#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 0.00 0.15 0.00 3.41 -1.26 -3.31 113.62 112.61 1jss n SER 25 Ca 0.00 -1.00 0.08 0.00 -0.26 0.00 0.00 58.87 57.69 1jss n SER 25 Cb 0.00 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.00 1.01 -0.21 -1.33 2.04 -2.05 -1.52 117.51 115.44 1jss h ILE 26 Ca 0.00 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1jss h ILE 26 Cb 0.00 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1jss h ILE 26 CO 0.00 0.03 -0.25 0.77 0.00 0.00 0.00 178.15 178.71 1jss h SER 27 N 0.17 0.39 -0.29 1.72 4.64 -1.98 0.66 113.55 118.87 1jss h SER 27 Ca 0.07 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.12 1jss h SER 27 Cb 0.08 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1jss h SER 27 CO -0.01 0.64 -0.38 0.74 -0.87 0.00 0.00 176.83 176.95 1jss h THR 28 N 0.35 1.28 -0.32 2.95 2.02 -1.54 -1.60 112.91 116.05 1jss h THR 28 Ca 0.05 -1.55 -0.16 0.00 0.77 0.00 0.00 66.41 65.53 1jss h THR 28 Cb 0.62 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1jss h THR 28 CO 0.04 0.51 -0.41 0.11 0.37 0.00 0.00 175.52 176.15 1jss h LYS 29 N 0.68 0.85 -0.60 6.66 1.57 -1.26 -1.68 116.57 122.78 1jss h LYS 29 Ca 0.06 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1jss h LYS 29 Cb 0.94 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1jss h LYS 29 CO 0.09 1.12 0.31 1.25 -0.57 0.00 0.00 179.45 181.65 1jss h LEU 30 N 0.63 0.77 -0.07 2.94 6.46 -0.82 -0.19 115.31 125.03 1jss h LEU 30 Ca 0.04 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1jss h LEU 30 Cb 1.00 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1jss h LEU 30 CO 0.10 0.66 0.04 -0.61 -0.62 0.00 0.00 178.44 178.01 1jss h GLN 31 N 0.82 0.09 -0.30 1.25 4.15 -1.20 -2.27 115.11 117.65 1jss h GLN 31 Ca 0.21 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 1jss h GLN 31 Cb 0.07 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1jss h GLN 31 CO -0.03 0.08 -0.09 -0.91 -1.93 0.00 0.00 178.83 175.94 1jss h ASN 32 N 0.07 0.47 -0.26 -0.69 2.35 -1.05 -1.98 115.58 114.49 1jss h ASN 32 Ca 0.02 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1jss h ASN 32 Cb 0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1jss h ASN 32 CO -0.00 0.61 0.12 0.74 -1.65 0.00 0.00 177.43 177.24 1jss h THR 33 N 0.46 1.15 -0.06 2.81 2.02 -0.77 -1.84 112.91 116.67 1jss h THR 33 Ca 0.09 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1jss h THR 33 Cb 0.45 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1jss h THR 33 CO 0.02 0.15 -0.40 -0.07 0.37 0.00 0.00 175.52 175.59 1jss h LEU 34 N 0.28 0.13 -0.86 2.58 3.38 -1.16 -0.47 115.31 119.20 1jss h LEU 34 Ca 0.09 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1jss h LEU 34 Cb 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jss h LEU 34 CO -0.01 0.53 -0.39 0.40 0.09 0.00 0.00 178.44 179.05 1jss h ILE 35 N 0.11 1.30 -0.04 1.22 2.04 -1.25 -0.50 117.51 120.40 1jss h ILE 35 Ca 0.01 -1.51 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 1jss h ILE 35 Cb 0.76 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1jss h ILE 35 CO 0.06 0.46 0.01 -0.61 0.00 0.00 0.00 178.15 178.07 1jss h GLN 36 N 0.30 0.06 -0.98 2.37 4.15 -0.51 -2.36 115.11 118.14 1jss h GLN 36 Ca 0.03 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.47 1jss h GLN 36 Cb 0.83 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 1jss h GLN 36 CO 0.07 0.24 0.64 1.88 -1.93 0.00 0.00 178.83 179.74 1jss h TYR 37 N -0.14 1.21 0.00 3.99 0.05 -0.84 -0.05 116.97 121.18 1jss h TYR 37 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1jss h TYR 37 Cb 0.21 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 37.55 1jss h TYR 37 CO -0.00 0.71 0.00 1.58 -1.05 0.00 0.00 178.16 179.40 1jss n HIS 38 N -4.43 0.00 0.04 4.88 -0.00 -0.22 -1.70 115.22 113.79 1jss n HIS 38 Ca 0.13 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.42 1jss n HIS 38 Cb 0.08 -0.50 -0.10 0.00 -0.12 0.00 0.00 29.99 29.35 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 -1.50 0.36 -4.67 0.26 3.41 -0.05 -4.88 113.62 106.54 1jss n SER 39 Ca 0.03 0.14 -0.45 0.00 -0.26 0.00 0.00 58.87 58.32 1jss n SER 39 Cb 0.13 1.34 -0.04 0.00 -0.26 0.00 0.00 64.21 65.38 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 -2.44 0.61 -3.38 -1.33 5.41 -0.69 -4.93 119.36 112.61 1jss n ILE 40 Ca -0.02 -0.11 -0.31 0.00 1.00 0.00 0.00 62.75 63.31 1jss n ILE 40 Cb 0.56 -2.06 -0.05 0.00 -0.71 0.00 0.00 39.64 37.38 1jss n ILE 40 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1jss s GLU 41 N 3.93 3.75 0.07 0.38 0.41 -1.26 -4.96 118.70 121.03 1jss s GLU 41 Ca 0.89 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 55.66 1jss s GLU 41 Cb -0.57 -2.64 0.18 0.00 -1.78 0.00 0.00 34.13 29.32 1jss s GLU 41 CO 0.46 0.28 0.38 0.39 -0.49 0.00 0.00 175.26 176.28 1jss n GLU 42 N -0.36 -0.02 -0.26 1.61 1.02 -1.26 -1.65 120.64 119.71 1jss n GLU 42 Ca -0.00 0.37 0.16 0.00 -0.02 0.00 0.00 57.16 57.67 1jss n GLU 42 Cb 0.53 -0.58 0.31 0.00 -0.02 0.00 0.00 31.44 31.68 1jss n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jss n ASP 43 N -4.14 0.04 0.09 1.62 8.00 -1.26 0.92 116.55 121.82 1jss n ASP 43 Ca 0.06 1.32 0.13 0.00 0.71 0.00 0.00 54.79 57.00 1jss n ASP 43 Cb 0.18 -0.54 0.36 0.00 -0.02 0.00 0.00 41.12 41.11 1jss n ASP 43 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jss n GLU 44 N -4.98 0.25 -3.16 -1.24 1.02 -0.66 -4.86 120.64 107.01 1jss n GLU 44 Ca 0.22 0.17 -0.39 0.00 -0.02 0.00 0.00 57.16 57.15 1jss n GLU 44 Cb 0.75 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1jss n GLU 44 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1jss s TRP 45 N -3.11 3.81 -0.17 -0.32 0.52 0.26 -4.74 118.94 115.20 1jss s TRP 45 Ca 0.10 1.38 -0.03 0.00 0.02 0.00 0.00 56.10 57.57 1jss s TRP 45 Cb 0.13 -2.62 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 1jss s TRP 45 CO 0.62 0.50 -0.06 1.03 0.02 0.00 0.00 176.95 179.06 1jss s ARG 46 N -0.85 3.52 0.29 4.98 0.52 -0.65 -4.92 118.95 121.83 1jss s ARG 46 Ca 0.32 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 1jss s ARG 46 Cb -0.20 -2.87 -0.13 0.00 0.52 0.00 0.00 34.95 32.28 1jss s ARG 46 CO 0.21 0.12 1.42 0.28 0.02 0.00 0.00 175.30 177.35 1jss n VAL 47 N 3.87 1.35 -0.01 3.52 0.31 -1.26 -1.15 118.33 124.95 1jss n VAL 47 Ca -0.18 -0.34 -0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1jss n VAL 47 Cb 0.52 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 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 1.39 2.00 -3.64 3.52 0.00 0.20 -4.81 120.51 119.16 1jss n ALA 48 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1jss n ALA 48 Cb 0.34 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.13 0.25 -0.24 0.00 2.20 -0.88 -4.99 119.74 113.94 1jss s LYS 49 Ca -0.01 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1jss s LYS 49 Cb 0.01 0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1jss s LYS 49 CO 0.13 -0.03 -0.08 0.15 -0.36 0.00 0.00 175.35 175.16 1jss s LYS 50 N 0.29 2.80 0.49 4.03 1.02 -1.26 -0.85 119.74 126.25 1jss s LYS 50 Ca 0.03 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.09 1jss s LYS 50 Cb -0.05 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1jss s LYS 50 CO -0.12 -0.39 0.32 0.00 -0.92 0.00 0.00 175.35 174.24 1jss s ALA 51 N 1.30 4.14 0.09 5.17 0.00 0.41 -5.02 121.76 127.85 1jss s ALA 51 Ca -0.00 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 50.27 1jss s ALA 51 Cb -0.17 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1jss s ALA 51 CO -0.05 -0.31 0.99 1.63 0.00 0.00 0.00 175.76 178.01 1jss n LYS 52 N -1.57 -0.24 -2.74 0.00 4.76 -1.26 -2.97 118.16 114.15 1jss n LYS 52 Ca -0.02 0.97 -0.05 0.00 -2.87 0.00 0.00 58.31 56.34 1jss n LYS 52 Cb 0.64 -1.43 0.04 0.00 -1.84 0.00 0.00 35.03 32.44 1jss n LYS 52 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jss n ASP 53 N -4.38 1.35 -3.74 4.39 -0.08 -1.26 -5.06 116.55 107.77 1jss n ASP 53 Ca 0.01 -2.39 -0.12 0.00 -1.51 0.00 0.00 54.79 50.77 1jss n ASP 53 Cb 0.14 -0.44 -0.11 0.00 2.34 0.00 0.00 41.12 43.05 1jss n ASP 53 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1jss s VAL 54 N -3.27 -0.01 -0.04 5.18 1.01 -1.16 -4.08 120.40 118.04 1jss s VAL 54 Ca 0.26 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.35 1jss s VAL 54 Cb 0.40 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1jss s VAL 54 CO -0.00 0.02 -0.22 -0.89 0.00 0.00 0.00 175.10 174.00 1jss s THR 55 N 0.59 1.80 -0.09 3.92 2.01 -0.80 -0.44 115.64 122.63 1jss s THR 55 Ca -0.03 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1jss s THR 55 Cb -0.05 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.94 1jss s THR 55 CO -0.04 0.51 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.47 1jss s VAL 56 N -0.25 2.03 0.34 3.82 1.01 -0.03 -1.75 120.40 125.57 1jss s VAL 56 Ca 0.01 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1jss s VAL 56 Cb -0.11 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 1jss s VAL 56 CO 0.02 0.56 0.03 0.26 0.00 0.00 0.00 175.10 175.96 1jss s TRP 57 N 0.22 2.11 0.14 5.22 0.51 0.10 0.61 118.94 127.86 1jss s TRP 57 Ca -0.15 -0.84 -0.13 0.00 -2.12 0.00 0.00 56.10 52.86 1jss s TRP 57 Cb -0.17 -1.39 0.02 0.00 -0.81 0.00 0.00 33.47 31.12 1jss s TRP 57 CO 0.08 0.17 0.36 -0.98 -0.51 0.00 0.00 176.95 176.07 1jss s ARG 58 N -3.82 1.11 0.00 4.98 1.70 -0.30 -0.56 118.95 122.06 1jss s ARG 58 Ca 0.35 -0.88 -0.26 0.00 -0.47 0.00 0.00 55.73 54.47 1jss s ARG 58 Cb 0.08 0.44 0.06 0.00 -0.57 0.00 0.00 34.95 34.96 1jss s ARG 58 CO 0.16 -0.43 0.58 -1.59 -1.08 0.00 0.00 175.30 172.94 1jss s LYS 59 N -3.86 1.03 0.25 3.89 -2.85 -0.77 -1.64 119.74 115.78 1jss s LYS 59 Ca 0.07 -0.01 -0.31 0.00 -1.00 0.00 0.00 55.97 54.73 1jss s LYS 59 Cb 0.02 0.48 -0.13 0.00 -2.06 0.00 0.00 37.83 36.14 1jss s LYS 59 CO -0.07 -0.35 1.38 -2.30 0.10 0.00 0.00 175.35 174.11 1jss n PRO 60 N 0.68 2.02 -2.85 1.78 -0.02 -1.26 -1.24 135.00 134.11 1jss n PRO 60 Ca -0.19 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 1jss n PRO 60 Cb 0.59 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.20 7.43 -0.23 2.55 0.15 0.06 -4.66 113.70 119.20 1jss s SER 61 Ca 0.67 1.79 0.12 0.00 0.70 0.00 0.00 55.95 59.23 1jss s SER 61 Cb -0.64 -2.56 0.75 0.00 -1.71 0.00 0.00 66.02 61.86 1jss s SER 61 CO 0.51 0.08 1.66 -0.62 1.20 0.00 0.00 173.24 176.08 1jss n GLU 62 N 1.12 4.46 -0.02 5.44 1.02 -1.26 -4.18 120.64 127.23 1jss n GLU 62 Ca -0.02 -2.90 -0.02 0.00 -0.02 0.00 0.00 57.16 54.20 1jss n GLU 62 Cb 0.49 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 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 0.48 3.14 -3.83 3.49 -0.58 -1.26 -5.11 120.64 116.98 1jss n GLU 63 Ca 0.27 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.94 1jss n GLU 63 Cb 1.16 -1.10 0.01 0.00 -0.57 0.00 0.00 31.44 30.93 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 -2.10 0.03 -1.32 -0.32 -0.12 -1.26 -5.05 117.98 107.84 1jss s PHE 64 Ca -0.02 -0.59 -0.16 0.00 -0.05 0.00 0.00 56.93 56.11 1jss s PHE 64 Cb 0.01 0.78 0.01 0.00 -0.63 0.00 0.00 43.02 43.19 1jss s PHE 64 CO 0.16 -1.34 2.12 -1.71 -0.05 0.00 0.00 175.22 174.40 1jss n ASN 65 N -1.11 3.75 -0.08 1.98 5.15 -1.26 -4.42 115.26 119.26 1jss n ASN 65 Ca -0.06 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 1jss n ASN 65 Cb 0.60 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 1jss n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jss n GLY 66 N 4.36 2.05 3.64 8.20 0.00 -1.26 -5.07 105.19 117.10 1jss n GLY 66 Ca 0.51 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.90 2.62 -0.15 1.61 4.12 -1.26 -0.76 117.35 120.63 1jss s TYR 67 Ca 0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 57.07 56.76 1jss s TYR 67 Cb 0.00 -1.33 -0.02 0.00 -1.52 0.00 0.00 41.96 39.09 1jss s TYR 67 CO 0.00 0.55 -0.08 -1.17 0.02 0.00 0.00 175.55 174.87 1jss s LEU 68 N -3.70 2.98 0.03 -1.29 2.96 -0.37 -4.45 118.68 114.84 1jss s LEU 68 Ca 0.33 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1jss s LEU 68 Cb -0.04 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1jss s LEU 68 CO 0.20 0.14 0.08 -0.31 -1.32 0.00 0.00 176.35 175.14 1jss s TYR 69 N 0.50 3.24 -0.03 5.38 1.51 0.14 -1.85 117.35 126.23 1jss s TYR 69 Ca -0.06 0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.21 1jss s TYR 69 Cb -0.15 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1jss s TYR 69 CO 0.03 0.53 -0.20 0.21 -1.11 0.00 0.00 175.55 175.01 1jss s LYS 70 N -2.01 1.92 0.02 -0.62 2.20 0.28 -1.64 119.74 119.88 1jss s LYS 70 Ca 0.26 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1jss s LYS 70 Cb -0.12 -1.72 -0.01 0.00 -1.51 0.00 0.00 37.83 34.46 1jss s LYS 70 CO 0.17 0.36 -0.05 0.00 -0.36 0.00 0.00 175.35 175.47 1jss s ALA 71 N -0.23 0.41 -0.20 3.13 0.00 -0.09 0.02 121.76 124.80 1jss s ALA 71 Ca 0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 1jss s ALA 71 Cb -0.11 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.06 1jss s ALA 71 CO 0.01 0.02 0.54 -1.14 0.00 0.00 0.00 175.76 175.19 1jss s GLN 72 N -0.80 0.62 -0.06 0.00 0.74 -0.72 -0.67 119.66 118.77 1jss s GLN 72 Ca -0.05 0.78 -0.31 0.00 0.05 0.00 0.00 55.36 55.84 1jss s GLN 72 Cb -0.06 0.28 0.11 0.00 1.10 0.00 0.00 33.01 34.44 1jss s GLN 72 CO -0.00 -0.08 0.98 0.20 -0.55 0.00 0.00 175.29 175.83 1jss s GLY 73 N 0.43 -0.42 0.12 2.59 0.00 -0.96 -1.91 107.32 107.17 1jss s GLY 73 Ca -0.01 1.18 -0.18 0.00 0.00 0.00 0.00 44.72 45.71 1jss s GLY 73 CO -0.01 0.39 0.59 0.54 0.00 0.00 0.00 173.10 174.60 1jss s VAL 74 N -2.92 4.75 -0.07 1.40 0.11 -1.26 -1.21 120.40 121.20 1jss s VAL 74 Ca 0.06 1.09 0.04 0.00 -2.93 0.00 0.00 61.98 60.25 1jss s VAL 74 Cb -0.01 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 1jss s VAL 74 CO -0.08 0.39 -0.21 -0.04 -3.33 0.00 0.00 175.10 171.84 1jss s MET 75 N -1.54 2.71 -1.38 1.54 -1.94 -0.47 -4.94 119.30 113.28 1jss s MET 75 Ca 0.34 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 53.40 1jss s MET 75 Cb -0.17 -2.30 0.09 0.00 2.01 0.00 0.00 34.83 34.46 1jss s MET 75 CO 0.19 0.39 2.16 -0.25 -0.01 0.00 0.00 175.02 177.51 1jss n ASP 76 N 2.94 5.29 -3.65 3.03 8.00 -1.26 -2.51 116.55 128.39 1jss n ASP 76 Ca -0.18 -2.97 0.01 0.00 0.71 0.00 0.00 54.79 52.37 1jss n ASP 76 Cb 0.52 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.12 40.08 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 1.76 -0.06 0.57 -2.24 -1.08 -1.11 -4.96 116.67 109.55 1jss s ASP 77 Ca 0.46 -0.20 -0.08 0.00 -0.52 0.00 0.00 52.55 52.22 1jss s ASP 77 Cb 0.13 0.22 -0.02 0.00 -1.46 0.00 0.00 42.92 41.78 1jss s ASP 77 CO -0.05 -0.41 0.92 0.54 0.52 0.00 0.00 175.17 176.70 1jss s VAL 78 N -2.49 4.49 0.11 1.11 0.11 -1.24 -2.76 120.40 119.72 1jss s VAL 78 Ca 0.16 0.43 -0.33 0.00 -2.93 0.00 0.00 61.98 59.31 1jss s VAL 78 Cb 0.03 -3.76 -0.13 0.00 -1.53 0.00 0.00 36.38 30.99 1jss s VAL 78 CO -0.02 -0.87 1.53 0.58 -3.33 0.00 0.00 175.10 172.99 1jss h VAL 79 N -0.12 0.00 -0.81 2.04 2.07 -1.91 -2.46 116.25 115.05 1jss h VAL 79 Ca -0.45 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.26 1jss h VAL 79 Cb 1.21 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.85 1jss h VAL 79 CO 0.62 0.00 0.11 0.78 0.02 0.00 0.00 177.57 179.10 1jss h ASN 80 N -0.63 -0.19 -0.52 0.57 2.35 -1.96 -0.73 115.58 114.46 1jss h ASN 80 Ca 0.01 0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 1jss h ASN 80 Cb 0.69 0.31 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1jss h ASN 80 CO -0.35 -0.17 -0.11 -1.13 -1.65 0.00 0.00 177.43 174.02 1jss h ASN 81 N 0.15 1.01 -0.09 5.81 -0.00 -1.91 -0.95 115.58 119.60 1jss h ASN 81 Ca 0.47 -0.33 -0.01 0.00 -0.00 0.00 0.00 56.30 56.43 1jss h ASN 81 Cb 0.89 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.93 1jss h ASN 81 CO -0.66 1.12 -0.00 0.58 -0.00 0.00 0.00 177.43 178.47 1jss h VAL 82 N 0.89 1.26 -0.05 2.57 2.07 -0.74 -3.03 116.25 119.23 1jss h VAL 82 Ca 0.14 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 1jss h VAL 82 Cb 0.68 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1jss h VAL 82 CO 0.05 0.23 -0.50 0.40 0.02 0.00 0.00 177.57 177.76 1jss h ILE 83 N -0.14 1.36 0.00 4.57 1.08 -1.19 -2.73 117.51 120.46 1jss h ILE 83 Ca 0.02 -1.74 -0.03 0.00 -0.39 0.00 0.00 64.86 62.72 1jss h ILE 83 Cb 0.36 1.88 -0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1jss h ILE 83 CO 0.00 0.51 -0.14 0.44 -0.69 0.00 0.00 178.15 178.28 1jss h ASP 84 N 0.10 0.00 1.19 1.72 5.19 -1.18 -1.88 116.42 121.56 1jss h ASP 84 Ca 0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1jss h ASP 84 Cb 0.93 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 1jss h ASP 84 CO 0.07 0.14 -0.85 0.45 -3.12 0.00 0.00 179.24 175.93 1jss h HIS 85 N 0.00 0.00 0.10 4.55 3.86 -1.38 -3.34 115.15 118.95 1jss h HIS 85 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.92 1jss h HIS 85 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1jss h HIS 85 CO 0.00 0.29 -1.39 0.82 0.86 0.00 0.00 177.93 178.51 1jss h ILE 86 N 0.00 1.31 -4.55 2.45 2.04 -1.14 -3.44 117.51 114.17 1jss h ILE 86 Ca -0.05 -2.95 -0.48 0.00 1.00 0.00 0.00 64.86 62.39 1jss h ILE 86 Cb 1.26 2.82 0.09 0.00 -0.74 0.00 0.00 36.82 40.25 1jss h ILE 86 CO 0.03 0.84 0.41 -0.13 0.00 0.00 0.00 178.15 179.30 1jss s ARG 87 N -2.64 2.28 0.68 2.37 0.52 -0.75 -5.02 118.95 116.39 1jss s ARG 87 Ca -0.06 0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.23 1jss s ARG 87 Cb 0.07 -1.97 0.01 0.00 0.52 0.00 0.00 34.95 33.58 1jss s ARG 87 CO 0.86 -1.40 1.25 -1.25 0.02 0.00 0.00 175.30 174.78 1jss s PRO 88 N -5.49 2.38 0.00 3.54 0.04 -1.26 -4.83 135.00 129.38 1jss s PRO 88 Ca 0.61 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1jss s PRO 88 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1jss s PRO 88 CO 0.50 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1jss n GLY 89 N 0.69 -0.78 0.00 0.56 0.00 -1.26 -4.99 105.19 99.41 1jss n GLY 89 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1jss n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jss n PRO 90 N 0.00 0.00 -1.33 1.61 -0.02 -1.26 -2.79 135.00 131.21 1jss n PRO 90 Ca 0.00 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.57 1jss n PRO 90 Cb 0.00 -0.63 0.11 0.00 -0.02 0.00 0.00 33.50 32.96 1jss n PRO 90 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1jss n TRP 91 N -1.28 2.86 0.14 6.00 7.02 -1.26 -4.70 117.44 126.22 1jss n TRP 91 Ca 0.00 -2.45 0.00 0.00 -1.02 0.00 0.00 57.50 54.03 1jss n TRP 91 Cb 0.00 -1.06 0.26 0.00 -2.42 0.00 0.00 31.31 28.09 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 1.64 0.07 0.00 -0.99 9.65 -1.81 -2.71 114.38 120.23 1jss h ARG 92 Ca 0.54 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.38 1jss h ARG 92 Cb 1.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.13 1jss h ARG 92 CO 1.21 0.52 -1.19 1.28 2.80 0.00 0.00 179.97 184.59 1jss n LEU 93 N -3.99 0.56 -0.17 3.80 4.77 -1.26 -4.16 117.00 116.54 1jss n LEU 93 Ca -0.02 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 1jss n LEU 93 Cb 0.49 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1jss n LEU 93 CO 0.41 0.03 1.06 -0.78 -1.33 0.00 0.00 177.39 176.77 1jss h ASP 94 N 0.00 0.59 0.02 -1.43 3.58 -1.80 -3.32 116.42 114.07 1jss h ASP 94 Ca 0.00 -0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 1jss h ASP 94 Cb 0.79 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 1jss h ASP 94 CO 0.00 0.46 -2.12 -2.67 -2.88 0.00 0.00 179.24 172.04 1jss n TRP 95 N -4.71 0.02 -2.59 0.28 4.27 -1.23 -4.90 117.44 108.58 1jss n TRP 95 Ca 0.02 0.01 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 1jss n TRP 95 Cb 0.05 -0.68 -0.02 0.00 -1.36 0.00 0.00 31.31 29.29 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 -4.88 6.72 0.51 -0.67 -1.08 -1.25 -4.69 116.67 111.34 1jss s ASP 96 Ca -0.09 0.72 0.28 0.00 -0.52 0.00 0.00 52.55 52.95 1jss s ASP 96 Cb 0.11 -2.55 1.34 0.00 -1.46 0.00 0.00 42.92 40.36 1jss s ASP 96 CO 0.88 -1.13 2.00 0.08 0.52 0.00 0.00 175.17 177.53 1jss h ARG 97 N 8.91 0.00 0.04 4.34 0.11 -1.90 -3.27 114.38 122.60 1jss h ARG 97 Ca -0.22 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.53 1jss h ARG 97 Cb 1.06 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.10 1jss h ARG 97 CO 1.09 0.13 -1.86 -0.11 0.10 0.00 0.00 179.97 179.32 1jss n LEU 98 N -3.45 1.40 -4.71 0.08 7.94 -1.26 -4.87 117.00 112.14 1jss n LEU 98 Ca -0.01 0.31 -0.42 0.00 -1.11 0.00 0.00 56.01 54.78 1jss n LEU 98 Cb 0.30 -0.22 -0.03 0.00 0.53 0.00 0.00 43.42 43.99 1jss n LEU 98 CO 0.30 0.55 0.79 -0.32 -1.11 0.00 0.00 177.39 177.60 1jss s MET 99 N -2.58 4.49 -0.00 1.96 1.75 -1.23 -0.77 119.30 122.92 1jss s MET 99 Ca -0.11 1.58 0.08 0.00 -1.25 0.00 0.00 55.69 55.99 1jss s MET 99 Cb 0.07 -3.42 -0.09 0.00 2.84 0.00 0.00 34.83 34.23 1jss s MET 99 CO 0.80 -0.18 0.34 0.25 -0.65 0.00 0.00 175.02 175.58 1jss n THR 100 N 3.99 0.00 -3.57 10.11 -2.24 -0.62 -4.90 114.28 117.05 1jss n THR 100 Ca 0.08 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 1jss n THR 100 Cb 0.49 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.79 -0.36 -0.16 3.42 1.04 -1.25 -4.95 113.70 109.64 1jss s SER 101 Ca 0.03 0.32 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 1jss s SER 101 Cb 0.06 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1jss s SER 101 CO 0.33 -0.39 0.36 -0.22 0.98 0.00 0.00 173.24 174.30 1jss s LEU 102 N -1.38 -0.24 -0.01 2.42 2.96 -1.26 -2.23 118.68 118.94 1jss s LEU 102 Ca -0.00 0.81 0.05 0.00 -0.22 0.00 0.00 54.13 54.77 1jss s LEU 102 Cb -0.01 1.12 -0.01 0.00 0.50 0.00 0.00 46.19 47.79 1jss s LEU 102 CO -0.00 -0.21 -0.17 -1.81 -1.32 0.00 0.00 176.35 172.84 1jss s ASP 103 N 1.97 2.00 -0.19 3.68 1.01 0.12 -4.98 116.67 120.29 1jss s ASP 103 Ca -0.05 -0.31 -0.15 0.00 0.71 0.00 0.00 52.55 52.76 1jss s ASP 103 Cb -0.11 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 1jss s ASP 103 CO -0.11 0.21 0.34 -0.69 0.21 0.00 0.00 175.17 175.12 1jss s VAL 104 N -0.37 5.25 -0.14 -1.27 1.01 -1.26 -0.37 120.40 123.24 1jss s VAL 104 Ca 0.06 0.61 0.09 0.00 0.00 0.00 0.00 61.98 62.74 1jss s VAL 104 Cb -0.07 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1jss s VAL 104 CO -0.01 0.31 -0.01 0.18 0.00 0.00 0.00 175.10 175.58 1jss n LEU 105 N 4.10 0.84 -3.71 3.92 4.77 0.15 -4.97 117.00 122.09 1jss n LEU 105 Ca -0.10 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1jss n LEU 105 Cb 0.51 0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 1jss n LEU 105 CO 0.40 0.46 0.01 -0.70 -1.33 0.00 0.00 177.39 176.22 1jss s GLU 106 N -2.33 0.35 -0.20 3.23 2.12 -1.05 -5.01 118.70 115.82 1jss s GLU 106 Ca -0.11 0.69 0.01 0.00 0.36 0.00 0.00 54.97 55.92 1jss s GLU 106 Cb 0.05 -0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.46 1jss s GLU 106 CO 0.51 -0.14 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.37 1jss s HIS 107 N 1.19 2.61 0.00 5.30 2.46 -1.26 -1.03 115.29 124.56 1jss s HIS 107 Ca -0.08 -1.69 0.00 0.00 0.47 0.00 0.00 55.06 53.76 1jss s HIS 107 Cb -0.08 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.63 1jss s HIS 107 CO -0.10 -0.77 0.00 1.19 -2.47 0.00 0.00 174.74 172.59 1jss n PHE 108 N 4.64 0.00 -3.64 3.88 3.01 -0.84 -5.01 117.46 119.50 1jss n PHE 108 Ca -0.16 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.10 1jss n PHE 108 Cb 0.47 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 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 0.00 2.75 0.39 -1.08 2.02 -1.22 -4.96 118.70 116.60 1jss s GLU 109 Ca 0.00 -1.30 0.13 0.00 0.02 0.00 0.00 54.97 53.83 1jss s GLU 109 Cb 0.00 -2.53 0.96 0.00 0.10 0.00 0.00 34.13 32.66 1jss s GLU 109 CO 0.00 -0.00 1.86 1.49 0.02 0.00 0.00 175.26 178.63 1jss h GLU 110 N 1.10 0.52 -0.50 1.61 4.81 -2.02 -0.54 114.58 119.56 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 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1jss h GLU 110 CO 0.56 0.34 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 1jss n ASN 111 N -4.55 3.05 -4.07 1.04 5.03 -1.26 -4.77 115.26 109.73 1jss n ASN 111 Ca 0.18 -1.97 -0.32 0.00 0.87 0.00 0.00 54.58 53.35 1jss n ASN 111 Cb 0.59 -0.33 -0.15 0.00 -1.02 0.00 0.00 39.78 38.87 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 -2.73 -0.11 0.33 0.00 1.01 -0.20 -0.90 120.40 117.81 1jss s VAL 114 Ca 0.34 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1jss s VAL 114 Cb 0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1jss s VAL 114 CO 0.18 -0.60 0.10 0.00 0.00 0.00 0.00 175.10 174.78 1jss s MET 115 N 2.14 2.32 -0.04 2.72 0.23 -0.52 0.31 119.30 126.46 1jss s MET 115 Ca 0.08 -1.56 0.00 0.00 -1.03 0.00 0.00 55.69 53.18 1jss s MET 115 Cb -0.16 -2.14 0.03 0.00 -1.53 0.00 0.00 34.83 31.03 1jss s MET 115 CO -0.30 0.15 -0.01 0.50 -2.03 0.00 0.00 175.02 173.33 1jss s ARG 116 N -3.80 0.44 0.04 3.16 3.52 0.50 -1.18 118.95 121.63 1jss s ARG 116 Ca 0.36 0.04 -0.02 0.00 -0.13 0.00 0.00 55.73 55.98 1jss s ARG 116 Cb -0.03 -0.59 -0.03 0.00 -1.56 0.00 0.00 34.95 32.74 1jss s ARG 116 CO 0.22 -0.14 0.01 1.52 -0.81 0.00 0.00 175.30 176.10 1jss s TYR 117 N 1.07 0.38 0.25 5.12 -0.85 -0.55 0.16 117.35 122.93 1jss s TYR 117 Ca -0.09 -0.82 0.11 0.00 -0.52 0.00 0.00 57.07 55.75 1jss s TYR 117 Cb -0.14 -0.28 -0.05 0.00 0.38 0.00 0.00 41.96 41.88 1jss s TYR 117 CO -0.01 -0.35 -0.16 0.95 -1.52 0.00 0.00 175.55 174.45 1jss s THR 118 N -3.15 2.70 -0.02 -3.49 -4.23 -0.95 -0.57 115.64 105.92 1jss s THR 118 Ca -0.00 -2.17 0.05 0.00 -1.18 0.00 0.00 61.69 58.38 1jss s THR 118 Cb 0.02 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 1jss s THR 118 CO -0.07 -0.31 -0.16 0.28 -0.54 0.00 0.00 174.62 173.81 1jss s THR 119 N -2.23 1.31 1.26 3.99 -1.32 -0.15 -1.60 115.64 116.90 1jss s THR 119 Ca 0.28 -0.70 -0.19 0.00 -1.21 0.00 0.00 61.69 59.88 1jss s THR 119 Cb -0.06 -1.10 0.31 0.00 -1.51 0.00 0.00 72.50 70.14 1jss s THR 119 CO 0.15 0.37 1.02 0.00 -2.21 0.00 0.00 174.62 173.96 1jss s ALA 120 N -0.29 -0.08 0.58 11.08 0.00 0.05 -2.05 121.76 131.05 1jss s ALA 120 Ca 0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 1jss s ALA 120 Cb -0.07 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1jss s ALA 120 CO -0.00 -3.96 1.04 0.20 0.00 0.00 0.00 175.76 173.04 1jss s GLY 121 N -3.34 2.12 0.11 0.00 0.00 -1.26 -4.35 107.32 100.60 1jss s GLY 121 Ca 0.69 0.36 0.04 0.00 0.00 0.00 0.00 44.72 45.81 1jss s GLY 121 CO 0.58 0.67 -0.11 1.20 0.00 0.00 0.00 173.10 175.44 1jss s GLN 122 N -4.07 0.93 -1.10 2.90 -0.21 0.31 -4.84 119.66 113.58 1jss s GLN 122 Ca 0.63 -1.24 -0.13 0.00 0.02 0.00 0.00 55.36 54.64 1jss s GLN 122 Cb -0.15 -0.63 -0.04 0.00 1.00 0.00 0.00 33.01 33.19 1jss s GLN 122 CO 0.36 0.10 0.86 1.28 -2.12 0.00 0.00 175.29 175.76 1jss n LEU 123 N 0.37 -4.25 -4.05 2.90 4.77 -1.26 -1.86 117.00 113.61 1jss n LEU 123 Ca -0.15 -0.85 -0.32 0.00 -0.03 0.00 0.00 56.01 54.66 1jss n LEU 123 Cb 0.58 -2.82 -0.00 0.00 -2.33 0.00 0.00 43.42 38.85 1jss n LEU 123 CO 0.28 0.29 0.01 0.18 -1.33 0.00 0.00 177.39 176.82 1jss n LEU 124 N -3.72 -2.16 -0.11 2.23 4.77 -1.26 -0.79 117.00 115.96 1jss n LEU 124 Ca -0.09 -0.91 -0.01 0.00 -0.03 0.00 0.00 56.01 54.97 1jss n LEU 124 Cb 0.61 -2.32 -0.01 0.00 -2.33 0.00 0.00 43.42 39.38 1jss n LEU 124 CO 0.63 0.38 -0.01 0.59 -1.33 0.00 0.00 177.39 177.65 1jss n ASN 125 N -2.78 -4.33 0.18 -1.43 4.13 -0.94 -4.85 115.26 105.24 1jss n ASN 125 Ca 0.01 0.04 0.13 0.00 1.68 0.00 0.00 54.58 56.44 1jss n ASN 125 Cb 0.53 -1.96 0.64 0.00 -1.54 0.00 0.00 39.78 37.45 1jss n ASN 125 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1jss h ILE 126 N 0.00 0.00 -3.26 2.41 2.04 -0.32 -3.36 117.51 115.01 1jss h ILE 126 Ca -0.03 -0.14 -0.51 0.00 1.00 0.00 0.00 64.86 65.18 1jss h ILE 126 Cb 0.48 0.83 -0.38 0.00 -0.74 0.00 0.00 36.82 37.01 1jss h ILE 126 CO 0.04 0.00 -0.78 -0.63 0.00 0.00 0.00 178.15 176.78 1jss s ILE 127 N -3.54 0.82 0.74 -0.67 1.01 -0.78 -4.88 121.20 113.91 1jss s ILE 127 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1jss s ILE 127 Cb 0.08 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.61 1jss s ILE 127 CO 0.33 0.18 1.10 -0.44 0.00 0.00 0.00 174.94 176.11 1jss s SER 128 N 1.77 4.89 0.23 3.58 0.01 -1.26 -0.53 113.70 122.39 1jss s SER 128 Ca 0.03 0.78 -0.31 0.00 1.31 0.00 0.00 55.95 57.75 1jss s SER 128 Cb -0.14 -1.42 -0.14 0.00 0.21 0.00 0.00 66.02 64.53 1jss s SER 128 CO -0.07 -1.63 1.24 -2.65 0.41 0.00 0.00 173.24 170.54 1jss n PRO 129 N -3.09 1.63 -4.20 12.44 -0.02 -1.26 -4.69 135.00 135.80 1jss n PRO 129 Ca 0.07 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.90 1jss n PRO 129 Cb 0.60 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.73 2.33 0.01 -0.52 3.00 -0.87 -2.59 118.95 119.57 1jss s ARG 130 Ca 0.67 -1.50 0.04 0.00 0.00 0.00 0.00 55.73 54.94 1jss s ARG 130 Cb -0.72 -2.16 -0.01 0.00 0.00 0.00 0.00 34.95 32.06 1jss s ARG 130 CO 0.53 0.23 -0.12 -2.00 0.00 0.00 0.00 175.30 173.94 1jss s GLU 131 N -3.76 0.95 -0.00 3.54 2.12 -0.47 -0.98 118.70 120.08 1jss s GLU 131 Ca 0.35 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 55.16 1jss s GLU 131 Cb -0.04 -0.92 -0.00 0.00 0.26 0.00 0.00 34.13 33.42 1jss s GLU 131 CO 0.21 0.24 -0.05 -0.06 -0.54 0.00 0.00 175.26 175.07 1jss s PHE 132 N -0.47 0.43 -0.32 5.30 0.40 0.26 -0.17 117.98 123.41 1jss s PHE 132 Ca 0.03 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1jss s PHE 132 Cb -0.06 -0.28 0.10 0.00 0.51 0.00 0.00 43.02 43.30 1jss s PHE 132 CO 0.00 -0.01 0.08 0.08 0.70 0.00 0.00 175.22 176.07 1jss s VAL 133 N -0.13 1.35 0.19 -0.44 1.01 -1.26 -1.48 120.40 119.64 1jss s VAL 133 Ca 0.02 -1.69 0.09 0.00 0.00 0.00 0.00 61.98 60.40 1jss s VAL 133 Cb -0.02 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1jss s VAL 133 CO -0.00 -0.63 -0.11 -1.81 0.00 0.00 0.00 175.10 172.55 1jss s ASP 134 N 1.38 4.16 0.14 3.32 1.01 -0.33 -1.04 116.67 125.32 1jss s ASP 134 Ca 0.10 -0.62 -0.17 0.00 0.71 0.00 0.00 52.55 52.56 1jss s ASP 134 Cb -0.18 -0.67 -0.07 0.00 1.01 0.00 0.00 42.92 43.01 1jss s ASP 134 CO -0.19 0.10 0.59 0.12 0.21 0.00 0.00 175.17 176.01 1jss s PHE 135 N -1.73 3.69 -0.03 4.23 5.36 0.59 -1.44 117.98 128.65 1jss s PHE 135 Ca 0.25 1.21 0.04 0.00 -0.96 0.00 0.00 56.93 57.46 1jss s PHE 135 Cb -0.09 -2.47 -0.01 0.00 -0.34 0.00 0.00 43.02 40.12 1jss s PHE 135 CO 0.15 0.46 -0.15 0.45 -1.46 0.00 0.00 175.22 174.67 1jss s SER 136 N -1.50 1.84 -0.08 6.13 0.15 -0.08 -2.66 113.70 117.51 1jss s SER 136 Ca 0.36 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1jss s SER 136 Cb -0.17 -0.39 0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1jss s SER 136 CO 0.20 0.15 0.15 -0.47 1.20 0.00 0.00 173.24 174.47 1jss s TYR 137 N -0.09 -0.17 -0.13 3.44 5.04 -0.27 -1.11 117.35 124.05 1jss s TYR 137 Ca 0.00 0.56 0.01 0.00 -2.44 0.00 0.00 57.07 55.21 1jss s TYR 137 Cb -0.09 -0.19 -0.00 0.00 0.35 0.00 0.00 41.96 42.03 1jss s TYR 137 CO 0.01 -0.23 -0.17 0.99 -1.34 0.00 0.00 175.55 174.80 1jss s THR 138 N 1.87 2.57 0.07 4.34 2.01 -0.78 -0.69 115.64 125.02 1jss s THR 138 Ca -0.02 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 1jss s THR 138 Cb -0.12 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 1jss s THR 138 CO -0.06 0.53 0.16 0.54 -0.69 0.00 0.00 174.62 175.10 1jss s VAL 139 N 0.57 0.14 0.47 3.82 0.11 0.53 -4.83 120.40 121.21 1jss s VAL 139 Ca -0.10 -1.17 -0.23 0.00 -2.93 0.00 0.00 61.98 57.55 1jss s VAL 139 Cb -0.16 -1.20 -0.07 0.00 -1.53 0.00 0.00 36.38 33.42 1jss s VAL 139 CO 0.04 -0.65 1.25 -0.83 -3.33 0.00 0.00 175.10 171.58 1jss s GLY 140 N -2.59 2.84 -0.07 6.54 0.00 -1.26 -0.03 107.32 112.74 1jss s GLY 140 Ca 0.02 1.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.82 1jss s GLY 140 CO -0.08 1.61 0.05 -0.47 0.00 0.00 0.00 173.10 174.21 1jss s TYR 141 N -1.41 0.29 0.00 1.90 5.04 -0.35 -4.69 117.35 118.13 1jss s TYR 141 Ca 0.64 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 1jss s TYR 141 Cb -0.34 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 41.34 1jss s TYR 141 CO 0.41 -0.29 0.00 0.39 -1.34 0.00 0.00 175.55 174.72 1jss n GLU 142 N 5.24 0.00 0.00 4.97 -0.58 -1.26 0.12 120.64 129.13 1jss n GLU 142 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1jss n GLU 142 Cb 0.50 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.38 1jss n GLU 142 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1jss n GLU 143 N 4.24 0.31 0.00 3.49 1.02 -1.26 -4.87 120.64 123.56 1jss n GLU 143 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jss n GLU 143 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1jss n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jss n GLY 144 N -0.20 5.29 3.04 0.62 0.00 0.33 -4.60 105.19 109.67 1jss n GLY 144 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 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 2.38 -0.11 0.99 1.43 0.79 -1.21 118.68 122.96 1jss s LEU 145 Ca 0.00 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 1jss s LEU 145 Cb 0.00 0.16 0.02 0.00 0.03 0.00 0.00 46.19 46.39 1jss s LEU 145 CO 0.00 -0.47 -0.13 -0.22 0.23 0.00 0.00 176.35 175.76 1jss s LEU 146 N -2.29 1.62 -0.39 1.79 2.96 0.95 -1.16 118.68 122.16 1jss s LEU 146 Ca -0.03 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1jss s LEU 146 Cb 0.00 -1.01 0.11 0.00 0.50 0.00 0.00 46.19 45.79 1jss s LEU 146 CO -0.06 -0.01 0.13 -0.55 -1.32 0.00 0.00 176.35 174.54 1jss s SER 147 N 1.10 4.47 0.48 3.68 0.15 -0.43 -0.35 113.70 122.81 1jss s SER 147 Ca -0.05 -2.37 0.07 0.00 0.70 0.00 0.00 55.95 54.30 1jss s SER 147 Cb -0.14 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1jss s SER 147 CO -0.03 -0.33 0.36 0.00 1.20 0.00 0.00 173.24 174.44 1jss s GLY 149 N -4.17 -0.36 -0.12 0.00 0.00 -0.05 -1.12 107.32 101.50 1jss s GLY 149 Ca 0.40 0.67 -0.23 0.00 0.00 0.00 0.00 44.72 45.56 1jss s GLY 149 CO 0.24 0.15 0.57 0.54 0.00 0.00 0.00 173.10 174.60 1jss s VAL 150 N -2.67 0.01 0.65 1.40 0.11 -1.09 -1.13 120.40 117.68 1jss s VAL 150 Ca 0.13 -0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 58.93 1jss s VAL 150 Cb 0.02 -0.85 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1jss s VAL 150 CO -0.03 -0.05 1.14 -0.44 -3.33 0.00 0.00 175.10 172.39 1jss s SER 151 N -0.54 5.02 0.21 3.54 0.01 0.10 -0.30 113.70 121.74 1jss s SER 151 Ca -0.07 2.13 0.04 0.00 1.31 0.00 0.00 55.95 59.36 1jss s SER 151 Cb -0.03 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1jss s SER 151 CO 0.05 -1.70 -0.02 0.68 0.41 0.00 0.00 173.24 172.66 1jss s VAL 152 N -2.12 1.05 0.23 3.43 -7.23 -0.21 -4.75 120.40 110.79 1jss s VAL 152 Ca 0.70 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1jss s VAL 152 Cb -0.23 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 1jss s VAL 152 CO 0.39 -0.42 1.35 -0.70 -0.31 0.00 0.00 175.10 175.41 1jss s GLU 153 N -3.84 4.35 -0.20 4.82 2.56 -1.26 -4.78 118.70 120.34 1jss s GLU 153 Ca 0.26 2.15 -0.07 0.00 0.00 0.00 0.00 54.97 57.30 1jss s GLU 153 Cb 0.05 -3.15 0.09 0.00 2.00 0.00 0.00 34.13 33.12 1jss s GLU 153 CO 0.07 -0.29 0.43 -0.46 -0.56 0.00 0.00 175.26 174.45 1jss s TRP 154 N -0.09 -0.81 0.00 5.30 -0.11 -1.26 -5.08 118.94 116.89 1jss s TRP 154 Ca 0.56 1.55 -0.25 0.00 1.22 0.00 0.00 56.10 59.18 1jss s TRP 154 Cb -0.38 0.32 -0.19 0.00 -1.50 0.00 0.00 33.47 31.72 1jss s TRP 154 CO 0.41 -0.49 1.36 0.77 -4.62 0.00 0.00 176.95 174.39 1jss h SER 155 N 8.14 -0.01 -1.54 5.86 0.02 -2.04 -3.44 113.55 120.55 1jss h SER 155 Ca -0.16 -0.38 -0.67 0.00 -0.84 0.00 0.00 61.79 59.73 1jss h SER 155 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1jss h SER 155 CO 0.12 0.38 1.17 1.21 -1.14 0.00 0.00 176.83 178.58 1jss n GLU 156 N -4.91 1.46 -4.35 3.45 2.13 -1.26 -4.93 120.64 112.24 1jss n GLU 156 Ca -0.08 0.49 -0.29 0.00 0.66 0.00 0.00 57.16 57.95 1jss n GLU 156 Cb 0.20 -2.43 -0.12 0.00 0.27 0.00 0.00 31.44 29.36 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 5.25 2.60 -0.07 6.31 -4.23 -1.26 -5.14 115.64 119.10 1jss s THR 157 Ca 1.01 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 1jss s THR 157 Cb -0.86 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 70.80 1jss s THR 157 CO 0.55 0.04 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.43 1jss s ARG 158 N -2.27 1.61 0.57 3.99 0.52 -1.26 -5.03 118.95 117.08 1jss s ARG 158 Ca 0.18 -0.37 0.26 0.00 -0.52 0.00 0.00 55.73 55.28 1jss s ARG 158 Cb -0.10 -1.37 1.68 0.00 0.52 0.00 0.00 34.95 35.67 1jss s ARG 158 CO 0.09 -0.01 2.22 -1.00 0.02 0.00 0.00 175.30 176.62 1jss h PRO 159 N 7.11 0.00 0.00 3.54 0.13 -2.03 -2.01 132.00 138.73 1jss h PRO 159 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1jss h PRO 159 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jss h PRO 159 CO 0.47 0.00 -0.09 1.49 -0.23 0.00 0.00 178.00 179.64 1jss h GLU 160 N 0.00 0.00 -5.18 0.86 4.81 -1.98 -3.43 114.58 109.66 1jss h GLU 160 Ca 0.01 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.69 1jss h GLU 160 Cb 0.05 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.12 1jss h GLU 160 CO -0.00 0.09 -0.83 -0.06 -0.73 0.00 0.00 179.01 177.48 1jss s PHE 161 N -3.72 1.65 0.00 0.92 0.40 -0.76 -4.69 117.98 111.79 1jss s PHE 161 Ca 0.00 -0.49 -0.24 0.00 -0.60 0.00 0.00 56.93 55.61 1jss s PHE 161 Cb 0.10 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.46 1jss s PHE 161 CO 0.58 -0.18 0.72 0.54 0.70 0.00 0.00 175.22 177.58 1jss s VAL 162 N 0.12 4.86 -0.27 -0.44 0.11 -1.07 -4.58 120.40 119.12 1jss s VAL 162 Ca -0.05 1.52 -0.29 0.00 -2.93 0.00 0.00 61.98 60.23 1jss s VAL 162 Cb -0.12 -4.07 0.01 0.00 -1.53 0.00 0.00 36.38 30.67 1jss s VAL 162 CO 0.02 0.34 1.15 -0.60 -3.33 0.00 0.00 175.10 172.68 1jss s ARG 163 N 0.20 4.09 0.72 1.54 3.52 -1.26 -1.37 118.95 126.38 1jss s ARG 163 Ca 0.37 1.26 -0.07 0.00 -0.13 0.00 0.00 55.73 57.16 1jss s ARG 163 Cb -0.19 -3.76 0.06 0.00 -1.56 0.00 0.00 34.95 29.50 1jss s ARG 163 CO 0.21 -0.87 1.04 0.20 -0.81 0.00 0.00 175.30 175.06 1jss s GLY 164 N 1.88 1.68 -0.06 8.12 0.00 0.76 -4.72 107.32 114.97 1jss s GLY 164 Ca 0.49 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.31 1jss s GLY 164 CO 0.15 -0.48 -0.02 -0.47 0.00 0.00 0.00 173.10 172.29 1jss s TYR 165 N -3.29 0.71 -0.26 1.90 5.04 -0.31 -4.70 117.35 116.42 1jss s TYR 165 Ca 0.60 -0.20 -0.12 0.00 -2.44 0.00 0.00 57.07 54.91 1jss s TYR 165 Cb -0.11 -0.76 -0.05 0.00 0.35 0.00 0.00 41.96 41.40 1jss s TYR 165 CO 0.45 -0.28 0.25 -0.80 -1.34 0.00 0.00 175.55 173.83 1jss s ASN 166 N 1.58 6.13 0.81 4.32 0.01 -1.26 -0.76 114.94 125.78 1jss s ASN 166 Ca -0.01 0.14 -0.10 0.00 -0.71 0.00 0.00 52.86 52.18 1jss s ASN 166 Cb -0.13 -2.15 0.12 0.00 0.41 0.00 0.00 41.25 39.50 1jss s ASN 166 CO -0.04 -0.07 1.15 -1.00 -1.51 0.00 0.00 177.10 175.63 1jss s HIS 167 N 1.71 2.31 -0.03 2.20 3.76 -0.59 0.00 115.29 124.65 1jss s HIS 167 Ca 0.10 0.37 -0.38 0.00 -0.15 0.00 0.00 55.06 55.00 1jss s HIS 167 Cb -0.15 -3.53 -0.19 0.00 1.11 0.00 0.00 32.58 29.81 1jss s HIS 167 CO 0.09 -1.93 1.04 -2.30 -0.85 0.00 0.00 174.74 170.79 1jss n PRO 168 N -3.27 0.00 -3.95 8.40 -0.02 -1.26 -4.48 135.00 130.42 1jss n PRO 168 Ca 0.11 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.50 1jss n PRO 168 Cb 0.60 -1.40 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 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 -0.28 1.37 3.29 0.00 0.00 0.41 -0.87 105.19 109.10 1jss n GLY 170 Ca -0.06 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 2.79 -0.14 1.61 0.52 -0.27 -0.69 118.94 120.76 1jss s TRP 171 Ca 0.00 -0.94 -0.06 0.00 0.02 0.00 0.00 56.10 55.12 1jss s TRP 171 Cb 0.00 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1jss s TRP 171 CO 0.00 -0.41 0.07 -0.06 0.02 0.00 0.00 176.95 176.58 1jss s PHE 172 N 0.71 3.35 -0.07 -1.98 0.40 0.26 -1.31 117.98 119.34 1jss s PHE 172 Ca -0.07 0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 56.50 1jss s PHE 172 Cb -0.16 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.45 1jss s PHE 172 CO 0.02 0.43 0.12 0.00 0.70 0.00 0.00 175.22 176.49 1jss s VAL 174 N 2.20 0.45 0.58 0.00 -7.23 -0.98 -0.15 120.40 115.27 1jss s VAL 174 Ca 0.03 -1.33 -0.19 0.00 -1.81 0.00 0.00 61.98 58.68 1jss s VAL 174 Cb -0.12 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 1jss s VAL 174 CO -0.05 -0.59 1.03 -2.65 -0.31 0.00 0.00 175.10 172.54 1jss n PRO 175 N 0.99 1.06 -2.60 4.82 -0.02 -1.26 -0.01 135.00 137.98 1jss n PRO 175 Ca -0.20 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1jss n PRO 175 Cb 0.57 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1jss n PRO 175 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jss s LEU 176 N -2.14 4.39 0.00 2.45 2.96 -0.82 -4.55 118.68 120.97 1jss s LEU 176 Ca 0.74 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 1jss s LEU 176 Cb -0.43 -3.88 0.00 0.00 0.50 0.00 0.00 46.19 42.38 1jss s LEU 176 CO 0.48 -0.20 0.00 1.17 -1.32 0.00 0.00 176.35 176.49 1jss n LYS 177 N 0.70 0.00 -0.68 1.98 4.81 -1.26 -1.43 118.16 122.27 1jss n LYS 177 Ca 0.01 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.46 1jss n LYS 177 Cb 0.48 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.73 1jss n LYS 177 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jss n ASP 178 N 0.00 2.14 -3.81 3.14 9.92 -1.26 -4.87 116.55 121.81 1jss n ASP 178 Ca 0.00 -3.80 -0.30 0.00 -0.53 0.00 0.00 54.79 50.16 1jss n ASP 178 Cb 0.00 -0.58 -0.13 0.00 -0.64 0.00 0.00 41.12 39.77 1jss n ASP 178 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1jss s SER 179 N -2.86 3.92 0.56 -2.24 0.15 -0.52 -4.98 113.70 107.72 1jss s SER 179 Ca 0.41 -2.79 0.24 0.00 0.70 0.00 0.00 55.95 54.51 1jss s SER 179 Cb 0.38 -1.28 1.52 0.00 -1.71 0.00 0.00 66.02 64.93 1jss s SER 179 CO -0.03 -0.25 2.13 1.55 1.20 0.00 0.00 173.24 177.84 1jss h PRO 180 N 6.63 0.00 0.00 5.44 0.13 -1.90 -1.78 132.00 140.52 1jss h PRO 180 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1jss h PRO 180 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1jss h PRO 180 CO 0.57 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.79 1jss n SER 181 N -4.16 0.00 -4.66 1.44 2.88 -1.26 -4.77 113.62 103.09 1jss n SER 181 Ca 0.01 0.25 -0.32 0.00 -1.33 0.00 0.00 58.87 57.48 1jss n SER 181 Cb 0.24 -0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 63.21 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 -2.82 2.14 0.10 -1.46 -0.21 -0.67 -2.76 119.66 113.98 1jss s GLN 182 Ca 0.18 -2.35 -0.22 0.00 0.02 0.00 0.00 55.36 52.99 1jss s GLN 182 Cb 0.17 -1.41 0.06 0.00 1.00 0.00 0.00 33.01 32.82 1jss s GLN 182 CO 0.44 -0.35 0.53 -1.54 -2.12 0.00 0.00 175.29 172.26 1jss s SER 183 N -3.83 -0.46 -0.26 5.90 1.04 -1.05 -1.94 113.70 113.11 1jss s SER 183 Ca 0.11 0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.47 1jss s SER 183 Cb 0.02 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1jss s SER 183 CO 0.06 -0.84 0.14 -0.22 0.98 0.00 0.00 173.24 173.37 1jss s LEU 184 N -2.40 3.85 -0.35 2.42 2.96 0.99 -1.37 118.68 124.78 1jss s LEU 184 Ca -0.01 -0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 53.74 1jss s LEU 184 Cb -0.00 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1jss s LEU 184 CO -0.08 -0.02 0.18 -0.22 -1.32 0.00 0.00 176.35 174.90 1jss s LEU 185 N 1.55 4.47 -0.13 -0.68 2.96 -0.35 -2.33 118.68 124.19 1jss s LEU 185 Ca 0.07 -0.84 0.02 0.00 -0.22 0.00 0.00 54.13 53.16 1jss s LEU 185 Cb -0.15 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 1jss s LEU 185 CO 0.07 -0.31 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.71 1jss s THR 186 N 1.57 2.43 0.09 3.68 2.01 0.82 -2.27 115.64 123.96 1jss s THR 186 Ca 0.03 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.24 1jss s THR 186 Cb -0.18 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1jss s THR 186 CO 0.06 0.54 -0.22 -0.83 -0.69 0.00 0.00 174.62 173.48 1jss s GLY 187 N 0.52 1.26 -0.15 4.40 0.00 0.15 0.90 107.32 114.41 1jss s GLY 187 Ca -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1jss s GLY 187 CO 0.05 -1.19 -0.13 -0.19 0.00 0.00 0.00 173.10 171.63 1jss s TYR 188 N -1.02 2.09 -0.11 1.90 1.51 0.14 -0.91 117.35 120.95 1jss s TYR 188 Ca 0.08 -1.19 0.03 0.00 -1.01 0.00 0.00 57.07 54.98 1jss s TYR 188 Cb -0.10 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1jss s TYR 188 CO 0.04 -0.66 -0.20 0.42 -1.11 0.00 0.00 175.55 174.04 1jss s ILE 189 N 1.51 1.80 -0.48 2.71 -1.09 -0.65 -0.44 121.20 124.55 1jss s ILE 189 Ca 0.04 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 57.70 1jss s ILE 189 Cb -0.13 -1.60 0.31 0.00 -1.58 0.00 0.00 42.46 39.46 1jss s ILE 189 CO -0.10 0.50 0.75 1.67 -1.23 0.00 0.00 174.94 176.53 1jss n GLN 190 N 3.90 1.83 -3.25 2.79 7.27 -1.26 0.27 117.38 128.94 1jss n GLN 190 Ca -0.20 -4.00 -0.38 0.00 0.07 0.00 0.00 57.00 52.49 1jss n GLN 190 Cb 0.52 -1.85 -0.06 0.00 2.41 0.00 0.00 30.24 31.26 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 -2.73 4.70 -0.48 1.69 2.01 -1.26 -1.53 115.64 118.04 1jss s THR 191 Ca 0.41 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.66 1jss s THR 191 Cb 0.25 -3.91 0.13 0.00 0.01 0.00 0.00 72.50 68.98 1jss s THR 191 CO -0.09 0.53 0.24 -0.62 -0.69 0.00 0.00 174.62 173.99 1jss s ASP 192 N -1.16 4.91 0.00 3.53 -1.08 0.06 -4.84 116.67 118.09 1jss s ASP 192 Ca 0.30 -2.51 0.00 0.00 -0.52 0.00 0.00 52.55 49.82 1jss s ASP 192 Cb -0.20 -1.74 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 1jss s ASP 192 CO 0.20 -0.38 0.99 0.18 0.52 0.00 0.00 175.17 176.67 1jss n LEU 193 N 3.87 0.00 0.00 -1.34 4.77 -1.26 -1.17 117.00 121.87 1jss n LEU 193 Ca 0.04 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1jss n LEU 193 Cb 0.38 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1jss n LEU 193 CO 0.31 -0.49 0.00 0.54 -1.33 0.00 0.00 177.39 176.42 1jss n ARG 194 N -1.49 0.00 0.00 3.23 5.12 -1.26 -4.56 116.66 117.70 1jss n ARG 194 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1jss n ARG 194 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 1.86 2.59 -0.13 0.00 -1.26 -4.48 105.19 103.77 1jss n GLY 195 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 0.15 -0.02 1.61 -1.94 -1.26 -5.11 119.30 112.72 1jss s MET 196 Ca 0.00 -0.30 0.02 0.00 -1.71 0.00 0.00 55.69 53.71 1jss s MET 196 Cb 0.00 -1.37 0.00 0.00 2.01 0.00 0.00 34.83 35.47 1jss s MET 196 CO 0.00 -0.87 -0.07 0.42 -0.01 0.00 0.00 175.02 174.48 1jss s ILE 197 N 2.15 0.65 0.45 2.53 1.01 -1.26 -5.05 121.20 121.67 1jss s ILE 197 Ca 0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 1jss s ILE 197 Cb -0.16 -0.59 -0.08 0.00 0.01 0.00 0.00 42.46 41.64 1jss s ILE 197 CO -0.25 0.21 1.41 -2.84 0.00 0.00 0.00 174.94 173.47 1jss s PRO 198 N 0.20 3.71 0.46 2.79 0.02 -1.26 -4.82 135.00 136.09 1jss s PRO 198 Ca -0.03 2.37 0.13 0.00 0.02 0.00 0.00 61.00 63.50 1jss s PRO 198 Cb -0.08 -2.66 1.07 0.00 0.02 0.00 0.00 34.50 32.86 1jss s PRO 198 CO 0.00 -0.78 2.06 1.96 -0.33 0.00 0.00 177.00 179.90 1jss h GLN 199 N 2.34 0.30 -0.47 5.54 1.08 -2.00 -1.83 115.11 120.08 1jss h GLN 199 Ca -0.51 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.67 1jss h GLN 199 Cb 1.26 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.60 1jss h GLN 199 CO 0.61 0.20 0.25 0.66 -0.95 0.00 0.00 178.83 179.60 1jss h SER 200 N 0.31 0.56 0.52 1.46 4.64 -2.00 0.68 113.55 119.72 1jss h SER 200 Ca 0.15 -0.04 -0.30 0.00 -0.47 0.00 0.00 61.79 61.14 1jss h SER 200 Cb 0.22 -0.14 0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1jss h SER 200 CO -0.03 0.46 -1.32 0.00 -0.87 0.00 0.00 176.83 175.07 1jss h ALA 201 N 1.64 0.01 -0.36 5.18 0.00 -1.73 -2.98 119.26 121.02 1jss h ALA 201 Ca 0.17 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1jss h ALA 201 Cb 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jss h ALA 201 CO -0.03 0.88 0.14 0.28 0.00 0.00 0.00 179.25 180.53 1jss h VAL 202 N 0.10 1.19 0.21 0.00 2.07 -0.91 -0.03 116.25 118.89 1jss h VAL 202 Ca -0.17 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1jss h VAL 202 Cb 2.04 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1jss h VAL 202 CO 0.23 0.21 -0.24 0.44 0.02 0.00 0.00 177.57 178.23 1jss h ASP 203 N 0.44 -0.64 0.16 0.57 3.32 -0.96 0.37 116.42 119.69 1jss h ASP 203 Ca 0.12 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1jss h ASP 203 Cb 0.19 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1jss h ASP 203 CO -0.01 -0.34 -0.25 0.74 -1.72 0.00 0.00 179.24 177.66 1jss h THR 204 N -0.49 0.45 -0.20 0.35 2.02 -1.44 -1.59 112.91 112.02 1jss h THR 204 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1jss h THR 204 Cb 0.47 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1jss h THR 204 CO -0.07 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.65 1jss h ALA 205 N 0.24 -0.04 -0.53 6.16 0.00 -0.78 -0.82 119.26 123.50 1jss h ALA 205 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jss h ALA 205 Cb 0.48 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jss h ALA 205 CO -0.11 -0.60 0.24 0.52 0.00 0.00 0.00 179.25 179.30 1jss h MET 206 N -0.18 0.77 -0.65 0.00 2.07 -0.81 0.24 114.93 116.37 1jss h MET 206 Ca 0.12 -0.12 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1jss h MET 206 Cb 0.36 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 1jss h MET 206 CO -0.30 0.65 0.36 0.00 1.07 0.00 0.00 176.91 178.69 1jss h ALA 207 N 1.08 0.84 -0.06 6.32 0.00 -1.00 -2.48 119.26 123.96 1jss h ALA 207 Ca 0.18 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1jss h ALA 207 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1jss h ALA 207 CO -0.02 0.35 -0.64 0.77 0.00 0.00 0.00 179.25 179.71 1jss h SER 208 N 0.89 0.28 -0.77 0.00 0.02 -0.92 -2.68 113.55 110.38 1jss h SER 208 Ca 0.23 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1jss h SER 208 Cb 0.04 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1jss h SER 208 CO -0.04 0.85 0.44 0.74 -1.14 0.00 0.00 176.83 177.68 1jss h THR 209 N 0.18 1.23 -0.27 -2.27 2.02 -0.18 -0.62 112.91 113.00 1jss h THR 209 Ca -0.01 -0.53 -0.18 0.00 0.77 0.00 0.00 66.41 66.46 1jss h THR 209 Cb 1.17 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1jss h THR 209 CO 0.10 0.24 -0.53 -0.07 0.37 0.00 0.00 175.52 175.63 1jss h LEU 210 N 1.06 0.93 -0.24 2.58 4.07 -1.44 -1.64 115.31 120.64 1jss h LEU 210 Ca 0.27 -0.54 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 1jss h LEU 210 Cb 0.00 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 1jss h LEU 210 CO -0.05 1.30 0.06 0.00 -1.08 0.00 0.00 178.44 178.67 1jss h ALA 211 N 0.66 0.31 -0.05 1.53 0.00 -1.29 -2.87 119.26 117.55 1jss h ALA 211 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1jss h ALA 211 Cb 1.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1jss h ALA 211 CO 0.12 -0.04 -0.29 -0.91 0.00 0.00 0.00 179.25 178.13 1jss h ASN 212 N 0.21 0.08 -0.89 0.00 2.35 -1.13 -2.68 115.58 113.52 1jss h ASN 212 Ca 0.08 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1jss h ASN 212 Cb 0.26 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 1jss h ASN 212 CO -0.00 0.37 0.59 0.15 -1.65 0.00 0.00 177.43 176.89 1jss h PHE 213 N 0.08 1.10 -0.24 1.19 3.57 -1.07 0.17 116.94 121.73 1jss h PHE 213 Ca 0.01 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 1jss h PHE 213 Cb 0.55 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1jss h PHE 213 CO 0.00 0.66 -0.43 1.88 -2.23 0.00 0.00 178.31 178.19 1jss h TYR 214 N 1.16 0.91 0.70 0.41 -1.99 -1.38 0.71 116.97 117.49 1jss h TYR 214 Ca 0.34 -0.32 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 1jss h TYR 214 Cb -0.04 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 38.51 1jss h TYR 214 CO -0.00 1.10 -0.42 0.77 -0.00 0.00 0.00 178.16 179.61 1jss h SER 215 N 0.45 -1.05 -0.35 3.88 0.02 -1.22 -1.26 113.55 114.01 1jss h SER 215 Ca 0.01 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1jss h SER 215 Cb 1.03 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 63.82 1jss h SER 215 CO 0.10 -0.66 0.01 0.44 -1.14 0.00 0.00 176.83 175.58 1jss h ASP 216 N -1.05 -0.12 -0.84 3.07 3.32 -0.70 -2.22 116.42 117.88 1jss h ASP 216 Ca -0.09 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.13 1jss h ASP 216 Cb 0.84 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 1jss h ASP 216 CO 0.10 -0.03 0.49 0.25 -1.72 0.00 0.00 179.24 178.34 1jss h LEU 217 N 0.11 0.72 -1.61 1.55 5.85 -0.75 0.17 115.31 121.35 1jss h LEU 217 Ca 0.17 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1jss h LEU 217 Cb 0.23 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1jss h LEU 217 CO -0.28 0.42 -0.20 0.03 -0.34 0.00 0.00 178.44 178.08 1jss h ARG 218 N 0.84 0.00 0.14 1.25 3.08 -0.64 -2.03 114.38 117.02 1jss h ARG 218 Ca 0.39 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.15 1jss h ARG 218 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.39 1jss h ARG 218 CO -0.23 0.20 -1.27 0.87 -1.07 0.00 0.00 179.97 178.47 1jss h LYS 219 N 0.00 0.48 -0.38 0.04 1.57 -0.67 -3.15 116.57 114.45 1jss h LYS 219 Ca -0.00 -0.70 -0.03 0.00 -1.87 0.00 0.00 60.65 58.04 1jss h LYS 219 Cb 0.35 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1jss h LYS 219 CO 0.03 1.32 0.10 0.78 -0.57 0.00 0.00 179.45 181.10 1jss h GLY 220 N 0.76 0.60 2.00 3.86 0.00 -0.63 0.52 103.07 110.17 1jss h GLY 220 Ca -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1jss h GLY 220 CO 0.23 0.29 0.00 1.41 0.00 0.00 0.00 176.54 178.47 1jss h LEU 221 N 0.55 0.00 0.00 3.11 3.38 -1.43 -3.50 115.31 117.42 1jss h LEU 221 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jss h LEU 221 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jss h LEU 221 CO -0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07