#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4z s SER 2 N 0.00 -0.12 0.24 1.61 0.01 -1.26 -5.19 113.70 108.99 1x4z s SER 2 Ca 0.00 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1x4z s SER 2 Cb 0.00 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 1x4z s SER 2 CO 0.00 -1.19 0.15 -0.55 0.41 0.00 0.00 173.24 172.06 1x4z s SER 3 N -3.06 0.66 -0.54 2.44 0.15 -1.26 -5.12 113.70 106.98 1x4z s SER 3 Ca 0.15 -1.46 -0.19 0.00 0.70 0.00 0.00 55.95 55.14 1x4z s SER 3 Cb -0.03 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.72 1x4z s SER 3 CO 0.06 -0.86 0.68 -0.83 1.20 0.00 0.00 173.24 173.49 1x4z s GLY 4 N -3.23 1.73 0.32 9.45 0.00 -1.26 -5.04 107.32 109.29 1x4z s GLY 4 Ca 0.39 -1.85 0.07 0.00 0.00 0.00 0.00 44.72 43.33 1x4z s GLY 4 CO 0.15 1.56 0.35 -1.35 0.00 0.00 0.00 173.10 173.81 1x4z s SER 5 N 2.99 5.64 -0.44 1.64 1.04 -1.26 -5.07 113.70 118.24 1x4z s SER 5 Ca 0.15 -0.31 -0.24 0.00 0.48 0.00 0.00 55.95 56.03 1x4z s SER 5 Cb -0.20 -1.18 0.02 0.00 0.10 0.00 0.00 66.02 64.76 1x4z s SER 5 CO 0.11 -0.33 0.85 -0.94 0.98 0.00 0.00 173.24 173.91 1x4z s SER 6 N -4.04 6.47 0.27 7.02 1.04 -1.26 -4.98 113.70 118.22 1x4z s SER 6 Ca 0.41 0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.75 1x4z s SER 6 Cb -0.08 -2.42 0.06 0.00 0.10 0.00 0.00 66.02 63.68 1x4z s SER 6 CO 0.28 -0.95 0.75 0.61 0.98 0.00 0.00 173.24 174.92 1x4z n GLY 7 N 4.89 0.97 3.51 7.32 0.00 -1.26 -5.07 105.19 115.54 1x4z n GLY 7 Ca 0.04 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1x4z n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4z n SER 8 N -1.36 0.17 -3.66 1.61 2.88 -1.26 -4.82 113.62 107.18 1x4z n SER 8 Ca -0.05 -0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.06 1x4z n SER 8 Cb 0.50 -0.97 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 1x4z n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4z s GLN 9 N 8.27 0.65 0.00 -1.46 -2.07 -1.26 -5.18 119.66 118.62 1x4z s GLN 9 Ca 1.25 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 55.74 1x4z s GLN 9 Cb -0.87 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 31.27 1x4z s GLN 9 CO 0.44 -0.12 0.00 -0.35 -1.32 0.00 0.00 175.29 173.95 1x4z n PRO 10 N 3.50 -0.58 -0.88 9.60 -0.04 -1.26 -4.83 135.00 140.51 1x4z n PRO 10 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 1x4z n PRO 10 Cb 0.57 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.89 1x4z n PRO 10 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x4z n ASP 11 N -2.34 5.10 -3.91 3.54 8.00 -1.26 -4.71 116.55 120.98 1x4z n ASP 11 Ca 0.00 -2.44 -0.43 0.00 0.71 0.00 0.00 54.79 52.64 1x4z n ASP 11 Cb 0.00 -1.33 0.01 0.00 -0.02 0.00 0.00 41.12 39.78 1x4z n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4z n HIS 12 N 2.33 2.66 0.00 1.24 1.44 -1.26 -4.71 115.22 116.92 1x4z n HIS 12 Ca 0.34 -2.70 0.00 0.00 -2.01 0.00 0.00 57.72 53.35 1x4z n HIS 12 Cb 0.82 -1.68 0.00 0.00 0.12 0.00 0.00 29.99 29.24 1x4z n HIS 12 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x4z n GLY 13 N 2.23 -1.21 3.57 -1.39 0.00 -1.26 -5.05 105.19 102.08 1x4z n GLY 13 Ca 0.35 0.70 -0.42 0.00 0.00 0.00 0.00 46.02 46.65 1x4z n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4z s ARG 14 N 1.27 3.77 0.40 1.61 1.81 -1.26 -4.97 118.95 121.59 1x4z s ARG 14 Ca 0.00 -1.51 -0.02 0.00 -1.72 0.00 0.00 55.73 52.48 1x4z s ARG 14 Cb 0.00 -5.44 0.08 0.00 -0.45 0.00 0.00 34.95 29.14 1x4z s ARG 14 CO 0.00 -2.24 0.55 1.28 -0.68 0.00 0.00 175.30 174.22 1x4z n LEU 15 N 8.68 0.00 -3.97 2.53 4.77 -1.26 -5.11 117.00 122.64 1x4z n LEU 15 Ca 0.40 -1.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.26 1x4z n LEU 15 Cb 0.49 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1x4z n LEU 15 CO 0.71 -0.80 -0.18 -0.44 -1.33 0.00 0.00 177.39 175.35 1x4z s SER 16 N -3.20 0.23 1.01 -1.43 0.01 -1.07 -5.11 113.70 104.15 1x4z s SER 16 Ca 0.35 -0.84 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 1x4z s SER 16 Cb -0.02 0.31 0.20 0.00 0.21 0.00 0.00 66.02 66.72 1x4z s SER 16 CO 0.24 -0.72 1.09 -2.16 0.41 0.00 0.00 173.24 172.10 1x4z s PRO 17 N -3.91 0.31 0.67 12.44 0.04 -1.26 -4.06 135.00 139.22 1x4z s PRO 17 Ca 0.09 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 1x4z s PRO 17 Cb 0.06 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.88 1x4z s PRO 17 CO -0.08 -2.80 1.11 -1.25 0.04 0.00 0.00 177.00 174.02 1x4z s PRO 18 N -4.97 2.75 0.46 0.56 0.04 -1.23 -3.31 135.00 129.30 1x4z s PRO 18 Ca 0.66 1.37 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1x4z s PRO 18 Cb -0.19 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1x4z s PRO 18 CO 0.58 -1.29 0.63 -1.83 0.04 0.00 0.00 177.00 175.13 1x4z s GLU 19 N -4.17 2.74 0.00 4.56 -1.05 -1.04 -3.74 118.70 115.99 1x4z s GLU 19 Ca 0.66 -1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.08 1x4z s GLU 19 Cb -0.20 -2.68 -0.07 0.00 -0.44 0.00 0.00 34.13 30.74 1x4z s GLU 19 CO 0.43 -0.41 1.67 0.00 0.95 0.00 0.00 175.26 177.90 1x4z s ALA 20 N -2.48 3.63 0.82 -0.84 0.00 -1.26 -4.46 121.76 117.18 1x4z s ALA 20 Ca 0.56 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 1x4z s ALA 20 Cb -0.10 -3.73 0.08 0.00 0.00 0.00 0.00 23.12 19.37 1x4z s ALA 20 CO 0.35 -1.28 1.09 -1.25 0.00 0.00 0.00 175.76 174.66 1x4z s PRO 21 N 3.50 1.90 0.98 0.00 0.04 -1.26 -4.75 135.00 135.40 1x4z s PRO 21 Ca 0.75 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1x4z s PRO 21 Cb -0.36 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.37 1x4z s PRO 21 CO 0.32 -1.86 -0.20 -3.47 0.04 0.00 0.00 177.00 171.83 1x4z n ASP 22 N -3.65 -2.71 -4.67 6.66 2.03 0.45 -4.45 116.55 110.20 1x4z n ASP 22 Ca 0.08 -0.19 -0.43 0.00 0.52 0.00 0.00 54.79 54.77 1x4z n ASP 22 Cb 0.54 -0.73 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 1x4z n ASP 22 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1x4z s ARG 23 N -3.00 4.34 0.41 -0.67 3.52 -1.26 -4.51 118.95 117.78 1x4z s ARG 23 Ca 0.38 1.34 -0.25 0.00 -0.13 0.00 0.00 55.73 57.07 1x4z s ARG 23 Cb -0.03 -3.59 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 1x4z s ARG 23 CO 0.46 -0.46 1.18 -1.25 -0.81 0.00 0.00 175.30 174.43 1x4z s PRO 24 N 2.55 3.99 0.48 5.12 0.04 -1.26 -4.75 135.00 141.17 1x4z s PRO 24 Ca 0.45 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.38 1x4z s PRO 24 Cb -0.17 -2.63 0.02 0.00 0.04 0.00 0.00 34.50 31.76 1x4z s PRO 24 CO 0.12 -0.38 0.69 -0.08 0.04 0.00 0.00 177.00 177.38 1x4z s THR 25 N -1.42 3.24 -0.12 1.26 -1.32 -0.08 -4.58 115.64 112.63 1x4z s THR 25 Ca 0.58 -0.69 0.01 0.00 -1.21 0.00 0.00 61.69 60.38 1x4z s THR 25 Cb -0.31 -3.18 0.02 0.00 -1.51 0.00 0.00 72.50 67.52 1x4z s THR 25 CO 0.39 -0.11 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.92 1x4z s ILE 26 N -2.59 1.43 0.23 5.08 -1.09 -1.26 -3.28 121.20 119.71 1x4z s ILE 26 Ca 0.53 -0.58 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 1x4z s ILE 26 Cb -0.10 -1.34 -0.05 0.00 -1.58 0.00 0.00 42.46 39.39 1x4z s ILE 26 CO 0.37 0.43 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.99 1x4z s SER 27 N 1.24 2.35 -0.75 3.58 0.01 0.29 -4.96 113.70 115.46 1x4z s SER 27 Ca -0.01 -1.12 -0.25 0.00 1.31 0.00 0.00 55.95 55.88 1x4z s SER 27 Cb -0.14 -0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.05 1x4z s SER 27 CO -0.05 -0.33 1.17 -0.89 0.41 0.00 0.00 173.24 173.55 1x4z s THR 28 N -3.14 4.01 -0.22 1.44 2.01 -1.26 -1.31 115.64 117.16 1x4z s THR 28 Ca 0.25 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.21 1x4z s THR 28 Cb 0.03 -4.84 -0.20 0.00 0.01 0.00 0.00 72.50 67.50 1x4z s THR 28 CO 0.08 -1.70 -0.06 0.00 -0.69 0.00 0.00 174.62 172.25 1x4z n ALA 29 N 8.57 1.38 -3.79 7.40 0.00 -1.24 -4.79 120.51 128.05 1x4z n ALA 29 Ca 0.04 -1.08 0.02 0.00 0.00 0.00 0.00 53.44 52.42 1x4z n ALA 29 Cb 0.48 -0.22 0.03 0.00 0.00 0.00 0.00 19.45 19.74 1x4z n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x4z n SER 30 N -3.18 -2.05 0.20 0.00 7.64 -0.18 -4.92 113.62 111.12 1x4z n SER 30 Ca -0.41 -2.34 0.09 0.00 1.01 0.00 0.00 58.87 57.23 1x4z n SER 30 Cb 1.03 3.40 0.14 0.00 -1.01 0.00 0.00 64.21 67.78 1x4z n SER 30 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1x4z h GLU 31 N 0.00 0.00 0.00 1.43 4.11 -1.98 -3.28 114.58 114.86 1x4z h GLU 31 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1x4z h GLU 31 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1x4z h GLU 31 CO 0.39 0.16 0.00 0.25 0.07 0.00 0.00 179.01 179.88 1x4z n THR 32 N -3.14 0.34 -4.02 -1.06 -2.24 -1.26 -3.89 114.28 99.01 1x4z n THR 32 Ca 0.03 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1x4z n THR 32 Cb 0.59 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 1x4z n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x4z s SER 33 N -0.34 0.10 0.00 3.42 1.04 -1.24 -1.59 113.70 115.10 1x4z s SER 33 Ca 0.00 -0.98 -0.06 0.00 0.48 0.00 0.00 55.95 55.39 1x4z s SER 33 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1x4z s SER 33 CO 0.00 -0.86 0.12 0.68 0.98 0.00 0.00 173.24 174.15 1x4z s VAL 34 N -4.00 0.09 -0.30 5.02 -7.23 -1.14 -1.02 120.40 111.83 1x4z s VAL 34 Ca 0.20 -0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 59.41 1x4z s VAL 34 Cb 0.04 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.58 1x4z s VAL 34 CO 0.01 -0.39 0.88 -0.31 -0.31 0.00 0.00 175.10 174.98 1x4z s TYR 35 N -1.39 3.21 -0.13 2.82 2.02 -0.43 -1.07 117.35 122.39 1x4z s TYR 35 Ca -0.15 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 57.52 1x4z s TYR 35 Cb -0.08 -3.31 -0.02 0.00 -0.40 0.00 0.00 41.96 38.15 1x4z s TYR 35 CO 0.01 -0.59 -0.10 0.08 -1.57 0.00 0.00 175.55 173.38 1x4z s VAL 36 N 3.12 3.30 -0.09 0.71 1.01 0.36 -0.55 120.40 128.27 1x4z s VAL 36 Ca 0.36 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1x4z s VAL 36 Cb -0.14 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1x4z s VAL 36 CO 0.12 0.53 -0.10 -0.89 0.00 0.00 0.00 175.10 174.76 1x4z s THR 37 N 0.21 1.08 0.37 3.92 2.01 -1.21 -0.42 115.64 121.61 1x4z s THR 37 Ca -0.06 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1x4z s THR 37 Cb -0.15 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 71.25 1x4z s THR 37 CO 0.04 0.36 0.04 -1.66 -0.69 0.00 0.00 174.62 172.72 1x4z s TRP 38 N 1.21 2.18 -0.19 4.92 -2.14 0.63 -0.90 118.94 124.65 1x4z s TRP 38 Ca -0.04 -0.86 -0.03 0.00 2.66 0.00 0.00 56.10 57.83 1x4z s TRP 38 Cb -0.14 -1.49 0.06 0.00 -3.10 0.00 0.00 33.47 28.79 1x4z s TRP 38 CO -0.03 0.18 0.04 0.42 -2.66 0.00 0.00 176.95 174.90 1x4z s ILE 39 N -3.04 0.48 0.43 0.66 -1.09 -1.26 -4.69 121.20 112.70 1x4z s ILE 39 Ca 0.34 -0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 58.00 1x4z s ILE 39 Cb 0.09 -0.99 -0.08 0.00 -1.58 0.00 0.00 42.46 39.89 1x4z s ILE 39 CO 0.16 -0.21 1.18 -2.16 -1.23 0.00 0.00 174.94 172.68 1x4z s PRO 40 N 1.88 3.89 0.00 2.79 0.04 -1.26 -0.41 135.00 141.93 1x4z s PRO 40 Ca -0.01 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 1x4z s PRO 40 Cb -0.17 -2.54 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 1x4z s PRO 40 CO -0.08 -0.45 -0.01 0.54 0.04 0.00 0.00 177.00 177.04 1x4z n ARG 41 N -0.21 0.01 -4.26 4.56 5.12 -1.26 -4.87 116.66 115.76 1x4z n ARG 41 Ca 0.06 0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.65 1x4z n ARG 41 Cb 0.47 -0.21 -0.08 0.00 -1.16 0.00 0.00 32.46 31.48 1x4z n ARG 41 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1x4z s GLY 42 N -3.10 1.91 0.00 -0.13 0.00 -1.26 -5.00 107.32 99.73 1x4z s GLY 42 Ca -0.01 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.89 1x4z s GLY 42 CO 0.01 -0.75 1.15 1.16 0.00 0.00 0.00 173.10 174.67 1x4z n ASN 43 N 1.50 2.58 0.00 1.64 6.94 -1.26 -2.51 115.26 124.15 1x4z n ASN 43 Ca -0.15 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 1x4z n ASN 43 Cb 0.53 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1x4z n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x4z n GLY 44 N 0.25 0.93 0.00 4.83 0.00 -1.21 -3.18 105.19 106.81 1x4z n GLY 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1x4z n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4z n GLY 45 N -2.01 1.96 3.79 -0.02 0.00 -1.26 -2.58 105.19 105.07 1x4z n GLY 45 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1x4z n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4z s PHE 46 N -2.01 2.93 -0.15 1.61 0.08 -1.19 -5.07 117.98 114.17 1x4z s PHE 46 Ca 0.00 -0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 1x4z s PHE 46 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.92 1x4z s PHE 46 CO 0.00 0.43 1.56 -1.25 -0.10 0.00 0.00 175.22 175.86 1x4z s PRO 47 N -3.85 4.01 0.15 0.24 0.04 -1.26 -4.66 135.00 129.66 1x4z s PRO 47 Ca 0.35 1.84 -0.34 0.00 0.04 0.00 0.00 61.00 62.90 1x4z s PRO 47 Cb -0.06 -3.97 -0.16 0.00 0.04 0.00 0.00 34.50 30.35 1x4z s PRO 47 CO 0.24 -1.03 1.20 -0.89 0.04 0.00 0.00 177.00 176.55 1x4z n ILE 48 N 5.90 0.67 -0.09 0.56 5.41 -1.26 -4.74 119.36 125.81 1x4z n ILE 48 Ca 0.17 -0.17 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 1x4z n ILE 48 Cb 0.44 -0.81 -0.09 0.00 -0.71 0.00 0.00 39.64 38.47 1x4z n ILE 48 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1x4z h GLN 49 N 3.62 0.00 -3.26 0.38 4.20 -1.81 -3.43 115.11 114.81 1x4z h GLN 49 Ca -0.44 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.23 1x4z h GLN 49 Cb 1.34 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 29.00 1x4z h GLN 49 CO 0.72 0.75 0.03 -1.12 -0.67 0.00 0.00 178.83 178.53 1x4z s SER 50 N -6.54 -0.35 0.43 1.46 0.01 -0.90 -4.53 113.70 103.28 1x4z s SER 50 Ca -0.25 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 56.86 1x4z s SER 50 Cb 0.05 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 1x4z s SER 50 CO 0.50 -0.91 0.31 -0.36 0.41 0.00 0.00 173.24 173.19 1x4z s PHE 51 N -3.79 2.51 -0.08 2.43 0.08 -1.12 -0.91 117.98 117.11 1x4z s PHE 51 Ca 0.03 -0.58 -0.03 0.00 0.12 0.00 0.00 56.93 56.47 1x4z s PHE 51 Cb 0.01 -2.06 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1x4z s PHE 51 CO -0.11 -0.07 0.16 1.03 -0.10 0.00 0.00 175.22 176.13 1x4z s ARG 52 N -4.07 0.06 -0.29 0.44 0.52 0.76 -3.70 118.95 112.66 1x4z s ARG 52 Ca 0.44 0.50 -0.09 0.00 -0.52 0.00 0.00 55.73 56.06 1x4z s ARG 52 Cb -0.01 -0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.22 1x4z s ARG 52 CO 0.25 -0.25 0.14 0.08 0.02 0.00 0.00 175.30 175.53 1x4z s VAL 53 N 1.89 4.60 0.20 3.52 1.01 -1.23 0.06 120.40 130.45 1x4z s VAL 53 Ca -0.02 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1x4z s VAL 53 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1x4z s VAL 53 CO -0.06 0.15 -0.12 -1.61 0.00 0.00 0.00 175.10 173.45 1x4z s GLU 54 N 1.63 1.95 0.27 2.72 2.02 -1.13 0.09 118.70 126.25 1x4z s GLU 54 Ca 0.05 -1.37 0.02 0.00 0.02 0.00 0.00 54.97 53.69 1x4z s GLU 54 Cb -0.16 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.94 1x4z s GLU 54 CO 0.06 0.41 0.09 1.52 0.02 0.00 0.00 175.26 177.37 1x4z s TYR 55 N -1.82 1.60 -0.05 1.61 -0.85 0.12 -0.11 117.35 117.85 1x4z s TYR 55 Ca 0.25 -1.16 -0.02 0.00 -0.52 0.00 0.00 57.07 55.62 1x4z s TYR 55 Cb -0.08 -0.95 0.03 0.00 0.38 0.00 0.00 41.96 41.34 1x4z s TYR 55 CO 0.15 -0.30 0.10 0.21 -1.52 0.00 0.00 175.55 174.19 1x4z s LYS 56 N -4.00 0.06 -0.03 -3.49 2.20 -1.15 -0.15 119.74 113.17 1x4z s LYS 56 Ca 0.37 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 1x4z s LYS 56 Cb 0.08 -0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.21 1x4z s LYS 56 CO 0.14 -0.14 0.98 0.15 -0.36 0.00 0.00 175.35 176.12 1x4z s LYS 57 N 0.96 4.52 0.18 4.03 1.02 -1.26 -2.21 119.74 126.98 1x4z s LYS 57 Ca -0.08 1.40 -0.11 0.00 0.02 0.00 0.00 55.97 57.20 1x4z s LYS 57 Cb -0.10 -3.48 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 1x4z s LYS 57 CO -0.04 -0.11 0.52 -0.51 -0.92 0.00 0.00 175.35 174.29 1x4z s LEU 58 N 1.24 4.26 -1.27 3.17 1.43 0.45 -4.08 118.68 123.88 1x4z s LEU 58 Ca 0.51 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.54 1x4z s LEU 58 Cb -0.20 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1x4z s LEU 58 CO 0.25 0.03 0.07 0.29 0.23 0.00 0.00 176.35 177.23 1x4z n LYS 59 N 0.35 -2.35 -3.16 1.70 4.76 -1.26 -4.68 118.16 113.52 1x4z n LYS 59 Ca -0.03 0.70 -0.10 0.00 -2.87 0.00 0.00 58.31 56.01 1x4z n LYS 59 Cb 0.52 -5.34 -0.04 0.00 -1.84 0.00 0.00 35.03 28.33 1x4z n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1x4z n LYS 60 N -3.00 0.25 -4.51 1.97 4.76 -1.26 -5.14 118.16 111.24 1x4z n LYS 60 Ca -0.16 -1.73 -0.34 0.00 -2.87 0.00 0.00 58.31 53.21 1x4z n LYS 60 Cb 0.62 1.39 -0.11 0.00 -1.84 0.00 0.00 35.03 35.09 1x4z n LYS 60 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x4z s VAL 61 N -2.68 3.94 0.00 -0.18 0.11 -1.26 -5.01 120.40 115.32 1x4z s VAL 61 Ca 0.20 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1x4z s VAL 61 Cb 0.01 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 1x4z s VAL 61 CO 0.14 0.59 0.00 0.61 -3.33 0.00 0.00 175.10 173.11 1x4z n GLY 62 N 2.37 3.80 2.97 6.54 0.00 -1.26 -4.99 105.19 114.63 1x4z n GLY 62 Ca -0.18 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 1x4z n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x4z n ASP 63 N 0.00 0.40 -4.58 1.61 8.00 -1.26 -4.64 116.55 116.08 1x4z n ASP 63 Ca 0.00 -1.54 -0.40 0.00 0.71 0.00 0.00 54.79 53.56 1x4z n ASP 63 Cb 0.00 -0.69 0.03 0.00 -0.02 0.00 0.00 41.12 40.44 1x4z n ASP 63 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1x4z n TRP 64 N -3.12 0.68 -4.32 1.24 7.02 -1.26 -4.75 117.44 112.93 1x4z n TRP 64 Ca 0.13 0.51 -0.21 0.00 -1.02 0.00 0.00 57.50 56.91 1x4z n TRP 64 Cb 0.45 -2.15 -0.11 0.00 -2.42 0.00 0.00 31.31 27.08 1x4z n TRP 64 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1x4z s ILE 65 N -1.42 1.74 -0.22 -0.99 -1.09 0.79 -4.93 121.20 115.08 1x4z s ILE 65 Ca 0.67 -1.89 -0.22 0.00 -2.23 0.00 0.00 60.65 56.99 1x4z s ILE 65 Cb -0.50 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.56 1x4z s ILE 65 CO 0.54 -0.33 0.68 -0.22 -1.23 0.00 0.00 174.94 174.37 1x4z s LEU 66 N -2.64 4.11 -0.03 2.97 2.96 -1.26 -0.70 118.68 124.09 1x4z s LEU 66 Ca 0.15 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1x4z s LEU 66 Cb -0.05 -2.95 -0.00 0.00 0.50 0.00 0.00 46.19 43.68 1x4z s LEU 66 CO 0.06 -0.35 -0.02 0.00 -1.32 0.00 0.00 176.35 174.72 1x4z h ALA 67 N 7.63 0.00 -4.97 5.97 0.00 -0.70 -3.48 119.26 123.70 1x4z h ALA 67 Ca -0.28 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 53.89 1x4z h ALA 67 Cb 1.13 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1x4z h ALA 67 CO 0.79 0.06 -0.47 -2.37 0.00 0.00 0.00 179.25 177.26 1x4z n THR 68 N -2.79 0.00 -3.71 0.00 5.66 -1.20 -5.00 114.28 107.23 1x4z n THR 68 Ca -0.01 -2.41 -0.01 0.00 -3.05 0.00 0.00 64.05 58.57 1x4z n THR 68 Cb 0.03 0.81 -0.01 0.00 -1.55 0.00 0.00 70.33 69.62 1x4z n THR 68 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x4z s SER 69 N -3.58 -0.12 -0.67 1.09 1.04 -1.26 -3.48 113.70 106.72 1x4z s SER 69 Ca 0.18 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 1x4z s SER 69 Cb 0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x4z s SER 69 CO 0.13 -0.66 0.13 0.00 0.98 0.00 0.00 173.24 173.82 1x4z n ALA 70 N -0.49 -0.33 -2.23 5.32 0.00 -1.24 -5.01 120.51 116.53 1x4z n ALA 70 Ca -0.07 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 1x4z n ALA 70 Cb 0.61 -1.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1x4z n ALA 70 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x4z s ILE 71 N -2.62 4.62 0.71 0.00 1.01 -1.26 -4.92 121.20 118.74 1x4z s ILE 71 Ca 0.07 1.52 -0.13 0.00 0.00 0.00 0.00 60.65 62.10 1x4z s ILE 71 Cb -0.03 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1x4z s ILE 71 CO 0.08 0.47 1.10 -2.16 0.00 0.00 0.00 174.94 174.44 1x4z s PRO 72 N -0.71 2.54 0.45 2.79 0.04 -1.26 -2.77 135.00 136.07 1x4z s PRO 72 Ca 0.34 1.29 0.24 0.00 0.04 0.00 0.00 61.00 62.91 1x4z s PRO 72 Cb -0.21 -1.92 1.02 0.00 0.04 0.00 0.00 34.50 33.43 1x4z s PRO 72 CO 0.23 -1.44 1.88 -1.00 0.04 0.00 0.00 177.00 176.71 1x4z h PRO 73 N -0.52 0.00 0.00 0.56 0.13 -1.84 -2.60 132.00 127.74 1x4z h PRO 73 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x4z h PRO 73 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x4z h PRO 73 CO 0.53 0.23 0.00 1.03 -0.23 0.00 0.00 178.00 179.55 1x4z h SER 74 N 0.00 0.00 -3.28 1.44 0.87 -1.97 -3.41 113.55 107.20 1x4z h SER 74 Ca -0.00 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.84 1x4z h SER 74 Cb 0.65 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.41 1x4z h SER 74 CO 0.03 0.00 -0.19 -0.60 -0.53 0.00 0.00 176.83 175.54 1x4z s ARG 75 N -3.13 3.03 -0.09 2.24 3.52 -0.98 -4.89 118.95 118.65 1x4z s ARG 75 Ca 0.10 -1.19 0.19 0.00 -0.13 0.00 0.00 55.73 54.70 1x4z s ARG 75 Cb 0.11 -4.13 0.70 0.00 -1.56 0.00 0.00 34.95 30.07 1x4z s ARG 75 CO 0.60 -1.11 1.61 1.28 -0.81 0.00 0.00 175.30 176.87 1x4z n LEU 76 N 5.57 4.57 -3.68 -0.88 4.77 -1.26 -4.73 117.00 121.36 1x4z n LEU 76 Ca -0.10 -2.35 -0.12 0.00 -0.03 0.00 0.00 56.01 53.40 1x4z n LEU 76 Cb 0.44 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 1x4z n LEU 76 CO 0.50 0.85 0.24 -0.55 -1.33 0.00 0.00 177.39 177.10 1x4z s SER 77 N -0.95 -0.63 0.13 -1.43 0.15 -1.26 -0.27 113.70 109.45 1x4z s SER 77 Ca 0.50 1.16 -0.12 0.00 0.70 0.00 0.00 55.95 58.19 1x4z s SER 77 Cb 0.31 1.14 0.01 0.00 -1.71 0.00 0.00 66.02 65.77 1x4z s SER 77 CO 0.26 -0.20 0.32 0.68 1.20 0.00 0.00 173.24 175.50 1x4z s VAL 78 N 0.62 0.09 -0.32 4.45 -7.23 0.44 -4.97 120.40 113.48 1x4z s VAL 78 Ca -0.03 -1.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.98 1x4z s VAL 78 Cb -0.05 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1x4z s VAL 78 CO -0.04 -0.39 0.30 -0.70 -0.31 0.00 0.00 175.10 173.97 1x4z s GLU 79 N -3.88 3.71 -0.82 4.82 2.12 -1.26 -0.48 118.70 122.91 1x4z s GLU 79 Ca 0.08 -0.36 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 1x4z s GLU 79 Cb 0.03 -3.75 0.08 0.00 0.26 0.00 0.00 34.13 30.75 1x4z s GLU 79 CO -0.07 -0.40 1.15 0.42 -0.54 0.00 0.00 175.26 175.82 1x4z s ILE 80 N 1.91 4.29 0.67 -3.70 -1.09 -0.23 -4.85 121.20 118.20 1x4z s ILE 80 Ca 0.10 -0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 1x4z s ILE 80 Cb -0.16 -4.82 0.07 0.00 -1.58 0.00 0.00 42.46 35.97 1x4z s ILE 80 CO 0.11 -1.62 0.95 0.42 -1.23 0.00 0.00 174.94 173.57 1x4z s THR 81 N 4.05 2.37 -0.18 2.92 -4.23 -1.26 -2.87 115.64 116.44 1x4z s THR 81 Ca 0.31 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 1x4z s THR 81 Cb -0.09 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1x4z s THR 81 CO 0.01 0.00 0.15 0.61 -0.54 0.00 0.00 174.62 174.85 1x4z n GLY 82 N -2.76 0.58 3.87 3.99 0.00 -1.04 -4.95 105.19 104.89 1x4z n GLY 82 Ca 0.10 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1x4z n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4z s LEU 83 N -2.16 3.83 -0.22 0.99 1.43 -0.62 -5.07 118.68 116.86 1x4z s LEU 83 Ca 0.05 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1x4z s LEU 83 Cb -0.02 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1x4z s LEU 83 CO 0.10 -0.19 0.04 -1.61 0.23 0.00 0.00 176.35 174.93 1x4z s GLU 84 N -3.94 3.70 0.85 1.70 2.02 -1.26 -4.88 118.70 116.89 1x4z s GLU 84 Ca 0.37 -0.47 -0.10 0.00 0.02 0.00 0.00 54.97 54.79 1x4z s GLU 84 Cb -0.07 -3.21 0.10 0.00 0.10 0.00 0.00 34.13 31.05 1x4z s GLU 84 CO 0.27 -0.02 1.12 0.15 0.02 0.00 0.00 175.26 176.79 1x4z s LYS 85 N 1.14 1.59 -0.42 1.61 1.02 -1.26 -2.77 119.74 120.65 1x4z s LYS 85 Ca 0.04 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.40 1x4z s LYS 85 Cb -0.14 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1x4z s LYS 85 CO 0.03 -2.18 0.00 0.41 -0.92 0.00 0.00 175.35 172.69 1x4z n GLY 86 N -0.44 0.38 2.95 -3.33 0.00 0.04 -4.91 105.19 99.88 1x4z n GLY 86 Ca 0.11 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1x4z n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x4z s ILE 87 N -1.34 2.33 0.29 -0.61 -1.09 -1.12 -5.02 121.20 114.65 1x4z s ILE 87 Ca 0.00 -2.84 -0.30 0.00 -2.23 0.00 0.00 60.65 55.28 1x4z s ILE 87 Cb 0.00 -2.66 -0.11 0.00 -1.58 0.00 0.00 42.46 38.11 1x4z s ILE 87 CO 0.00 -0.73 1.55 -0.44 -1.23 0.00 0.00 174.94 174.09 1x4z s SER 88 N 0.27 6.44 0.16 3.58 0.01 -1.26 -4.56 113.70 118.34 1x4z s SER 88 Ca 0.15 2.88 -0.22 0.00 1.31 0.00 0.00 55.95 60.07 1x4z s SER 88 Cb -0.23 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.43 1x4z s SER 88 CO -0.04 -0.86 0.59 -0.72 0.41 0.00 0.00 173.24 172.62 1x4z s TYR 89 N -0.06 -0.50 0.54 2.43 -0.85 -1.13 -0.41 117.35 117.37 1x4z s TYR 89 Ca 0.62 0.27 0.06 0.00 -0.52 0.00 0.00 57.07 57.50 1x4z s TYR 89 Cb -0.46 0.54 0.06 0.00 0.38 0.00 0.00 41.96 42.48 1x4z s TYR 89 CO 0.47 -0.85 0.49 1.63 -1.52 0.00 0.00 175.55 175.77 1x4z n LYS 90 N -0.37 0.68 -4.06 -3.49 5.02 -0.94 -1.99 118.16 113.01 1x4z n LYS 90 Ca -0.16 -3.26 -0.08 0.00 -2.02 0.00 0.00 58.31 52.79 1x4z n LYS 90 Cb 0.65 0.22 -0.10 0.00 -0.02 0.00 0.00 35.03 35.77 1x4z n LYS 90 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1x4z s PHE 91 N -2.61 0.46 0.34 2.13 0.40 -1.26 -2.95 117.98 114.49 1x4z s PHE 91 Ca 0.37 -0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1x4z s PHE 91 Cb -0.03 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.17 1x4z s PHE 91 CO 0.23 -0.30 0.46 -0.98 0.70 0.00 0.00 175.22 175.33 1x4z s ARG 92 N -3.10 1.89 -0.01 0.44 1.70 0.84 -2.11 118.95 118.60 1x4z s ARG 92 Ca -0.00 -1.75 -0.01 0.00 -0.47 0.00 0.00 55.73 53.49 1x4z s ARG 92 Cb 0.02 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1x4z s ARG 92 CO -0.07 -0.78 0.03 0.08 -1.08 0.00 0.00 175.30 173.49 1x4z s VAL 93 N -3.11 0.01 -0.03 4.99 1.01 -1.26 -2.83 120.40 119.18 1x4z s VAL 93 Ca 0.31 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1x4z s VAL 93 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.31 1x4z s VAL 93 CO 0.20 -0.03 -0.09 -0.13 0.00 0.00 0.00 175.10 175.05 1x4z s ARG 94 N -0.08 0.94 -0.17 2.72 0.52 0.11 -2.86 118.95 120.12 1x4z s ARG 94 Ca -0.01 -0.29 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 1x4z s ARG 94 Cb -0.01 -0.88 -0.05 0.00 0.52 0.00 0.00 34.95 34.54 1x4z s ARG 94 CO 0.00 0.10 0.28 0.00 0.02 0.00 0.00 175.30 175.70 1x4z s ALA 95 N 0.23 3.60 -0.20 2.13 0.00 -1.26 -0.17 121.76 126.08 1x4z s ALA 95 Ca -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1x4z s ALA 95 Cb -0.09 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.70 1x4z s ALA 95 CO 0.00 0.08 -0.13 -0.51 0.00 0.00 0.00 175.76 175.21 1x4z s LEU 96 N 0.49 2.43 0.00 0.00 1.02 -0.09 0.18 118.68 122.72 1x4z s LEU 96 Ca 0.16 -0.91 0.00 0.00 0.02 0.00 0.00 54.13 53.40 1x4z s LEU 96 Cb -0.13 -1.35 0.00 0.00 0.02 0.00 0.00 46.19 44.74 1x4z s LEU 96 CO 0.03 -0.11 0.00 -0.46 0.02 0.00 0.00 176.35 175.83 1x4z n ASN 97 N 4.63 2.56 0.00 2.29 6.94 0.80 -2.12 115.26 130.36 1x4z n ASN 97 Ca -0.16 -1.91 0.06 0.00 -0.02 0.00 0.00 54.58 52.55 1x4z n ASN 97 Cb 0.47 0.14 0.35 0.00 -2.36 0.00 0.00 39.78 38.38 1x4z n ASN 97 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 1x4z n MET 98 N -0.52 0.32 -0.04 -3.83 0.00 -1.26 -1.78 117.12 110.00 1x4z n MET 98 Ca -0.09 0.06 -0.01 0.00 0.00 0.00 0.00 57.70 57.67 1x4z n MET 98 Cb 0.26 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.86 1x4z n MET 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1x4z n LEU 99 N -1.09 0.00 0.00 3.17 4.77 -1.26 -5.11 117.00 117.47 1x4z n LEU 99 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1x4z n LEU 99 Cb 0.06 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1x4z n LEU 99 CO 0.08 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1x4z n GLY 100 N 1.87 0.20 3.96 -0.72 0.00 -0.74 -4.70 105.19 105.06 1x4z n GLY 100 Ca -0.15 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 1x4z n GLY 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x4z s GLU 101 N -2.00 3.45 0.66 1.61 1.03 -1.26 -0.14 118.70 122.05 1x4z s GLU 101 Ca 0.00 -0.63 0.00 0.00 0.03 0.00 0.00 54.97 54.38 1x4z s GLU 101 Cb 0.00 -2.88 0.09 0.00 -0.80 0.00 0.00 34.13 30.54 1x4z s GLU 101 CO 0.00 0.42 0.91 -1.54 -1.33 0.00 0.00 175.26 173.72 1x4z s SER 102 N -3.70 4.69 0.70 0.83 1.04 0.47 -4.54 113.70 113.20 1x4z s SER 102 Ca 0.35 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.39 1x4z s SER 102 Cb -0.10 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.76 1x4z s SER 102 CO 0.30 -1.60 1.07 -1.61 0.98 0.00 0.00 173.24 172.38 1x4z s GLU 103 N -4.99 2.75 -0.51 4.02 2.02 -1.26 -4.62 118.70 116.10 1x4z s GLU 103 Ca 0.63 1.10 -0.27 0.00 0.02 0.00 0.00 54.97 56.45 1x4z s GLU 103 Cb -0.07 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1x4z s GLU 103 CO 0.42 -1.26 1.80 -1.25 0.02 0.00 0.00 175.26 175.00 1x4z s PRO 104 N -4.78 2.92 0.65 0.39 0.04 -1.26 -4.04 135.00 128.91 1x4z s PRO 104 Ca 0.61 0.88 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1x4z s PRO 104 Cb -0.16 -4.30 -0.08 0.00 0.04 0.00 0.00 34.50 30.00 1x4z s PRO 104 CO 0.52 -2.37 0.36 -1.13 0.04 0.00 0.00 177.00 174.42 1x4z n SER 105 N 11.68 -1.76 -4.51 6.66 3.41 -1.14 -4.80 113.62 123.16 1x4z n SER 105 Ca 0.21 0.63 -0.45 0.00 -0.26 0.00 0.00 58.87 59.00 1x4z n SER 105 Cb 0.50 -1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 1x4z n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4z n ALA 106 N -2.01 -1.23 -2.04 7.33 0.00 -1.26 -4.65 120.51 116.65 1x4z n ALA 106 Ca 0.10 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 1x4z n ALA 106 Cb 0.49 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1x4z n ALA 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x4z s PRO 107 N -1.39 2.65 0.85 0.00 0.04 -1.26 -4.59 135.00 131.30 1x4z s PRO 107 Ca 0.61 0.64 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 1x4z s PRO 107 Cb -0.76 -4.38 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 1x4z s PRO 107 CO 0.58 -2.70 0.15 -1.13 0.04 0.00 0.00 177.00 173.95 1x4z n SER 108 N 12.66 -2.75 -4.45 6.66 3.41 -0.90 -4.85 113.62 123.40 1x4z n SER 108 Ca 0.20 0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.85 1x4z n SER 108 Cb 0.52 -1.09 0.05 0.00 -0.26 0.00 0.00 64.21 63.43 1x4z n SER 108 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1x4z n ARG 109 N -0.24 0.41 -2.20 4.33 1.85 -1.26 -4.36 116.66 115.19 1x4z n ARG 109 Ca 0.06 0.17 -0.42 0.00 -1.00 0.00 0.00 57.85 56.66 1x4z n ARG 109 Cb 0.52 -1.72 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 1x4z n ARG 109 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1x4z s PRO 110 N -2.32 4.32 -0.17 2.89 0.04 -1.26 -4.67 135.00 133.83 1x4z s PRO 110 Ca 0.67 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1x4z s PRO 110 Cb -0.40 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 30.82 1x4z s PRO 110 CO 0.56 -0.45 -0.16 -0.47 0.04 0.00 0.00 177.00 176.52 1x4z s TYR 111 N 1.36 2.79 -0.54 0.56 5.04 -0.84 -4.94 117.35 120.77 1x4z s TYR 111 Ca 0.64 -1.29 -0.17 0.00 -2.44 0.00 0.00 57.07 53.81 1x4z s TYR 111 Cb -0.35 -1.92 0.11 0.00 0.35 0.00 0.00 41.96 40.15 1x4z s TYR 111 CO 0.29 -0.63 0.54 0.08 -1.34 0.00 0.00 175.55 174.50 1x4z s VAL 112 N 1.08 5.09 -0.42 3.14 1.01 -1.26 -2.82 120.40 126.23 1x4z s VAL 112 Ca -0.00 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.48 1x4z s VAL 112 Cb -0.14 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1x4z s VAL 112 CO -0.05 -0.88 1.78 -0.69 0.00 0.00 0.00 175.10 175.26 1x4z s VAL 113 N 1.96 3.48 -0.24 2.92 1.01 -1.26 -4.83 120.40 123.44 1x4z s VAL 113 Ca 0.06 0.45 0.14 0.00 0.00 0.00 0.00 61.98 62.63 1x4z s VAL 113 Cb -0.27 -3.77 0.68 0.00 0.00 0.00 0.00 36.38 33.02 1x4z s VAL 113 CO 0.05 -0.58 1.63 -0.24 0.00 0.00 0.00 175.10 175.97 1x4z n SER 114 N 10.87 4.63 0.00 3.32 2.88 -1.26 -0.78 113.62 133.28 1x4z n SER 114 Ca 0.22 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1x4z n SER 114 Cb 0.48 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1x4z n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4z n GLY 115 N -0.11 2.42 3.52 0.46 0.00 -1.25 -4.54 105.19 105.68 1x4z n GLY 115 Ca 0.30 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1x4z n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4z s SER 116 N -4.00 6.35 0.00 1.61 0.01 -1.26 -4.24 113.70 112.17 1x4z s SER 116 Ca 0.00 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1x4z s SER 116 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x4z s SER 116 CO 0.00 -1.53 0.00 0.61 0.41 0.00 0.00 173.24 172.73 1x4z n GLY 117 N 5.86 2.73 3.74 3.44 0.00 -1.26 -5.07 105.19 114.63 1x4z n GLY 117 Ca 0.14 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1x4z n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4z s PRO 118 N 3.00 4.41 -0.06 1.61 0.04 -1.26 -5.04 135.00 137.70 1x4z s PRO 118 Ca 0.00 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1x4z s PRO 118 Cb 0.00 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1x4z s PRO 118 CO 0.00 -0.20 -0.23 -1.12 0.04 0.00 0.00 177.00 175.49 1x4z s SER 119 N 0.11 3.22 0.19 6.66 0.01 -1.26 -5.04 113.70 117.58 1x4z s SER 119 Ca 0.54 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 57.20 1x4z s SER 119 Cb -0.36 -0.89 0.01 0.00 0.21 0.00 0.00 66.02 64.98 1x4z s SER 119 CO 0.40 0.25 0.41 -0.94 0.41 0.00 0.00 173.24 173.78 1x4z s SER 120 N -0.18 -0.11 0.00 2.44 1.04 -1.26 -5.28 113.70 110.36 1x4z s SER 120 Ca -0.03 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 55.80 1x4z s SER 120 Cb -0.14 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.58 1x4z s SER 120 CO 0.04 -0.99 0.81 0.61 0.98 0.00 0.00 173.24 174.68