0.00 0.00 -0.09 -1.27 105.19 108.72 1jss n GLY 170 Ca -0.02 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1jss n GLY 170 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jss s TRP 171 N -2.00 2.80 -0.14 1.61 0.52 -0.06 -1.09 118.94 120.58 1jss s TRP 171 Ca 0.00 -0.77 -0.06 0.00 0.02 0.00 0.00 56.10 55.30 1jss s TRP 171 Cb 0.00 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1jss s TRP 171 CO 0.00 -0.30 0.07 -0.06 0.02 0.00 0.00 176.95 176.68 1jss s PHE 172 N 0.51 3.32 -0.07 -1.98 0.40 0.22 -1.17 117.98 119.20 1jss s PHE 172 Ca -0.09 0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.44 1jss s PHE 172 Cb -0.16 -1.95 0.04 0.00 0.51 0.00 0.00 43.02 41.46 1jss s PHE 172 CO 0.04 0.41 0.14 0.00 0.70 0.00 0.00 175.22 176.52 1jss s VAL 174 N 2.04 0.21 0.51 0.00 -7.23 -0.90 -0.30 120.40 114.74 1jss s VAL 174 Ca 0.01 -1.42 -0.23 0.00 -1.81 0.00 0.00 61.98 58.53 1jss s VAL 174 Cb -0.12 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 1jss s VAL 174 CO -0.05 -0.77 1.35 -2.84 -0.31 0.00 0.00 175.10 172.48 1jss s PRO 175 N -2.83 3.36 0.33 4.82 0.02 -1.26 0.45 135.00 139.89 1jss s PRO 175 Ca -0.03 2.23 -0.28 0.00 0.02 0.00 0.00 61.00 62.94 1jss s PRO 175 Cb -0.00 -2.38 -0.12 0.00 0.02 0.00 0.00 34.50 32.01 1jss s PRO 175 CO -0.06 -1.01 1.33 1.28 -0.33 0.00 0.00 177.00 178.21 1jss n LEU 176 N -0.73 3.63 0.00 -5.54 4.77 -0.87 -4.60 117.00 113.65 1jss n LEU 176 Ca 0.09 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 1jss n LEU 176 Cb 0.44 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1jss n LEU 176 CO 0.54 -0.42 0.00 2.29 -1.33 0.00 0.00 177.39 178.47 1jss n LYS 177 N 0.73 0.00 -2.72 3.23 0.00 -1.26 -2.51 118.16 115.64 1jss n LYS 177 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.32 1jss n LYS 177 Cb 0.36 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.41 1jss n LYS 177 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jss n ASP 178 N -1.05 -2.53 -4.34 -5.58 8.00 -1.26 -5.15 116.55 104.64 1jss n ASP 178 Ca 0.00 -2.14 -0.27 0.00 0.71 0.00 0.00 54.79 53.09 1jss n ASP 178 Cb 0.00 1.31 -0.08 0.00 -0.02 0.00 0.00 41.12 42.33 1jss n ASP 178 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1jss s SER 179 N 0.61 3.13 0.00 -2.24 0.15 -1.04 -5.16 113.70 109.15 1jss s SER 179 Ca 0.27 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1jss s SER 179 Cb 0.08 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1jss s SER 179 CO -0.09 -0.86 0.00 -0.81 1.20 0.00 0.00 173.24 172.68 1jss n PRO 180 N -0.98 0.00 -1.10 5.44 -0.04 -1.26 -4.63 135.00 132.44 1jss n PRO 180 Ca -0.09 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.20 1jss n PRO 180 Cb 0.66 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.06 1jss n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jss n SER 181 N 0.00 6.03 -4.42 3.54 2.88 -1.26 -4.88 113.62 115.51 1jss n SER 181 Ca 0.00 -2.89 -0.21 0.00 -1.33 0.00 0.00 58.87 54.43 1jss n SER 181 Cb 0.00 -1.22 -0.10 0.00 -0.75 0.00 0.00 64.21 62.14 1jss n SER 181 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1jss s GLN 182 N -0.86 1.53 0.15 -1.46 -0.21 -1.25 -0.71 119.66 116.85 1jss s GLN 182 Ca 0.47 -1.73 -0.18 0.00 0.02 0.00 0.00 55.36 53.94 1jss s GLN 182 Cb 0.29 -1.32 0.04 0.00 1.00 0.00 0.00 33.01 33.01 1jss s GLN 182 CO -0.09 0.16 0.47 -1.54 -2.12 0.00 0.00 175.29 172.17 1jss s SER 183 N -3.43 -0.30 -0.22 5.90 1.04 -0.83 -2.05 113.70 113.82 1jss s SER 183 Ca 0.27 -0.31 -0.07 0.00 0.48 0.00 0.00 55.95 56.32 1jss s SER 183 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1jss s SER 183 CO 0.11 -0.93 0.06 -0.22 0.98 0.00 0.00 173.24 173.25 1jss s LEU 184 N -2.81 3.58 -0.28 2.42 2.96 0.17 -0.87 118.68 123.85 1jss s LEU 184 Ca 0.04 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 1jss s LEU 184 Cb 0.01 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1jss s LEU 184 CO -0.10 0.06 0.06 -0.22 -1.32 0.00 0.00 176.35 174.83 1jss s LEU 185 N 1.04 3.62 -0.10 -0.68 2.96 -0.53 -2.11 118.68 122.88 1jss s LEU 185 Ca 0.04 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1jss s LEU 185 Cb -0.14 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1jss s LEU 185 CO 0.03 -0.14 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.80 1jss s THR 186 N 1.51 2.20 0.13 3.68 2.01 0.87 -2.36 115.64 123.68 1jss s THR 186 Ca 0.04 -0.98 0.10 0.00 0.31 0.00 0.00 61.69 61.16 1jss s THR 186 Cb -0.16 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1jss s THR 186 CO 0.02 0.56 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.43 1jss s GLY 187 N 0.25 1.47 -0.15 4.40 0.00 0.18 0.70 107.32 114.16 1jss s GLY 187 Ca -0.15 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.14 1jss s GLY 187 CO 0.08 -1.41 -0.04 -0.19 0.00 0.00 0.00 173.10 171.53 1jss s TYR 188 N -1.24 1.48 -0.12 1.90 1.51 -0.25 -1.38 117.35 119.26 1jss s TYR 188 Ca 0.12 -0.91 0.03 0.00 -1.01 0.00 0.00 57.07 55.31 1jss s TYR 188 Cb -0.09 -1.21 0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1jss s TYR 188 CO 0.06 -0.57 -0.22 0.42 -1.11 0.00 0.00 175.55 174.13 1jss s ILE 189 N 1.71 2.00 -0.42 2.71 -1.09 -0.82 -0.92 121.20 124.37 1jss s ILE 189 Ca 0.02 -0.97 0.10 0.00 -2.23 0.00 0.00 60.65 57.57 1jss s ILE 189 Cb -0.15 -1.75 0.40 0.00 -1.58 0.00 0.00 42.46 39.38 1jss s ILE 189 CO -0.07 0.54 0.94 1.67 -1.23 0.00 0.00 174.94 176.79 1jss n GLN 190 N 3.79 2.17 -2.73 2.79 7.27 -1.26 0.04 117.38 129.45 1jss n GLN 190 Ca -0.20 -3.98 -0.40 0.00 0.07 0.00 0.00 57.00 52.49 1jss n GLN 190 Cb 0.52 -1.84 -0.05 0.00 2.41 0.00 0.00 30.24 31.28 1jss n GLN 190 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1jss s THR 191 N -3.89 4.25 -0.47 1.69 2.01 -1.26 -1.77 115.64 116.21 1jss s THR 191 Ca 0.41 2.07 -0.01 0.00 0.31 0.00 0.00 61.69 64.46 1jss s THR 191 Cb 0.38 -4.32 0.12 0.00 0.01 0.00 0.00 72.50 68.69 1jss s THR 191 CO -0.09 0.41 0.25 -0.62 -0.69 0.00 0.00 174.62 173.88 1jss s ASP 192 N -0.63 5.08 0.17 3.53 -1.08 0.69 -4.86 116.67 119.57 1jss s ASP 192 Ca 0.44 -2.37 0.11 0.00 -0.52 0.00 0.00 52.55 50.21 1jss s ASP 192 Cb -0.25 -1.79 0.59 0.00 -1.46 0.00 0.00 42.92 40.02 1jss s ASP 192 CO 0.31 -0.44 1.31 0.18 0.52 0.00 0.00 175.17 177.05 1jss n LEU 193 N 4.10 0.28 0.00 -1.34 4.32 -1.26 -0.91 117.00 122.19 1jss n LEU 193 Ca 0.02 0.61 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 1jss n LEU 193 Cb 0.40 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 1jss n LEU 193 CO 0.32 -0.71 0.00 0.54 -1.22 0.00 0.00 177.39 176.32 1jss n ARG 194 N -1.88 0.00 0.00 3.23 5.12 -1.26 -4.54 116.66 117.33 1jss n ARG 194 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1jss n ARG 194 Cb 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 1jss n ARG 194 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jss n GLY 195 N 0.00 1.51 2.67 -0.13 0.00 -1.26 -4.46 105.19 103.52 1jss n GLY 195 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1jss n GLY 195 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jss s MET 196 N 0.00 0.85 -0.03 1.61 -1.94 -1.26 -5.11 119.30 113.42 1jss s MET 196 Ca 0.00 -1.40 0.01 0.00 -1.71 0.00 0.00 55.69 52.59 1jss s MET 196 Cb 0.00 -1.94 0.01 0.00 2.01 0.00 0.00 34.83 34.91 1jss s MET 196 CO 0.00 -1.09 -0.04 0.42 -0.01 0.00 0.00 175.02 174.30 1jss s ILE 197 N 1.12 0.44 0.47 2.53 1.01 -1.26 -5.03 121.20 120.48 1jss s ILE 197 Ca 0.14 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 1jss s ILE 197 Cb -0.21 -0.45 -0.07 0.00 0.01 0.00 0.00 42.46 41.75 1jss s ILE 197 CO -0.13 0.18 1.32 -2.84 0.00 0.00 0.00 174.94 173.47 1jss s PRO 198 N 0.54 3.59 0.39 2.79 0.02 -1.26 -4.84 135.00 136.24 1jss s PRO 198 Ca -0.07 2.17 0.08 0.00 0.02 0.00 0.00 61.00 63.20 1jss s PRO 198 Cb -0.10 -2.51 0.83 0.00 0.02 0.00 0.00 34.50 32.75 1jss s PRO 198 CO -0.00 -0.81 2.00 1.96 -0.33 0.00 0.00 177.00 179.82 1jss h GLN 199 N 2.08 0.61 -0.94 5.54 1.08 -2.00 -1.99 115.11 119.49 1jss h GLN 199 Ca -0.50 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 56.68 1jss h GLN 199 Cb 1.27 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.51 1jss h GLN 199 CO 0.60 0.40 0.62 0.66 -0.95 0.00 0.00 178.83 180.17 1jss h SER 200 N 0.63 1.06 -0.12 1.46 4.64 -1.99 0.18 113.55 119.41 1jss h SER 200 Ca 0.25 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.35 1jss h SER 200 Cb 0.20 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1jss h SER 200 CO -0.07 0.76 -0.66 0.00 -0.87 0.00 0.00 176.83 175.99 1jss h ALA 201 N 1.36 0.46 -0.21 5.18 0.00 -1.79 -2.49 119.26 121.77 1jss h ALA 201 Ca 0.36 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jss h ALA 201 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jss h ALA 201 CO -0.09 0.69 0.09 0.28 0.00 0.00 0.00 179.25 180.22 1jss h VAL 202 N 0.54 1.16 0.50 0.00 2.07 -0.88 -0.06 116.25 119.56 1jss h VAL 202 Ca -0.02 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1jss h VAL 202 Cb 1.26 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1jss h VAL 202 CO 0.13 0.15 -0.49 0.44 0.02 0.00 0.00 177.57 177.83 1jss h ASP 203 N 0.19 -1.34 -0.23 0.57 3.32 -0.66 0.11 116.42 118.38 1jss h ASP 203 Ca 0.07 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1jss h ASP 203 Cb 0.16 0.44 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 1jss h ASP 203 CO -0.01 -0.65 -0.23 0.74 -1.72 0.00 0.00 179.24 177.37 1jss h THR 204 N -0.99 0.41 -0.26 0.35 2.02 -1.43 -1.23 112.91 111.80 1jss h THR 204 Ca -0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1jss h THR 204 Cb 0.86 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1jss h THR 204 CO -0.06 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.74 1jss h ALA 205 N 0.81 0.14 -0.51 6.16 0.00 -0.72 -1.52 119.26 123.62 1jss h ALA 205 Ca 0.13 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1jss h ALA 205 Cb 0.44 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1jss h ALA 205 CO -0.37 -0.49 -0.02 0.52 0.00 0.00 0.00 179.25 178.88 1jss h MET 206 N -0.04 0.88 -0.16 0.00 2.07 -0.43 -0.16 114.93 117.09 1jss h MET 206 Ca 0.13 -0.26 -0.02 0.00 -2.07 0.00 0.00 59.70 57.48 1jss h MET 206 Cb 0.23 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 1jss h MET 206 CO -0.28 0.89 0.04 0.00 1.07 0.00 0.00 176.91 178.62 1jss h ALA 207 N 1.16 0.21 -0.06 6.32 0.00 -0.95 -2.82 119.26 123.12 1jss h ALA 207 Ca 0.15 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1jss h ALA 207 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jss h ALA 207 CO 0.03 -0.15 -0.59 0.66 0.00 0.00 0.00 179.25 179.20 1jss h SER 208 N 0.06 0.21 -0.15 0.00 4.64 -1.20 -2.57 113.55 114.54 1jss h SER 208 Ca 0.05 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1jss h SER 208 Cb 0.27 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1jss h SER 208 CO 0.00 0.75 0.03 0.00 -0.87 0.00 0.00 176.83 176.74 1jss h THR 209 N 0.14 1.14 -0.03 2.95 1.03 -0.95 0.14 112.91 117.32 1jss h THR 209 Ca -0.00 -0.51 -0.24 0.00 -0.01 0.00 0.00 66.41 65.64 1jss h THR 209 Cb 1.07 0.93 0.02 0.00 -1.07 0.00 0.00 68.15 69.10 1jss h THR 209 CO 0.09 0.18 -0.93 -0.07 -0.01 0.00 0.00 175.52 174.78 1jss h LEU 210 N 0.34 0.86 -0.31 0.00 4.07 -1.37 -2.21 115.31 116.70 1jss h LEU 210 Ca 0.08 -0.72 -0.05 0.00 0.08 0.00 0.00 57.88 57.27 1jss h LEU 210 Cb 0.19 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1jss h LEU 210 CO 0.00 1.47 -0.01 0.00 -1.08 0.00 0.00 178.44 178.82 1jss h ALA 211 N 0.42 0.41 0.00 1.53 0.00 -1.04 -2.84 119.26 117.73 1jss h ALA 211 Ca -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1jss h ALA 211 Cb 1.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1jss h ALA 211 CO 0.18 0.17 -0.18 -0.91 0.00 0.00 0.00 179.25 178.52 1jss h ASN 212 N 0.34 0.00 -0.28 0.00 2.35 -0.79 -2.46 115.58 114.73 1jss h ASN 212 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1jss h ASN 212 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1jss h ASN 212 CO 0.02 0.18 0.10 0.15 -1.65 0.00 0.00 177.43 176.23 1jss h PHE 213 N 0.00 0.44 -0.42 1.19 3.57 -1.15 0.31 116.94 120.88 1jss h PHE 213 Ca -0.00 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1jss h PHE 213 Cb 0.45 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1jss h PHE 213 CO 0.00 0.46 0.05 1.88 -2.23 0.00 0.00 178.31 178.47 1jss h TYR 214 N 0.30 0.76 0.31 0.41 -1.99 -1.43 0.47 116.97 115.79 1jss h TYR 214 Ca 0.09 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1jss h TYR 214 Cb 0.22 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 1jss h TYR 214 CO -0.00 0.74 -0.37 1.03 -0.00 0.00 0.00 178.16 179.57 1jss h SER 215 N 0.56 -1.01 -0.55 3.88 0.87 -1.27 -1.14 113.55 114.89 1jss h SER 215 Ca 0.12 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1jss h SER 215 Cb 0.41 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 1jss h SER 215 CO 0.01 -0.50 0.26 0.44 -0.53 0.00 0.00 176.83 176.52 1jss h ASP 216 N -0.72 0.72 -0.89 6.23 3.32 -0.27 -2.95 116.42 121.87 1jss h ASP 216 Ca -0.01 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.96 1jss h ASP 216 Cb 0.67 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1jss h ASP 216 CO -0.10 0.65 0.56 0.25 -1.72 0.00 0.00 179.24 178.89 1jss h LEU 217 N 0.74 0.89 -1.64 1.55 5.85 0.14 -0.88 115.31 121.97 1jss h LEU 217 Ca 0.19 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1jss h LEU 217 Cb 0.12 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1jss h LEU 217 CO -0.02 0.58 -0.20 0.03 -0.34 0.00 0.00 178.44 178.48 1jss h ARG 218 N 1.03 0.00 0.11 1.25 3.08 -1.04 -2.07 114.38 116.75 1jss h ARG 218 Ca 0.38 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.14 1jss h ARG 218 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1jss h ARG 218 CO -0.17 0.20 -1.46 0.87 -1.07 0.00 0.00 179.97 178.35 1jss h LYS 219 N 0.00 0.24 0.00 0.04 1.57 -1.21 -3.19 116.57 114.02 1jss h LYS 219 Ca -0.00 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.30 1jss h LYS 219 Cb 0.44 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1jss h LYS 219 CO 0.03 1.12 -0.30 0.78 -0.57 0.00 0.00 179.45 180.50 1jss h GLY 220 N 1.74 0.00 2.00 3.86 0.00 -0.94 0.23 103.07 109.96 1jss h GLY 220 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1jss h GLY 220 CO 0.17 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.12 1jss h LEU 221 N 0.00 0.00 0.00 3.11 4.07 -1.43 -3.50 115.31 117.55 1jss h LEU 221 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jss h LEU 221 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1jss h LEU 221 CO 0.04 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.94