#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxp s THR 4 N 0.00 0.54 0.12 1.39 -4.23 -1.26 -4.89 115.64 107.31 1jxp s THR 4 Ca 0.00 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1jxp s THR 4 Cb 0.00 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1jxp s THR 4 CO 0.00 -0.50 -0.08 0.00 -0.54 0.00 0.00 174.62 173.50 1jxp s ALA 5 N -1.89 1.17 -0.11 3.99 0.00 -1.26 -5.12 121.76 118.53 1jxp s ALA 5 Ca -0.06 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 1jxp s ALA 5 Cb -0.07 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1jxp s ALA 5 CO -0.01 -0.17 0.29 1.52 0.00 0.00 0.00 175.76 177.39 1jxp s TYR 6 N -3.42 -0.32 0.58 0.00 1.13 -1.26 -4.78 117.35 109.28 1jxp s TYR 6 Ca 0.13 0.78 -0.08 0.00 -1.41 0.00 0.00 57.07 56.48 1jxp s TYR 6 Cb 0.04 0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.98 1jxp s TYR 6 CO -0.02 -0.15 0.94 -1.54 -2.51 0.00 0.00 175.55 172.27 1jxp s SER 7 N 0.16 6.03 -0.22 -0.18 1.04 -1.26 -4.96 113.70 114.31 1jxp s SER 7 Ca -0.00 1.12 -0.09 0.00 0.48 0.00 0.00 55.95 57.45 1jxp s SER 7 Cb -0.02 -2.21 0.09 0.00 0.10 0.00 0.00 66.02 63.99 1jxp s SER 7 CO 0.00 -0.88 0.50 -1.58 0.98 0.00 0.00 173.24 172.27 1jxp s GLN 8 N -5.04 0.44 -0.07 4.02 0.74 -1.26 -5.11 119.66 113.38 1jxp s GLN 8 Ca 0.53 1.10 -0.22 0.00 0.05 0.00 0.00 55.36 56.81 1jxp s GLN 8 Cb -0.11 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 1jxp s GLN 8 CO 0.49 -0.21 0.66 -1.14 -0.55 0.00 0.00 175.29 174.54 1jxp s GLN 9 N 2.31 4.42 -0.01 1.67 0.74 -1.26 -4.95 119.66 122.58 1jxp s GLN 9 Ca -0.05 0.80 0.11 0.00 0.05 0.00 0.00 55.36 56.27 1jxp s GLN 9 Cb -0.10 -3.44 -0.14 0.00 1.10 0.00 0.00 33.01 30.43 1jxp s GLN 9 CO -0.15 0.11 0.39 0.25 -0.55 0.00 0.00 175.29 175.34 1jxp n THR 10 N 3.66 0.00 -3.78 -0.34 -2.24 -1.26 -5.04 114.28 105.28 1jxp n THR 10 Ca -0.03 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1jxp n THR 10 Cb 0.51 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 1jxp n THR 10 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jxp s ARG 11 N -2.30 0.49 0.00 -0.78 0.52 -1.26 -5.10 118.95 110.51 1jxp s ARG 11 Ca 0.01 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 1jxp s ARG 11 Cb 0.08 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.77 1jxp s ARG 11 CO 0.46 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.09 1jxp n GLY 12 N 2.13 1.66 0.34 -3.53 0.00 -1.26 -4.86 105.19 99.67 1jxp n GLY 12 Ca -0.17 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 1jxp n GLY 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jxp h LEU 13 N 0.00 -0.69 -0.85 0.99 5.85 -2.02 -2.81 115.31 115.77 1jxp h LEU 13 Ca 0.00 -0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.87 1jxp h LEU 13 Cb 0.00 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.10 1jxp h LEU 13 CO 0.00 -0.34 0.39 0.25 -0.34 0.00 0.00 178.44 178.40 1jxp h LEU 14 N -1.09 0.39 0.50 2.25 6.46 -2.00 -2.26 115.31 119.56 1jxp h LEU 14 Ca -0.08 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1jxp h LEU 14 Cb 0.68 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1jxp h LEU 14 CO 0.14 0.10 -0.31 1.23 -0.62 0.00 0.00 178.44 178.97 1jxp h GLY 15 N 0.49 -0.82 0.98 3.75 0.00 -1.93 -1.69 103.07 103.85 1jxp h GLY 15 Ca 0.50 0.35 0.01 0.00 0.00 0.00 0.00 47.33 48.19 1jxp h GLY 15 CO -0.45 -0.30 0.50 0.00 0.00 0.00 0.00 176.54 176.29 1jxp h ILE 17 N 1.01 1.23 -0.01 0.00 3.07 -1.28 0.24 117.51 121.77 1jxp h ILE 17 Ca 0.28 -0.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.93 1jxp h ILE 17 Cb -0.09 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 1jxp h ILE 17 CO -0.07 0.27 -0.02 0.40 -1.05 0.00 0.00 178.15 177.69 1jxp h ILE 18 N 0.61 1.47 0.00 0.16 2.04 -1.19 -2.34 117.51 118.26 1jxp h ILE 18 Ca 0.15 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1jxp h ILE 18 Cb 0.28 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1jxp h ILE 18 CO -0.00 0.37 0.00 0.74 0.00 0.00 0.00 178.15 179.26 1jxp h THR 19 N -0.56 0.00 0.00 -0.27 2.02 -0.92 -1.58 112.91 111.60 1jxp h THR 19 Ca -0.00 -0.05 -0.29 0.00 0.77 0.00 0.00 66.41 66.84 1jxp h THR 19 Cb 0.62 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1jxp h THR 19 CO 0.00 0.00 -1.85 -0.24 0.37 0.00 0.00 175.52 173.81 1jxp n SER 20 N -2.62 0.64 0.21 4.18 2.88 0.84 -2.44 113.62 117.30 1jxp n SER 20 Ca -0.02 0.30 -0.08 0.00 -1.33 0.00 0.00 58.87 57.74 1jxp n SER 20 Cb 0.08 0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 1jxp n SER 20 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1jxp h LEU 21 N 0.00 -0.47 -0.57 2.46 6.46 -0.74 -3.33 115.31 119.12 1jxp h LEU 21 Ca -0.33 0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.32 1jxp h LEU 21 Cb 2.00 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 42.04 1jxp h LEU 21 CO 0.06 -0.23 -0.25 0.71 -0.62 0.00 0.00 178.44 178.11 1jxp h THR 22 N -0.76 1.27 0.00 1.05 1.35 -1.63 -3.47 112.91 110.72 1jxp h THR 22 Ca -0.06 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1jxp h THR 22 Cb 0.42 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1jxp h THR 22 CO 0.09 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1jxp n GLY 23 N -0.12 0.46 3.18 5.82 0.00 -1.02 -4.65 105.19 108.85 1jxp n GLY 23 Ca -0.00 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 1jxp n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jxp s ARG 24 N -2.20 2.29 -0.35 1.61 3.52 -1.24 -1.98 118.95 120.61 1jxp s ARG 24 Ca 0.00 -1.63 0.00 0.00 -0.13 0.00 0.00 55.73 53.97 1jxp s ARG 24 Cb 0.00 -3.62 0.09 0.00 -1.56 0.00 0.00 34.95 29.86 1jxp s ARG 24 CO 0.00 -0.99 0.08 0.34 -0.81 0.00 0.00 175.30 173.92 1jxp s ASP 25 N 1.92 4.93 -0.36 -2.12 2.15 -0.25 -4.74 116.67 118.20 1jxp s ASP 25 Ca 0.05 -1.87 0.03 0.00 0.43 0.00 0.00 52.55 51.18 1jxp s ASP 25 Cb -0.23 -1.71 0.52 0.00 -0.30 0.00 0.00 42.92 41.20 1jxp s ASP 25 CO -0.02 -0.40 1.73 0.29 -0.17 0.00 0.00 175.17 176.61 1jxp n LYS 26 N 4.46 1.99 -3.51 4.34 5.02 -1.26 -1.58 118.16 127.62 1jxp n LYS 26 Ca -0.03 -2.37 -0.38 0.00 -2.02 0.00 0.00 58.31 53.51 1jxp n LYS 26 Cb 0.42 -1.93 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 1jxp n LYS 26 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jxp s ASN 27 N -0.81 6.72 -0.11 4.39 0.02 -1.26 -5.04 114.94 118.85 1jxp s ASN 27 Ca 0.45 0.86 -0.30 0.00 -1.02 0.00 0.00 52.86 52.85 1jxp s ASN 27 Cb 0.38 -2.23 -0.01 0.00 0.02 0.00 0.00 41.25 39.40 1jxp s ASN 27 CO 0.08 0.26 1.06 -1.58 0.02 0.00 0.00 177.10 176.94 1jxp s GLN 28 N -0.67 4.39 0.25 -0.60 0.74 -1.26 -4.92 119.66 117.58 1jxp s GLN 28 Ca 0.23 1.46 -0.30 0.00 0.05 0.00 0.00 55.36 56.79 1jxp s GLN 28 Cb -0.16 -3.56 -0.09 0.00 1.10 0.00 0.00 33.01 30.30 1jxp s GLN 28 CO 0.11 -0.39 1.10 0.08 -0.55 0.00 0.00 175.29 175.65 1jxp s VAL 29 N 2.22 3.58 0.05 1.34 1.01 -1.26 -5.06 120.40 122.28 1jxp s VAL 29 Ca 0.50 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 1jxp s VAL 29 Cb -0.19 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1jxp s VAL 29 CO 0.17 0.33 -0.03 -1.61 0.00 0.00 0.00 175.10 173.96 1jxp s GLU 30 N -1.12 0.59 0.20 2.72 2.02 -1.26 -4.21 118.70 117.64 1jxp s GLU 30 Ca 0.46 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1jxp s GLU 30 Cb -0.31 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.10 1jxp s GLU 30 CO 0.39 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.98 1jxp n GLY 31 N 0.25 -2.42 0.11 -1.39 0.00 -1.26 -4.76 105.19 95.71 1jxp n GLY 31 Ca -0.15 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.59 1jxp n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jxp h GLU 32 N -0.54 0.00 -5.27 1.61 3.07 -1.95 -3.36 114.58 108.14 1jxp h GLU 32 Ca -0.05 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.14 1jxp h GLU 32 Cb 0.52 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 28.12 1jxp h GLU 32 CO 0.02 0.18 -0.83 0.54 -1.40 0.00 0.00 179.01 177.52 1jxp s VAL 33 N -3.10 2.42 -0.12 3.13 0.11 -1.26 -2.18 120.40 119.40 1jxp s VAL 33 Ca -0.01 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1jxp s VAL 33 Cb 0.09 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 1jxp s VAL 33 CO 0.79 0.54 0.04 -1.10 -3.33 0.00 0.00 175.10 172.04 1jxp s GLN 34 N 0.56 3.35 -0.43 1.54 -1.52 0.18 -4.91 119.66 118.44 1jxp s GLN 34 Ca -0.11 -0.35 -0.23 0.00 -1.95 0.00 0.00 55.36 52.72 1jxp s GLN 34 Cb -0.16 -2.98 0.02 0.00 -0.22 0.00 0.00 33.01 29.67 1jxp s GLN 34 CO 0.04 0.59 0.77 0.08 -0.25 0.00 0.00 175.29 176.51 1jxp s VAL 35 N -0.53 4.69 0.21 1.09 1.01 -1.26 0.12 120.40 125.73 1jxp s VAL 35 Ca 0.10 0.51 0.10 0.00 0.00 0.00 0.00 61.98 62.68 1jxp s VAL 35 Cb -0.12 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1jxp s VAL 35 CO 0.02 -0.63 -0.10 0.68 0.00 0.00 0.00 175.10 175.07 1jxp s VAL 36 N 3.19 3.09 0.04 2.92 -7.23 -0.78 -4.98 120.40 116.65 1jxp s VAL 36 Ca 0.29 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1jxp s VAL 36 Cb -0.13 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.26 1jxp s VAL 36 CO 0.21 -0.19 0.23 -0.55 -0.31 0.00 0.00 175.10 174.49 1jxp s SER 37 N -3.06 -0.02 0.01 4.85 0.15 -1.26 -0.09 113.70 114.27 1jxp s SER 37 Ca 0.26 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1jxp s SER 37 Cb -0.08 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1jxp s SER 37 CO 0.16 -0.58 0.00 0.35 1.20 0.00 0.00 173.24 174.37 1jxp n THR 38 N 0.66 0.00 0.29 6.45 -2.24 -0.39 -4.99 114.28 114.06 1jxp n THR 38 Ca -0.19 -0.04 0.16 0.00 -2.27 0.00 0.00 64.05 61.71 1jxp n THR 38 Cb 0.59 0.01 0.86 0.00 -2.10 0.00 0.00 70.33 69.69 1jxp n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxp h ALA 39 N 1.01 1.26 0.00 6.98 0.00 -1.99 -3.38 119.26 123.13 1jxp h ALA 39 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jxp h ALA 39 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jxp h ALA 39 CO 0.01 0.07 -0.24 0.25 0.00 0.00 0.00 179.25 179.34 1jxp n THR 40 N -3.53 0.54 -2.81 0.00 -2.24 -1.26 -5.08 114.28 99.90 1jxp n THR 40 Ca -0.02 0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.83 1jxp n THR 40 Cb 0.18 -1.60 0.09 0.00 -2.10 0.00 0.00 70.33 66.89 1jxp n THR 40 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jxp s GLN 41 N -1.61 1.90 -0.14 -0.78 -0.21 -1.26 -5.11 119.66 112.45 1jxp s GLN 41 Ca -0.07 -1.42 -0.05 0.00 0.02 0.00 0.00 55.36 53.85 1jxp s GLN 41 Cb 0.01 -2.47 0.07 0.00 1.00 0.00 0.00 33.01 31.62 1jxp s GLN 41 CO 0.10 -1.23 0.28 0.45 -2.12 0.00 0.00 175.29 172.77 1jxp s SER 42 N -4.73 0.37 0.00 5.90 0.15 -1.26 -1.26 113.70 112.86 1jxp s SER 42 Ca 0.65 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1jxp s SER 42 Cb -0.05 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1jxp s SER 42 CO 0.42 -0.25 0.00 2.22 1.20 0.00 0.00 173.24 176.84 1jxp n PHE 43 N 5.35 0.00 -4.34 3.44 -1.74 0.87 -4.30 117.46 116.74 1jxp n PHE 43 Ca -0.06 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.65 1jxp n PHE 43 Cb 0.50 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.39 1jxp n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1jxp s LEU 44 N 0.00 2.45 -0.01 5.98 1.43 -0.19 -1.87 118.68 126.47 1jxp s LEU 44 Ca 0.00 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 51.98 1jxp s LEU 44 Cb 0.00 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1jxp s LEU 44 CO 0.00 -0.33 0.02 0.00 0.23 0.00 0.00 176.35 176.28 1jxp s ALA 45 N -3.16 -0.06 -0.07 4.21 0.00 0.32 -3.90 121.76 119.11 1jxp s ALA 45 Ca 0.24 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1jxp s ALA 45 Cb 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1jxp s ALA 45 CO 0.07 -0.03 -0.17 0.99 0.00 0.00 0.00 175.76 176.63 1jxp s THR 46 N -0.11 1.46 -0.31 0.00 2.01 0.32 0.48 115.64 119.50 1jxp s THR 46 Ca -0.01 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 1jxp s THR 46 Cb -0.01 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 1jxp s THR 46 CO -0.00 0.43 0.63 0.00 -0.69 0.00 0.00 174.62 174.98 1jxp s VAL 48 N 2.60 1.85 -0.89 0.00 1.01 0.19 -0.17 120.40 124.99 1jxp s VAL 48 Ca 0.25 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1jxp s VAL 48 Cb -0.15 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1jxp s VAL 48 CO 0.12 0.30 0.70 0.59 0.00 0.00 0.00 175.10 176.81 1jxp n ASN 49 N 4.64 -6.11 0.00 3.32 3.02 0.19 -2.65 115.26 117.66 1jxp n ASN 49 Ca -0.17 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1jxp n ASN 49 Cb 0.47 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 1jxp n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jxp n GLY 50 N -1.69 0.88 3.02 7.41 0.00 -1.26 -5.02 105.19 108.53 1jxp n GLY 50 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1jxp n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxp s VAL 51 N -3.14 1.07 -0.73 1.61 0.11 -1.09 -2.13 120.40 116.10 1jxp s VAL 51 Ca 0.00 -0.45 -0.27 0.00 -2.93 0.00 0.00 61.98 58.33 1jxp s VAL 51 Cb 0.00 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1jxp s VAL 51 CO 0.00 0.34 1.32 0.00 -3.33 0.00 0.00 175.10 173.42 1jxp s TRP 53 N 5.94 3.46 0.21 0.00 0.52 0.31 -0.47 118.94 128.92 1jxp s TRP 53 Ca 0.37 0.69 -0.23 0.00 0.02 0.00 0.00 56.10 56.95 1jxp s TRP 53 Cb -0.08 -2.13 0.05 0.00 -1.15 0.00 0.00 33.47 30.16 1jxp s TRP 53 CO 0.15 0.22 0.88 -0.08 0.02 0.00 0.00 176.95 178.14 1jxp s THR 54 N -1.97 0.00 0.02 2.01 -1.32 0.11 -0.52 115.64 113.96 1jxp s THR 54 Ca 0.44 -0.79 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 1jxp s THR 54 Cb -0.11 -2.11 -0.05 0.00 -1.51 0.00 0.00 72.50 68.72 1jxp s THR 54 CO 0.27 0.00 0.81 0.68 -2.21 0.00 0.00 174.62 174.18 1jxp s VAL 55 N -3.36 4.81 0.45 5.08 -7.23 -1.26 -1.42 120.40 117.47 1jxp s VAL 55 Ca 0.13 1.72 0.11 0.00 -1.81 0.00 0.00 61.98 62.13 1jxp s VAL 55 Cb -0.03 -4.16 0.27 0.00 0.56 0.00 0.00 36.38 33.02 1jxp s VAL 55 CO 0.05 0.29 2.08 0.22 -0.31 0.00 0.00 175.10 177.43 1jxp h TYR 56 N 6.15 0.33 -0.84 2.82 3.20 -1.03 -2.24 116.97 125.35 1jxp h TYR 56 Ca -0.42 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.46 1jxp h TYR 56 Cb 1.21 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 1jxp h TYR 56 CO 0.66 0.20 0.55 1.12 -1.64 0.00 0.00 178.16 179.05 1jxp h HIS 57 N 0.35 1.07 0.23 -3.82 2.07 -1.91 0.57 115.15 113.71 1jxp h HIS 57 Ca 0.11 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.64 1jxp h HIS 57 Cb 0.02 -0.36 0.00 0.00 2.57 0.00 0.00 27.41 29.64 1jxp h HIS 57 CO -0.00 0.68 -0.11 0.78 -3.07 0.00 0.00 177.93 176.20 1jxp h GLY 58 N 1.15 -0.33 2.00 6.13 0.00 -1.84 -3.36 103.07 106.81 1jxp h GLY 58 Ca 0.31 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1jxp h GLY 58 CO -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.36 1jxp h ALA 59 N -0.77 1.00 -0.97 3.60 0.00 -1.26 -3.49 119.26 117.37 1jxp h ALA 59 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jxp h ALA 59 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jxp h ALA 59 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1jxp n GLY 60 N 0.74 3.66 0.29 0.00 0.00 0.20 -1.45 105.19 108.63 1jxp n GLY 60 Ca 0.03 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1jxp n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jxp n SER 61 N 9.68 0.69 -4.68 1.61 3.41 -1.26 -4.87 113.62 118.19 1jxp n SER 61 Ca 0.00 -2.10 -0.32 0.00 -0.26 0.00 0.00 58.87 56.19 1jxp n SER 61 Cb 0.00 -0.21 0.15 0.00 -0.26 0.00 0.00 64.21 63.89 1jxp n SER 61 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jxp n LYS 62 N -0.37 -0.21 -3.01 4.33 5.02 -0.53 -4.78 118.16 118.62 1jxp n LYS 62 Ca 0.04 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.05 1jxp n LYS 62 Cb 0.62 -2.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.21 1jxp n LYS 62 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jxp s THR 63 N -2.43 4.90 0.30 -0.18 -4.23 -1.26 -4.55 115.64 108.19 1jxp s THR 63 Ca 0.70 0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 61.42 1jxp s THR 63 Cb -0.25 -3.76 -0.07 0.00 1.34 0.00 0.00 72.50 69.76 1jxp s THR 63 CO 0.55 -0.51 0.62 -0.22 -0.54 0.00 0.00 174.62 174.52 1jxp s LEU 64 N -3.92 4.04 -0.21 4.79 2.96 -0.52 -4.84 118.68 120.99 1jxp s LEU 64 Ca 0.48 0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 55.05 1jxp s LEU 64 Cb -0.10 -3.76 0.01 0.00 0.50 0.00 0.00 46.19 42.83 1jxp s LEU 64 CO 0.33 -0.20 1.04 0.00 -1.32 0.00 0.00 176.35 176.20 1jxp s ALA 65 N -2.05 3.64 0.35 5.97 0.00 -1.26 -0.89 121.76 127.52 1jxp s ALA 65 Ca 0.48 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1jxp s ALA 65 Cb -0.11 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 1jxp s ALA 65 CO 0.26 -0.98 0.04 0.20 0.00 0.00 0.00 175.76 175.28 1jxp s GLY 66 N 1.20 2.20 0.23 0.00 0.00 -0.01 -4.43 107.32 106.51 1jxp s GLY 66 Ca 0.45 -2.13 -0.08 0.00 0.00 0.00 0.00 44.72 42.96 1jxp s GLY 66 CO 0.08 -1.91 1.89 -0.56 0.00 0.00 0.00 173.10 172.60 1jxp h PRO 67 N 2.01 1.08 0.00 2.90 0.13 -1.60 -0.25 132.00 136.27 1jxp h PRO 67 Ca -0.42 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jxp h PRO 67 Cb 1.24 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1jxp h PRO 67 CO 0.73 0.72 -0.27 0.36 -0.23 0.00 0.00 178.00 179.31 1jxp n LYS 68 N -4.52 0.00 0.00 0.86 2.85 -1.26 -4.77 118.16 111.32 1jxp n LYS 68 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1jxp n LYS 68 Cb 0.05 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 1jxp n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jxp n GLY 69 N 1.50 0.65 3.69 2.58 0.00 -0.34 -5.04 105.19 108.22 1jxp n GLY 69 Ca 0.06 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1jxp n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jxp s PRO 70 N -0.61 4.16 -0.51 1.61 0.02 -0.89 -0.83 135.00 137.95 1jxp s PRO 70 Ca 0.00 2.47 -0.17 0.00 0.02 0.00 0.00 61.00 63.32 1jxp s PRO 70 Cb 0.00 -3.67 0.08 0.00 0.02 0.00 0.00 34.50 30.94 1jxp s PRO 70 CO 0.00 -0.81 0.53 0.42 -0.33 0.00 0.00 177.00 176.81 1jxp s ILE 71 N 2.92 5.07 0.40 2.83 1.01 -0.07 -4.89 121.20 128.47 1jxp s ILE 71 Ca 0.78 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 1jxp s ILE 71 Cb -0.43 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.68 1jxp s ILE 71 CO 0.35 -0.78 1.36 -0.89 0.00 0.00 0.00 174.94 174.98 1jxp s THR 72 N 2.06 2.41 0.58 2.92 2.01 -1.26 -1.43 115.64 122.93 1jxp s THR 72 Ca 0.08 0.38 -0.18 0.00 0.31 0.00 0.00 61.69 62.28 1jxp s THR 72 Cb -0.24 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1jxp s THR 72 CO 0.07 0.07 1.11 0.00 -0.69 0.00 0.00 174.62 175.18 1jxp s GLN 73 N -2.21 3.23 0.00 4.92 -2.07 -1.26 -4.74 119.66 117.53 1jxp s GLN 73 Ca 0.56 1.48 0.00 0.00 -1.82 0.00 0.00 55.36 55.59 1jxp s GLN 73 Cb -0.41 -2.00 0.00 0.00 -1.09 0.00 0.00 33.01 29.51 1jxp s GLN 73 CO 0.53 -0.92 0.00 -0.12 -1.32 0.00 0.00 175.29 173.46 1jxp n MET 74 N -1.66 0.00 -3.42 9.60 1.56 -0.84 -4.98 117.12 117.37 1jxp n MET 74 Ca 0.11 0.16 -0.36 0.00 -0.27 0.00 0.00 57.70 57.33 1jxp n MET 74 Cb 0.52 -0.63 -0.06 0.00 2.15 0.00 0.00 33.22 35.19 1jxp n MET 74 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 1jxp s TYR 75 N -0.93 3.67 -0.30 1.12 2.02 -1.23 -4.99 117.35 116.70 1jxp s TYR 75 Ca 0.00 1.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.74 1jxp s TYR 75 Cb 0.00 -2.33 0.15 0.00 -0.40 0.00 0.00 41.96 39.38 1jxp s TYR 75 CO 0.00 0.53 0.36 0.99 -1.57 0.00 0.00 175.55 175.86 1jxp s THR 76 N -1.29 -0.50 -0.89 -0.71 2.01 -1.26 -2.25 115.64 110.76 1jxp s THR 76 Ca 0.32 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1jxp s THR 76 Cb -0.16 -0.92 0.23 0.00 0.01 0.00 0.00 72.50 71.66 1jxp s THR 76 CO 0.17 -0.40 0.83 -3.20 -0.69 0.00 0.00 174.62 171.33 1jxp n ASN 77 N 5.15 4.30 -0.31 3.53 4.05 -0.19 -4.89 115.26 126.90 1jxp n ASN 77 Ca 0.01 -3.19 0.09 0.00 0.45 0.00 0.00 54.58 51.94 1jxp n ASN 77 Cb 0.48 -1.02 0.25 0.00 1.23 0.00 0.00 39.78 40.71 1jxp n ASN 77 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1jxp h VAL 78 N 3.92 0.72 0.00 3.44 2.07 -1.93 0.25 116.25 124.72 1jxp h VAL 78 Ca 0.17 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1jxp h VAL 78 Cb 0.78 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1jxp h VAL 78 CO 0.89 0.12 0.00 0.47 0.02 0.00 0.00 177.57 179.07 1jxp n ASP 79 N -4.84 0.00 -0.23 0.57 9.92 -1.26 0.41 116.55 121.12 1jxp n ASP 79 Ca 0.19 0.44 0.03 0.00 -0.53 0.00 0.00 54.79 54.91 1jxp n ASP 79 Cb 0.47 -0.46 0.06 0.00 -0.64 0.00 0.00 41.12 40.55 1jxp n ASP 79 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1jxp n GLN 80 N -1.46 2.86 -3.68 -1.24 -0.06 -0.07 -4.97 117.38 108.76 1jxp n GLN 80 Ca 0.03 -1.77 -0.25 0.00 -2.00 0.00 0.00 57.00 53.01 1jxp n GLN 80 Cb 0.11 -1.14 0.06 0.00 -4.06 0.00 0.00 30.24 25.22 1jxp n GLN 80 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1jxp n ASP 81 N -0.25 -4.75 -4.19 1.69 2.03 0.17 -4.94 116.55 106.31 1jxp n ASP 81 Ca 0.05 -0.65 -0.23 0.00 0.52 0.00 0.00 54.79 54.48 1jxp n ASP 81 Cb 0.35 -4.60 -0.14 0.00 -0.72 0.00 0.00 41.12 36.00 1jxp n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1jxp s LEU 82 N -7.10 2.15 0.16 -2.67 2.96 0.69 -0.47 118.68 114.39 1jxp s LEU 82 Ca 0.47 -0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 1jxp s LEU 82 Cb -0.22 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.69 1jxp s LEU 82 CO 0.77 0.12 0.42 0.68 -1.32 0.00 0.00 176.35 177.01 1jxp s VAL 83 N -0.75 0.05 0.07 1.68 -7.23 -0.50 -1.02 120.40 112.70 1jxp s VAL 83 Ca 0.05 -0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 59.08 1jxp s VAL 83 Cb -0.08 -1.51 0.08 0.00 0.56 0.00 0.00 36.38 35.43 1jxp s VAL 83 CO 0.01 -0.24 0.68 -0.83 -0.31 0.00 0.00 175.10 174.41 1jxp s GLY 84 N -2.87 -0.57 0.19 2.32 0.00 -0.95 -0.71 107.32 104.73 1jxp s GLY 84 Ca 0.09 0.84 0.10 0.00 0.00 0.00 0.00 44.72 45.75 1jxp s GLY 84 CO -0.05 0.41 -0.20 -0.98 0.00 0.00 0.00 173.10 172.28 1jxp s TRP 85 N -2.94 2.03 -0.01 1.90 0.51 0.38 -1.99 118.94 118.82 1jxp s TRP 85 Ca -0.01 -0.42 -0.30 0.00 -2.12 0.00 0.00 56.10 53.25 1jxp s TRP 85 Cb -0.01 -0.99 -0.06 0.00 -0.81 0.00 0.00 33.47 31.60 1jxp s TRP 85 CO -0.06 0.44 1.63 -1.14 -0.51 0.00 0.00 176.95 177.30 1jxp s GLN 86 N -2.89 4.20 0.20 4.98 0.74 -1.26 -0.50 119.66 125.12 1jxp s GLN 86 Ca 0.20 2.21 -0.30 0.00 0.05 0.00 0.00 55.36 57.52 1jxp s GLN 86 Cb -0.06 -3.83 -0.16 0.00 1.10 0.00 0.00 33.01 30.05 1jxp s GLN 86 CO 0.09 -0.78 0.79 0.00 -0.55 0.00 0.00 175.29 174.83 1jxp n ALA 87 N 6.51 -1.97 -1.70 1.58 0.00 -0.91 -4.81 120.51 119.22 1jxp n ALA 87 Ca 0.16 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.76 1jxp n ALA 87 Cb 0.42 -1.79 0.10 0.00 0.00 0.00 0.00 19.45 18.18 1jxp n ALA 87 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1jxp s PRO 88 N -0.97 1.88 0.41 0.00 0.02 -1.26 -4.98 135.00 130.10 1jxp s PRO 88 Ca 0.66 0.35 -0.24 0.00 0.02 0.00 0.00 61.00 61.80 1jxp s PRO 88 Cb -0.89 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 31.60 1jxp s PRO 88 CO 0.57 -1.70 0.83 -2.30 -0.33 0.00 0.00 177.00 174.07 1jxp n PRO 89 N -3.44 1.02 0.00 5.54 -0.02 -1.26 -2.86 135.00 133.98 1jxp n PRO 89 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1jxp n PRO 89 Cb 0.59 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1jxp n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jxp n GLY 90 N 1.42 2.11 0.12 -1.23 0.00 -1.26 -4.30 105.19 102.05 1jxp n GLY 90 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jxp n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxp n ALA 91 N 0.00 -0.36 -2.03 4.61 0.00 -1.14 -4.79 120.51 116.81 1jxp n ALA 91 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1jxp n ALA 91 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1jxp n ALA 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jxp s ARG 92 N 0.00 2.60 0.84 0.00 1.81 -1.26 -4.92 118.95 118.03 1jxp s ARG 92 Ca 0.00 0.48 -0.11 0.00 -1.72 0.00 0.00 55.73 54.37 1jxp s ARG 92 Cb 0.00 -4.50 0.10 0.00 -0.45 0.00 0.00 34.95 30.10 1jxp s ARG 92 CO 0.00 -2.85 1.09 -1.12 -0.68 0.00 0.00 175.30 171.74 1jxp s SER 93 N 8.18 4.01 0.28 0.23 0.01 -1.26 -4.15 113.70 121.00 1jxp s SER 93 Ca 0.68 1.41 0.07 0.00 1.31 0.00 0.00 55.95 59.42 1jxp s SER 93 Cb -0.12 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1jxp s SER 93 CO 0.17 -2.29 0.25 -0.76 0.41 0.00 0.00 173.24 171.02 1jxp s LEU 94 N -5.99 3.81 0.06 2.44 1.43 0.76 -4.79 118.68 116.39 1jxp s LEU 94 Ca 0.62 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1jxp s LEU 94 Cb -0.16 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1jxp s LEU 94 CO 0.56 -0.15 0.04 -0.89 0.23 0.00 0.00 176.35 176.14 1jxp s THR 95 N -2.17 4.33 0.12 5.49 2.01 -1.26 0.54 115.64 124.70 1jxp s THR 95 Ca 0.36 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1jxp s THR 95 Cb -0.07 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.42 1jxp s THR 95 CO 0.26 0.19 0.07 -2.65 -0.69 0.00 0.00 174.62 171.80 1jxp n PRO 96 N 0.74 -2.17 0.00 4.92 -0.02 -1.26 -0.37 135.00 136.84 1jxp n PRO 96 Ca -0.11 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1jxp n PRO 96 Cb 0.52 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 1jxp n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jxp n THR 98 N -0.17-11.01 0.00 0.00 -1.04 -1.26 -4.81 114.28 95.99 1jxp n THR 98 Ca 0.00 2.33 0.00 0.00 -2.04 0.00 0.00 64.05 64.34 1jxp n THR 98 Cb 0.00 -5.80 0.00 0.00 -1.82 0.00 0.00 70.33 62.71 1jxp n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jxp n GLY 100 N 0.00 2.82 2.88 0.00 0.00 -1.26 -4.93 105.19 104.70 1jxp n GLY 100 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1jxp n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jxp n SER 101 N 0.40 -0.24 -0.52 1.61 2.88 -1.26 -4.85 113.62 111.63 1jxp n SER 101 Ca 0.00 0.95 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 1jxp n SER 101 Cb 0.00 -0.77 0.39 0.00 -0.75 0.00 0.00 64.21 63.08 1jxp n SER 101 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jxp n SER 102 N 1.34 1.71 -4.39 -3.46 7.64 -1.26 -4.81 113.62 110.38 1jxp n SER 102 Ca 0.16 -1.48 -0.44 0.00 1.01 0.00 0.00 58.87 58.12 1jxp n SER 102 Cb 0.10 0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 1jxp n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1jxp s ASP 103 N -2.12 6.18 0.48 6.43 1.11 -1.26 0.90 116.67 128.39 1jxp s ASP 103 Ca 0.33 -1.33 0.08 0.00 0.18 0.00 0.00 52.55 51.81 1jxp s ASP 103 Cb 0.20 -2.32 0.02 0.00 1.07 0.00 0.00 42.92 41.89 1jxp s ASP 103 CO 0.38 -1.15 0.50 -0.76 1.18 0.00 0.00 175.17 175.31 1jxp s LEU 104 N 2.91 3.23 -0.01 1.23 1.43 -0.38 -3.32 118.68 123.77 1jxp s LEU 104 Ca 0.13 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1jxp s LEU 104 Cb -0.23 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1jxp s LEU 104 CO 0.07 -0.91 0.05 -0.31 0.23 0.00 0.00 176.35 175.48 1jxp s TYR 105 N -2.56 0.01 -0.10 0.29 2.02 -0.94 -1.38 117.35 114.70 1jxp s TYR 105 Ca 0.49 -0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 57.18 1jxp s TYR 105 Cb -0.05 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.46 1jxp s TYR 105 CO 0.30 -0.09 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.97 1jxp s LEU 106 N -0.40 3.24 -0.13 -1.29 1.98 0.18 -1.52 118.68 120.73 1jxp s LEU 106 Ca -0.05 -0.03 -0.02 0.00 -2.89 0.00 0.00 54.13 51.14 1jxp s LEU 106 Cb -0.03 -1.73 -0.02 0.00 0.66 0.00 0.00 46.19 45.07 1jxp s LEU 106 CO 0.00 0.31 -0.09 -0.69 -1.89 0.00 0.00 176.35 173.99 1jxp s VAL 107 N -0.47 3.46 0.53 1.68 1.01 -1.11 0.29 120.40 125.78 1jxp s VAL 107 Ca 0.07 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1jxp s VAL 107 Cb -0.12 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.84 1jxp s VAL 107 CO 0.02 0.52 0.73 0.42 0.00 0.00 0.00 175.10 176.79 1jxp s THR 108 N 0.25 2.57 -1.94 3.92 -4.23 -0.98 -4.39 115.64 110.85 1jxp s THR 108 Ca -0.06 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1jxp s THR 108 Cb -0.15 -2.67 0.18 0.00 1.34 0.00 0.00 72.50 71.20 1jxp s THR 108 CO 0.04 0.00 0.88 -2.11 -0.54 0.00 0.00 174.62 172.90 1jxp n ARG 109 N -2.18 0.20 0.00 3.99 1.85 -1.26 0.04 116.66 119.30 1jxp n ARG 109 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1jxp n ARG 109 Cb 0.60 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 1jxp n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1jxp n HIS 110 N -1.03 0.00 -2.27 2.89 8.25 -1.26 -4.91 115.22 116.88 1jxp n HIS 110 Ca 0.05 -0.26 -0.05 0.00 -0.26 0.00 0.00 57.72 57.20 1jxp n HIS 110 Cb 0.03 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.14 1jxp n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jxp n ALA 111 N -0.26 -0.98 -3.01 -1.41 0.00 0.11 -4.54 120.51 110.42 1jxp n ALA 111 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1jxp n ALA 111 Cb 0.14 -1.83 -0.12 0.00 0.00 0.00 0.00 19.45 17.64 1jxp n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxp s ASP 112 N -3.28 5.36 -0.79 0.00 1.01 -1.25 -4.57 116.67 113.15 1jxp s ASP 112 Ca 0.09 -0.63 -0.20 0.00 0.71 0.00 0.00 52.55 52.52 1jxp s ASP 112 Cb -0.01 -1.95 0.11 0.00 1.01 0.00 0.00 42.92 42.08 1jxp s ASP 112 CO 0.25 -0.20 1.01 -0.69 0.21 0.00 0.00 175.17 175.75 1jxp s VAL 113 N 1.56 4.60 -0.21 -1.27 1.01 -1.25 -2.31 120.40 122.52 1jxp s VAL 113 Ca 0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1jxp s VAL 113 Cb -0.17 -4.71 -0.00 0.00 0.00 0.00 0.00 36.38 31.50 1jxp s VAL 113 CO 0.04 -1.44 -0.09 0.27 0.00 0.00 0.00 175.10 173.88 1jxp s ILE 114 N 3.18 2.98 0.15 2.22 -4.36 0.15 -4.87 121.20 120.64 1jxp s ILE 114 Ca 0.26 -0.63 -0.34 0.00 -0.26 0.00 0.00 60.65 59.68 1jxp s ILE 114 Cb -0.12 -2.33 -0.15 0.00 1.25 0.00 0.00 42.46 41.11 1jxp s ILE 114 CO -0.00 0.46 1.36 -2.65 0.24 0.00 0.00 174.94 174.35 1jxp n PRO 115 N 4.72 1.51 -4.04 0.37 -0.02 -1.26 0.47 135.00 136.74 1jxp n PRO 115 Ca -0.19 0.54 -0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1jxp n PRO 115 Cb 0.51 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 1jxp n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jxp s VAL 116 N 0.33 0.43 -0.21 -1.45 1.01 -0.48 -3.03 120.40 116.99 1jxp s VAL 116 Ca 0.78 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1jxp s VAL 116 Cb -0.82 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1jxp s VAL 116 CO 0.47 -0.38 -0.09 -0.13 0.00 0.00 0.00 175.10 174.96 1jxp s ARG 117 N -1.45 3.15 -0.83 2.72 1.81 0.12 -1.25 118.95 123.22 1jxp s ARG 117 Ca -0.11 -0.76 -0.24 0.00 -1.72 0.00 0.00 55.73 52.91 1jxp s ARG 117 Cb -0.09 -2.87 -0.19 0.00 -0.45 0.00 0.00 34.95 31.34 1jxp s ARG 117 CO 0.00 -0.24 2.46 -2.13 -0.68 0.00 0.00 175.30 174.70 1jxp n ARG 118 N 4.72 0.37 -0.01 3.54 3.00 0.26 -1.50 116.66 127.03 1jxp n ARG 118 Ca -0.19 -0.15 0.13 0.00 -0.00 0.00 0.00 57.85 57.65 1jxp n ARG 118 Cb 0.50 -2.29 0.39 0.00 0.00 0.00 0.00 32.46 31.06 1jxp n ARG 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1jxp n ARG 119 N 8.03 1.88 -1.55 -0.14 3.00 -0.59 -4.95 116.66 122.34 1jxp n ARG 119 Ca 0.56 -1.28 0.00 0.00 -0.00 0.00 0.00 57.85 57.13 1jxp n ARG 119 Cb 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1jxp n ARG 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jxp n GLY 120 N 1.23 -0.66 0.23 5.14 0.00 -1.07 -4.75 105.19 105.30 1jxp n GLY 120 Ca 0.17 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 1jxp n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jxp h ASP 121 N 0.00 0.93 0.00 1.61 3.32 -1.98 -3.39 116.42 116.90 1jxp h ASP 121 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1jxp h ASP 121 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1jxp h ASP 121 CO 0.00 1.35 -0.14 -1.54 -1.72 0.00 0.00 179.24 177.19 1jxp n SER 122 N -4.01 0.71 -4.86 6.45 3.41 -1.26 -4.50 113.62 109.56 1jxp n SER 122 Ca -0.06 -0.23 -0.31 0.00 -0.26 0.00 0.00 58.87 58.01 1jxp n SER 122 Cb 0.68 0.60 0.01 0.00 -0.26 0.00 0.00 64.21 65.23 1jxp n SER 122 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jxp s ARG 123 N -0.74 3.60 -0.29 4.33 0.52 -1.26 -1.74 118.95 123.36 1jxp s ARG 123 Ca 0.00 0.80 -0.16 0.00 -0.52 0.00 0.00 55.73 55.85 1jxp s ARG 123 Cb 0.00 -2.08 0.15 0.00 0.52 0.00 0.00 34.95 33.54 1jxp s ARG 123 CO 0.00 -0.57 1.00 0.20 0.02 0.00 0.00 175.30 175.95 1jxp s GLY 124 N -3.98 -0.01 0.41 -3.53 0.00 -1.12 -1.54 107.32 97.56 1jxp s GLY 124 Ca 0.56 3.16 -0.20 0.00 0.00 0.00 0.00 44.72 48.24 1jxp s GLY 124 CO 0.51 2.75 0.91 -0.56 0.00 0.00 0.00 173.10 176.71 1jxp s SER 125 N 1.58 6.91 -0.20 1.64 0.01 -0.56 -0.69 113.70 122.39 1jxp s SER 125 Ca -0.08 1.62 -0.07 0.00 1.31 0.00 0.00 55.95 58.73 1jxp s SER 125 Cb -0.04 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 1jxp s SER 125 CO -0.15 -0.33 0.05 -0.22 0.41 0.00 0.00 173.24 173.00 1jxp s LEU 126 N -3.15 3.60 0.20 2.44 2.96 0.17 0.16 118.68 125.06 1jxp s LEU 126 Ca 0.61 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.36 1jxp s LEU 126 Cb -0.09 -1.92 0.19 0.00 0.50 0.00 0.00 46.19 44.86 1jxp s LEU 126 CO 0.14 0.10 1.81 -0.07 -1.32 0.00 0.00 176.35 177.01 1jxp h LEU 127 N 7.25 0.55 -7.69 -0.68 3.38 -1.84 -3.39 115.31 112.90 1jxp h LEU 127 Ca -0.36 0.02 -0.59 0.00 0.09 0.00 0.00 57.88 57.04 1jxp h LEU 127 Cb 1.17 -0.09 -0.38 0.00 0.09 0.00 0.00 40.66 41.46 1jxp h LEU 127 CO 0.64 0.37 -0.80 -0.94 0.09 0.00 0.00 178.44 177.81 1jxp s SER 128 N -5.61 3.26 0.55 -0.43 1.04 -1.26 -5.12 113.70 106.12 1jxp s SER 128 Ca -0.13 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.23 1jxp s SER 128 Cb 0.15 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.13 1jxp s SER 128 CO 0.75 -0.18 1.29 -2.84 0.98 0.00 0.00 173.24 173.24 1jxp s PRO 129 N 1.49 3.17 0.31 4.02 0.02 -1.26 -5.00 135.00 137.76 1jxp s PRO 129 Ca -0.01 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.10 1jxp s PRO 129 Cb -0.16 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.13 1jxp s PRO 129 CO -0.08 -1.11 0.14 -0.98 -0.33 0.00 0.00 177.00 174.64 1jxp s ARG 130 N -2.98 1.62 0.57 5.54 3.03 -1.02 -4.96 118.95 120.75 1jxp s ARG 130 Ca 0.72 -1.92 -0.18 0.00 2.03 0.00 0.00 55.73 56.37 1jxp s ARG 130 Cb -0.36 -0.25 -0.04 0.00 -1.03 0.00 0.00 34.95 33.26 1jxp s ARG 130 CO 0.42 -0.41 1.13 -1.25 -1.13 0.00 0.00 175.30 174.06 1jxp s PRO 131 N -3.84 3.21 0.06 3.89 0.04 -1.26 -1.10 135.00 136.00 1jxp s PRO 131 Ca 0.34 1.58 0.14 0.00 0.04 0.00 0.00 61.00 63.10 1jxp s PRO 131 Cb 0.05 -1.99 0.60 0.00 0.04 0.00 0.00 34.50 33.21 1jxp s PRO 131 CO 0.16 -0.96 1.44 1.55 0.04 0.00 0.00 177.00 179.23 1jxp n VAL 132 N -1.56 1.14 0.22 -0.36 3.14 -1.17 -0.64 118.33 119.11 1jxp n VAL 132 Ca 0.11 0.31 0.11 0.00 -2.96 0.00 0.00 64.34 61.92 1jxp n VAL 132 Cb 0.51 -1.15 0.39 0.00 -1.06 0.00 0.00 33.84 32.53 1jxp n VAL 132 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1jxp h SER 133 N 0.00 0.00 -0.34 6.55 4.64 -1.90 -3.11 113.55 119.39 1jxp h SER 133 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1jxp h SER 133 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1jxp h SER 133 CO 0.00 0.15 0.04 0.22 -0.87 0.00 0.00 176.83 176.38 1jxp h TYR 134 N 0.00 0.69 -0.12 4.77 3.20 -1.24 -2.93 116.97 121.34 1jxp h TYR 134 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1jxp h TYR 134 Cb 0.84 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1jxp h TYR 134 CO 0.00 0.63 0.00 1.28 -1.64 0.00 0.00 178.16 178.43 1jxp n LEU 135 N -4.27 2.37 -4.71 2.82 4.32 -1.18 -4.97 117.00 111.38 1jxp n LEU 135 Ca 0.02 -0.88 -0.42 0.00 -0.02 0.00 0.00 56.01 54.71 1jxp n LEU 135 Cb 0.25 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 41.95 1jxp n LEU 135 CO 0.40 0.44 1.37 1.17 -1.22 0.00 0.00 177.39 179.55 1jxp n LYS 136 N 0.82 2.73 -1.19 3.23 3.00 -1.11 -2.35 118.16 123.29 1jxp n LYS 136 Ca 0.17 0.99 -0.00 0.00 -0.00 0.00 0.00 58.31 59.46 1jxp n LYS 136 Cb 0.47 -2.83 -0.00 0.00 0.00 0.00 0.00 35.03 32.67 1jxp n LYS 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jxp n GLY 137 N 3.97 0.39 0.17 3.14 0.00 -1.26 -4.91 105.19 106.69 1jxp n GLY 137 Ca 0.16 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 45.17 1jxp n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jxp n SER 138 N 1.95 1.11 -4.77 1.61 7.64 -0.99 -4.04 113.62 116.13 1jxp n SER 138 Ca -0.00 -1.06 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 1jxp n SER 138 Cb 0.10 0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1jxp n SER 138 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jxp s SER 139 N -0.84 6.58 0.00 6.43 1.04 -1.26 -0.98 113.70 124.67 1jxp s SER 139 Ca 0.06 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1jxp s SER 139 Cb 0.05 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1jxp s SER 139 CO 0.13 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1jxp n GLY 140 N 0.86 2.38 3.50 7.32 0.00 -0.03 -1.02 105.19 118.20 1jxp n GLY 140 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1jxp n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jxp s GLY 141 N -2.30 1.52 0.14 -0.02 0.00 -0.15 -3.23 107.32 103.28 1jxp s GLY 141 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 1jxp s GLY 141 CO 0.00 0.39 0.40 2.56 0.00 0.00 0.00 173.10 176.45 1jxp s PRO 142 N -4.73 3.66 -0.32 2.90 0.04 -1.26 0.25 135.00 135.53 1jxp s PRO 142 Ca 0.68 0.00 0.03 0.00 0.04 0.00 0.00 61.00 61.76 1jxp s PRO 142 Cb -0.21 -2.86 0.09 0.00 0.04 0.00 0.00 34.50 31.57 1jxp s PRO 142 CO 0.62 0.47 0.03 -0.51 0.04 0.00 0.00 177.00 177.64 1jxp s LEU 143 N -2.51 4.32 0.62 -3.56 1.43 0.36 -2.75 118.68 116.59 1jxp s LEU 143 Ca 0.40 -1.98 0.01 0.00 -1.03 0.00 0.00 54.13 51.53 1jxp s LEU 143 Cb -0.12 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.62 1jxp s LEU 143 CO 0.23 -0.35 0.87 -0.76 0.23 0.00 0.00 176.35 176.56 1jxp s LEU 144 N 1.00 3.14 0.52 1.79 1.02 -0.57 -1.06 118.68 124.51 1jxp s LEU 144 Ca 0.07 -0.17 0.06 0.00 0.02 0.00 0.00 54.13 54.11 1jxp s LEU 144 Cb -0.19 -2.48 0.03 0.00 0.02 0.00 0.00 46.19 43.58 1jxp s LEU 144 CO -0.09 -1.44 0.44 0.00 0.02 0.00 0.00 176.35 175.28 1jxp h PRO 146 N 0.74 0.39 0.00 0.00 0.13 -1.92 -0.23 132.00 131.11 1jxp h PRO 146 Ca -0.37 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1jxp h PRO 146 Cb 1.29 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jxp h PRO 146 CO 0.55 0.26 0.00 -1.13 -0.23 0.00 0.00 178.00 177.45 1jxp n SER 147 N -5.03 0.00 0.00 1.44 3.41 -1.26 -4.90 113.62 107.28 1jxp n SER 147 Ca 0.12 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1jxp n SER 147 Cb 0.37 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1jxp n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jxp n GLY 148 N 0.93 0.82 3.86 5.00 0.00 -0.10 -5.09 105.19 110.61 1jxp n GLY 148 Ca 0.21 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1jxp n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jxp s HIS 149 N -2.00 3.40 -0.78 1.61 3.76 -1.26 -4.72 115.29 115.31 1jxp s HIS 149 Ca 0.00 1.13 -0.26 0.00 -0.15 0.00 0.00 55.06 55.79 1jxp s HIS 149 Cb 0.00 -2.48 -0.00 0.00 1.11 0.00 0.00 32.58 31.20 1jxp s HIS 149 CO 0.00 0.05 1.69 0.00 -0.85 0.00 0.00 174.74 175.63 1jxp s ALA 150 N -2.08 2.26 -0.16 -1.40 0.00 0.50 -1.79 121.76 119.09 1jxp s ALA 150 Ca 0.53 -1.29 0.19 0.00 0.00 0.00 0.00 51.96 51.39 1jxp s ALA 150 Cb -0.10 -4.40 -0.11 0.00 0.00 0.00 0.00 23.12 18.51 1jxp s ALA 150 CO 0.22 -3.95 0.84 1.55 0.00 0.00 0.00 175.76 174.41 1jxp n VAL 151 N 7.14 0.91 -3.57 0.00 3.14 -0.23 -3.33 118.33 122.40 1jxp n VAL 151 Ca 0.24 -0.63 -0.10 0.00 -2.96 0.00 0.00 64.34 60.88 1jxp n VAL 151 Cb 0.50 -0.54 -0.05 0.00 -1.06 0.00 0.00 33.84 32.70 1jxp n VAL 151 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1jxp s GLY 152 N -4.65 -0.30 -0.38 7.55 0.00 -0.27 0.17 107.32 109.44 1jxp s GLY 152 Ca -0.03 1.86 -0.15 0.00 0.00 0.00 0.00 44.72 46.40 1jxp s GLY 152 CO 0.81 0.91 0.34 -0.42 0.00 0.00 0.00 173.10 174.75 1jxp s ILE 153 N -1.44 5.20 0.05 0.90 -1.09 -0.05 0.14 121.20 124.91 1jxp s ILE 153 Ca -0.00 -0.30 -0.33 0.00 -2.23 0.00 0.00 60.65 57.78 1jxp s ILE 153 Cb -0.01 -3.89 -0.12 0.00 -1.58 0.00 0.00 42.46 36.87 1jxp s ILE 153 CO -0.00 -0.22 1.76 0.33 -1.23 0.00 0.00 174.94 175.58 1jxp n PHE 154 N 5.32 2.36 -0.12 3.97 7.35 0.14 -1.14 117.46 135.35 1jxp n PHE 154 Ca -0.10 0.07 -0.19 0.00 -0.76 0.00 0.00 57.45 56.47 1jxp n PHE 154 Cb 0.48 -2.63 -0.10 0.00 0.35 0.00 0.00 39.48 37.58 1jxp n PHE 154 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1jxp n ARG 155 N 5.22 0.55 -3.59 -4.13 1.74 0.01 -0.85 116.66 115.60 1jxp n ARG 155 Ca 0.20 0.16 -0.06 0.00 -0.77 0.00 0.00 57.85 57.38 1jxp n ARG 155 Cb 0.31 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1jxp n ARG 155 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jxp s ALA 156 N -2.45 -2.02 0.43 7.54 0.00 -0.98 -4.70 121.76 119.58 1jxp s ALA 156 Ca -0.31 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 1jxp s ALA 156 Cb 0.10 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1jxp s ALA 156 CO 0.49 -0.49 0.81 0.00 0.00 0.00 0.00 175.76 176.56 1jxp s ALA 157 N -2.03 3.31 -0.27 0.00 0.00 -1.26 -0.79 121.76 120.73 1jxp s ALA 157 Ca 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1jxp s ALA 157 Cb -0.01 -2.76 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 1jxp s ALA 157 CO -0.05 -0.09 0.05 0.08 0.00 0.00 0.00 175.76 175.76 1jxp s VAL 158 N -2.46 3.94 0.02 0.00 1.01 0.29 -4.82 120.40 118.38 1jxp s VAL 158 Ca 0.52 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1jxp s VAL 158 Cb -0.10 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1jxp s VAL 158 CO 0.33 0.21 0.04 0.00 0.00 0.00 0.00 175.10 175.69 1jxp s THR 160 N -1.95 0.05 -1.32 0.00 -4.23 -0.73 -4.87 115.64 102.58 1jxp s THR 160 Ca -0.11 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.43 1jxp s THR 160 Cb -0.06 -0.11 0.01 0.00 1.34 0.00 0.00 72.50 73.69 1jxp s THR 160 CO -0.02 0.06 0.86 0.54 -0.54 0.00 0.00 174.62 175.52 1jxp n ARG 161 N 3.58 -5.69 -0.97 3.99 3.00 -1.26 -1.73 116.66 117.59 1jxp n ARG 161 Ca -0.20 0.69 0.00 0.00 -0.01 0.00 0.00 57.85 58.33 1jxp n ARG 161 Cb 0.55 -5.45 0.00 0.00 0.00 0.00 0.00 32.46 27.56 1jxp n ARG 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jxp n GLY 162 N -1.54 0.00 3.45 -0.13 0.00 -1.26 -4.94 105.19 100.77 1jxp n GLY 162 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1jxp n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxp s VAL 163 N -1.01 3.70 -0.22 1.61 1.01 -0.71 -3.07 120.40 121.73 1jxp s VAL 163 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1jxp s VAL 163 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1jxp s VAL 163 CO 0.00 0.48 0.08 0.00 0.00 0.00 0.00 175.10 175.66 1jxp s ALA 164 N 0.58 3.32 0.00 5.51 0.00 -0.26 -1.78 121.76 129.13 1jxp s ALA 164 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1jxp s ALA 164 Cb -0.15 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1jxp s ALA 164 CO 0.03 -0.14 0.00 0.36 0.00 0.00 0.00 175.76 176.00 1jxp n LYS 165 N 4.21 5.12 -4.08 0.00 -0.00 -0.95 -2.42 118.16 120.04 1jxp n LYS 165 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.05 1jxp n LYS 165 Cb 0.52 -0.41 -0.09 0.00 -0.00 0.00 0.00 35.03 35.05 1jxp n LYS 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jxp s ALA 166 N -0.81 0.54 0.19 0.58 0.00 -1.03 -0.65 121.76 120.58 1jxp s ALA 166 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.77 1jxp s ALA 166 Cb 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 1jxp s ALA 166 CO 0.00 -0.58 -0.14 0.14 0.00 0.00 0.00 175.76 175.18 1jxp s VAL 167 N -4.03 1.63 -0.24 0.00 -7.23 0.14 0.10 120.40 110.77 1jxp s VAL 167 Ca 0.24 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1jxp s VAL 167 Cb 0.05 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 35.10 1jxp s VAL 167 CO 0.03 -0.59 -0.02 -0.62 -0.31 0.00 0.00 175.10 173.59 1jxp s ASP 168 N -3.18 3.73 0.32 4.85 2.15 0.03 -2.80 116.67 121.77 1jxp s ASP 168 Ca 0.20 -1.19 0.07 0.00 0.43 0.00 0.00 52.55 52.06 1jxp s ASP 168 Cb -0.01 -1.06 -0.06 0.00 -0.30 0.00 0.00 42.92 41.48 1jxp s ASP 168 CO 0.06 -0.27 -0.05 0.72 -0.17 0.00 0.00 175.17 175.46 1jxp s PHE 169 N 1.48 2.15 -0.16 -5.34 -0.12 -0.71 -0.81 117.98 114.46 1jxp s PHE 169 Ca -0.03 -0.66 -0.10 0.00 -0.05 0.00 0.00 56.93 56.08 1jxp s PHE 169 Cb -0.18 -1.28 -0.05 0.00 -0.63 0.00 0.00 43.02 40.88 1jxp s PHE 169 CO -0.08 0.36 0.18 0.54 -0.05 0.00 0.00 175.22 176.17 1jxp s VAL 170 N -2.89 5.39 0.52 -2.49 0.11 -0.29 -4.57 120.40 116.18 1jxp s VAL 170 Ca 0.32 0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 59.48 1jxp s VAL 170 Cb 0.05 -3.50 -0.07 0.00 -1.53 0.00 0.00 36.38 31.32 1jxp s VAL 170 CO 0.14 0.48 1.09 -2.16 -3.33 0.00 0.00 175.10 171.32 1jxp s PRO 171 N -0.06 3.55 0.53 1.54 0.04 -1.26 -0.87 135.00 138.47 1jxp s PRO 171 Ca 0.13 1.50 0.19 0.00 0.04 0.00 0.00 61.00 62.85 1jxp s PRO 171 Cb -0.12 -2.05 1.35 0.00 0.04 0.00 0.00 34.50 33.72 1jxp s PRO 171 CO 0.02 -0.66 2.15 -0.24 0.04 0.00 0.00 177.00 178.31 1jxp h VAL 172 N 1.35 0.92 -0.06 -0.36 3.04 0.15 -1.92 116.25 119.37 1jxp h VAL 172 Ca -0.50 -0.08 -0.09 0.00 -1.01 0.00 0.00 66.70 65.02 1jxp h VAL 172 Cb 1.24 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 1jxp h VAL 172 CO 0.58 0.02 -0.40 1.05 -1.01 0.00 0.00 177.57 177.81 1jxp h GLU 173 N 0.00 0.12 0.00 4.17 9.09 -1.92 -2.51 114.58 123.53 1jxp h GLU 173 Ca -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1jxp h GLU 173 Cb 0.04 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1jxp h GLU 173 CO 0.00 0.50 -0.31 0.66 0.05 0.00 0.00 179.01 179.92 1jxp h SER 174 N 0.10 0.00 -0.02 3.06 4.64 -1.74 -2.17 113.55 117.42 1jxp h SER 174 Ca 0.01 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jxp h SER 174 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1jxp h SER 174 CO 0.06 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 176.26 1jxp h MET 175 N 0.00 0.04 -0.70 4.77 2.86 -1.28 -2.35 114.93 118.27 1jxp h MET 175 Ca 0.00 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1jxp h MET 175 Cb 0.97 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 1jxp h MET 175 CO 0.00 0.30 0.15 0.93 1.06 0.00 0.00 176.91 179.35 1jxp h GLU 176 N -0.23 1.13 -0.03 1.72 5.08 -1.49 -1.33 114.58 119.43 1jxp h GLU 176 Ca 0.01 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1jxp h GLU 176 Cb 0.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jxp h GLU 176 CO 0.00 1.01 0.09 1.15 -1.00 0.00 0.00 179.01 180.26 1jxp h THR 177 N 1.07 0.18 0.00 1.13 2.02 -1.25 0.22 112.91 116.28 1jxp h THR 177 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1jxp h THR 177 Cb 0.40 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1jxp h THR 177 CO 0.01 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.62 1jxp h THR 178 N 0.00 0.04 -0.02 3.16 2.02 -0.68 -3.51 112.91 113.93 1jxp h THR 178 Ca 0.01 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1jxp h THR 178 Cb 0.19 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1jxp h THR 178 CO -0.00 0.02 0.00 0.23 0.37 0.00 0.00 175.52 176.14