#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 -0.01 -1.12 1.61 0.01 -1.26 -4.89 113.70 108.05 1x4z s SER 2 Ca 0.00 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 1x4z s SER 2 Cb 0.00 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1x4z s SER 2 CO 0.00 -0.18 0.96 -1.20 0.41 0.00 0.00 173.24 173.23 1x4z n SER 3 N 4.55 -4.06 -4.82 2.44 7.64 -1.26 -4.99 113.62 113.12 1x4z n SER 3 Ca -0.20 -0.50 -0.38 0.00 1.01 0.00 0.00 58.87 58.80 1x4z n SER 3 Cb 0.52 -4.49 -0.06 0.00 -1.01 0.00 0.00 64.21 59.17 1x4z n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4z s GLY 4 N -3.70 2.59 -0.05 0.23 0.00 -1.26 -5.08 107.32 100.05 1x4z s GLY 4 Ca 0.27 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1x4z s GLY 4 CO 0.64 0.32 -0.12 -1.35 0.00 0.00 0.00 173.10 172.59 1x4z s SER 5 N -1.16 1.68 0.66 1.64 1.04 -1.26 -5.15 113.70 111.15 1x4z s SER 5 Ca 0.28 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.35 1x4z s SER 5 Cb -0.18 -0.58 0.02 0.00 0.10 0.00 0.00 66.02 65.38 1x4z s SER 5 CO 0.17 0.08 1.00 -0.94 0.98 0.00 0.00 173.24 174.53 1x4z s SER 6 N 0.33 5.39 0.00 7.02 1.04 -1.26 -5.08 113.70 121.14 1x4z s SER 6 Ca -0.08 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1x4z s SER 6 Cb -0.12 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1x4z s SER 6 CO 0.02 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1x4z n GLY 7 N -2.82 1.03 3.20 7.32 0.00 -1.26 -5.18 105.19 107.49 1x4z n GLY 7 Ca 0.06 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1x4z n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4z s SER 8 N 0.00 -0.21 0.00 1.61 0.01 -1.26 -5.17 113.70 108.69 1x4z s SER 8 Ca 0.00 0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.55 1x4z s SER 8 Cb 0.00 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 1x4z s SER 8 CO 0.00 -0.32 -0.17 0.00 0.41 0.00 0.00 173.24 173.17 1x4z s GLN 9 N -0.80 2.25 0.41 12.44 -2.07 -1.26 -5.11 119.66 125.52 1x4z s GLN 9 Ca -0.09 -0.86 -0.25 0.00 -1.82 0.00 0.00 55.36 52.34 1x4z s GLN 9 Cb -0.04 -2.26 -0.08 0.00 -1.09 0.00 0.00 33.01 29.54 1x4z s GLN 9 CO 0.03 0.57 1.19 -1.25 -1.32 0.00 0.00 175.29 174.51 1x4z s PRO 10 N -1.12 3.99 -0.12 9.60 0.04 -1.26 -4.98 135.00 141.16 1x4z s PRO 10 Ca 0.13 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1x4z s PRO 10 Cb -0.11 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.73 1x4z s PRO 10 CO 0.03 -0.38 -0.13 -3.47 0.04 0.00 0.00 177.00 173.09 1x4z n ASP 11 N -0.01 1.79 -4.56 6.66 2.03 -1.26 -4.91 116.55 116.29 1x4z n ASP 11 Ca 0.05 0.06 -0.40 0.00 0.52 0.00 0.00 54.79 55.02 1x4z n ASP 11 Cb 0.46 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 1x4z n ASP 11 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1x4z s HIS 12 N -2.22 1.91 0.80 -0.67 3.76 -1.26 -4.98 115.29 112.62 1x4z s HIS 12 Ca -0.16 0.52 -0.09 0.00 -0.15 0.00 0.00 55.06 55.18 1x4z s HIS 12 Cb 0.05 -4.27 0.12 0.00 1.11 0.00 0.00 32.58 29.59 1x4z s HIS 12 CO 0.23 -2.23 1.13 0.20 -0.85 0.00 0.00 174.74 173.22 1x4z s GLY 13 N 6.41 1.71 -1.45 -2.22 0.00 -1.26 -4.93 107.32 105.58 1x4z s GLY 13 Ca 0.58 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 1x4z s GLY 13 CO 0.20 -0.54 2.64 0.54 0.00 0.00 0.00 173.10 175.95 1x4z n ARG 14 N -3.23 3.18 -0.89 2.90 3.00 -1.26 -4.92 116.66 115.46 1x4z n ARG 14 Ca 0.11 -2.15 -0.15 0.00 -0.01 0.00 0.00 57.85 55.65 1x4z n ARG 14 Cb 0.60 -2.85 0.11 0.00 0.00 0.00 0.00 32.46 30.33 1x4z n ARG 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1x4z n LEU 15 N 4.36 0.00 -4.01 0.55 4.77 -1.26 -5.11 117.00 116.29 1x4z n LEU 15 Ca 0.67 -0.72 -0.08 0.00 -0.03 0.00 0.00 56.01 55.84 1x4z n LEU 15 Cb 0.25 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1x4z n LEU 15 CO 0.85 -1.14 -0.23 -0.44 -1.33 0.00 0.00 177.39 175.09 1x4z s SER 16 N -3.42 0.30 0.98 -1.43 0.01 -1.06 -5.11 113.70 103.97 1x4z s SER 16 Ca 0.39 -0.91 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 1x4z s SER 16 Cb -0.02 0.28 0.18 0.00 0.21 0.00 0.00 66.02 66.67 1x4z s SER 16 CO 0.28 -0.69 1.09 -2.16 0.41 0.00 0.00 173.24 172.17 1x4z s PRO 17 N -3.93 0.55 0.76 12.44 0.04 -1.26 -4.08 135.00 139.52 1x4z s PRO 17 Ca 0.10 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 1x4z s PRO 17 Cb 0.06 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.91 1x4z s PRO 17 CO -0.07 -2.66 1.09 -1.25 0.04 0.00 0.00 177.00 174.15 1x4z s PRO 18 N -4.96 2.32 0.25 0.56 0.04 -1.21 -3.38 135.00 128.63 1x4z s PRO 18 Ca 0.65 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1x4z s PRO 18 Cb -0.18 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1x4z s PRO 18 CO 0.58 -1.60 0.26 -1.83 0.04 0.00 0.00 177.00 174.44 1x4z s GLU 19 N -4.79 3.12 -0.02 4.56 -1.05 -1.01 -3.74 118.70 115.77 1x4z s GLU 19 Ca 0.62 -0.95 -0.34 0.00 -0.15 0.00 0.00 54.97 54.16 1x4z s GLU 19 Cb -0.18 -2.69 -0.12 0.00 -0.44 0.00 0.00 34.13 30.71 1x4z s GLU 19 CO 0.54 0.41 1.83 0.00 0.95 0.00 0.00 175.26 178.99 1x4z n ALA 20 N -1.27 1.08 -1.22 -0.84 0.00 -1.25 -4.57 120.51 112.44 1x4z n ALA 20 Ca -0.08 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 1x4z n ALA 20 Cb 0.58 -2.49 0.13 0.00 0.00 0.00 0.00 19.45 17.66 1x4z n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x4z s PRO 21 N 3.43 1.48 1.09 0.00 0.04 -1.26 -4.75 135.00 135.03 1x4z s PRO 21 Ca 0.89 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 1x4z s PRO 21 Cb -0.66 -1.83 0.18 0.00 0.04 0.00 0.00 34.50 32.23 1x4z s PRO 21 CO 0.48 -2.11 0.31 -3.47 0.04 0.00 0.00 177.00 172.25 1x4z n ASP 22 N -3.80 -3.00 -4.68 6.66 2.03 0.28 -4.45 116.55 109.58 1x4z n ASP 22 Ca 0.07 -0.39 -0.43 0.00 0.52 0.00 0.00 54.79 54.57 1x4z n ASP 22 Cb 0.55 -0.84 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 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 -3.65 4.38 0.38 -0.67 3.52 -1.26 -4.51 118.95 117.14 1x4z s ARG 23 Ca 0.44 1.38 -0.26 0.00 -0.13 0.00 0.00 55.73 57.16 1x4z s ARG 23 Cb -0.08 -3.57 -0.09 0.00 -1.56 0.00 0.00 34.95 29.65 1x4z s ARG 23 CO 0.44 -0.40 1.20 -1.25 -0.81 0.00 0.00 175.30 174.47 1x4z s PRO 24 N 2.33 4.13 0.45 5.12 0.04 -1.26 -4.71 135.00 141.10 1x4z s PRO 24 Ca 0.47 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.47 1x4z s PRO 24 Cb -0.17 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.59 1x4z s PRO 24 CO 0.15 -0.28 0.64 -0.08 0.04 0.00 0.00 177.00 177.47 1x4z s THR 25 N -1.34 3.53 -0.17 1.26 -1.32 0.31 -4.51 115.64 113.41 1x4z s THR 25 Ca 0.55 -0.71 0.01 0.00 -1.21 0.00 0.00 61.69 60.32 1x4z s THR 25 Cb -0.33 -3.28 0.03 0.00 -1.51 0.00 0.00 72.50 67.41 1x4z s THR 25 CO 0.42 -0.16 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.90 1x4z s ILE 26 N -2.50 1.64 0.39 5.08 -1.09 -1.26 -2.91 121.20 120.55 1x4z s ILE 26 Ca 0.51 -0.79 0.08 0.00 -2.23 0.00 0.00 60.65 58.22 1x4z s ILE 26 Cb -0.10 -1.59 -0.07 0.00 -1.58 0.00 0.00 42.46 39.12 1x4z s ILE 26 CO 0.36 0.37 0.04 -0.44 -1.23 0.00 0.00 174.94 174.04 1x4z s SER 27 N 1.44 4.05 -0.62 3.58 0.01 0.15 -4.96 113.70 117.35 1x4z s SER 27 Ca 0.03 -1.22 -0.23 0.00 1.31 0.00 0.00 55.95 55.84 1x4z s SER 27 Cb -0.14 -0.43 0.06 0.00 0.21 0.00 0.00 66.02 65.72 1x4z s SER 27 CO -0.10 -0.41 0.95 -0.89 0.41 0.00 0.00 173.24 173.20 1x4z s THR 28 N -2.64 4.35 -0.18 1.44 2.01 -1.26 -1.78 115.64 117.57 1x4z s THR 28 Ca 0.36 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.29 1x4z s THR 28 Cb 0.06 -4.63 -0.15 0.00 0.01 0.00 0.00 72.50 67.79 1x4z s THR 28 CO 0.19 -1.34 -0.08 0.00 -0.69 0.00 0.00 174.62 172.70 1x4z n ALA 29 N 7.62 1.59 -3.76 7.40 0.00 -1.26 -4.77 120.51 127.33 1x4z n ALA 29 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1x4z n ALA 29 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1x4z n ALA 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x4z s SER 30 N -5.50 -0.05 0.24 0.00 0.01 -0.69 -4.92 113.70 102.78 1x4z s SER 30 Ca -0.19 -0.28 0.26 0.00 1.31 0.00 0.00 55.95 57.04 1x4z s SER 30 Cb 0.06 0.27 0.81 0.00 0.21 0.00 0.00 66.02 67.37 1x4z s SER 30 CO 0.52 -0.51 1.76 1.05 0.41 0.00 0.00 173.24 176.47 1x4z h GLU 31 N 2.00 0.00 -0.00 12.44 4.11 -1.88 -3.19 114.58 128.06 1x4z h GLU 31 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1x4z h GLU 31 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1x4z h GLU 31 CO 0.30 0.00 -0.18 0.25 0.07 0.00 0.00 179.01 179.45 1x4z n THR 32 N -2.34 0.00 -4.12 -1.06 -2.24 -1.26 -4.74 114.28 98.51 1x4z n THR 32 Ca 0.05 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1x4z n THR 32 Cb 0.41 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.22 0.25 -0.02 3.42 1.04 -1.21 -1.92 113.70 114.05 1x4z s SER 33 Ca 0.04 -1.26 -0.09 0.00 0.48 0.00 0.00 55.95 55.12 1x4z s SER 33 Cb 0.04 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1x4z s SER 33 CO 0.18 -1.01 0.19 0.68 0.98 0.00 0.00 173.24 174.26 1x4z s VAL 34 N -3.94 0.06 -0.35 5.02 -7.23 -0.99 -1.71 120.40 111.26 1x4z s VAL 34 Ca 0.32 -0.47 -0.27 0.00 -1.81 0.00 0.00 61.98 59.76 1x4z s VAL 34 Cb 0.03 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.56 1x4z s VAL 34 CO 0.13 -0.26 0.96 -0.31 -0.31 0.00 0.00 175.10 175.31 1x4z s TYR 35 N -0.98 3.11 -0.16 2.82 2.02 -0.73 -1.25 117.35 122.18 1x4z s TYR 35 Ca -0.11 0.92 -0.04 0.00 -0.37 0.00 0.00 57.07 57.47 1x4z s TYR 35 Cb -0.06 -3.62 -0.03 0.00 -0.40 0.00 0.00 41.96 37.85 1x4z s TYR 35 CO 0.02 -0.78 -0.02 0.08 -1.57 0.00 0.00 175.55 173.27 1x4z s VAL 36 N 3.48 4.01 -0.12 0.71 1.01 0.88 0.33 120.40 130.71 1x4z s VAL 36 Ca 0.40 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1x4z s VAL 36 Cb -0.12 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1x4z s VAL 36 CO 0.17 0.49 -0.09 -0.89 0.00 0.00 0.00 175.10 174.78 1x4z s THR 37 N 0.31 1.14 0.42 3.92 2.01 -1.14 -0.92 115.64 121.38 1x4z s THR 37 Ca -0.03 -0.37 0.07 0.00 0.31 0.00 0.00 61.69 61.67 1x4z s THR 37 Cb -0.14 -1.13 -0.07 0.00 0.01 0.00 0.00 72.50 71.17 1x4z s THR 37 CO 0.03 0.39 0.06 -1.66 -0.69 0.00 0.00 174.62 172.75 1x4z s TRP 38 N 1.61 2.49 -0.23 4.92 -2.14 -0.06 -0.53 118.94 125.00 1x4z s TRP 38 Ca 0.04 -0.67 -0.02 0.00 2.66 0.00 0.00 56.10 58.11 1x4z s TRP 38 Cb -0.13 -1.82 0.07 0.00 -3.10 0.00 0.00 33.47 28.49 1x4z s TRP 38 CO -0.08 0.35 0.06 0.42 -2.66 0.00 0.00 176.95 175.03 1x4z s ILE 39 N -2.69 0.61 0.25 0.66 -1.09 -1.26 -4.74 121.20 112.93 1x4z s ILE 39 Ca 0.35 -0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 57.65 1x4z s ILE 39 Cb 0.08 -1.23 -0.09 0.00 -1.58 0.00 0.00 42.46 39.64 1x4z s ILE 39 CO 0.18 -0.37 1.27 -2.16 -1.23 0.00 0.00 174.94 172.63 1x4z s PRO 40 N 1.80 4.42 -0.00 2.79 0.04 -1.26 -0.56 135.00 142.23 1x4z s PRO 40 Ca 0.02 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 1x4z s PRO 40 Cb -0.17 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 1x4z s PRO 40 CO -0.15 -0.15 -0.00 0.54 0.04 0.00 0.00 177.00 177.28 1x4z n ARG 41 N 1.90 0.00 -4.30 4.56 5.12 -1.26 -4.90 116.66 117.79 1x4z n ARG 41 Ca 0.03 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.63 1x4z n ARG 41 Cb 0.43 -0.38 -0.09 0.00 -1.16 0.00 0.00 32.46 31.26 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 -3.00 1.86 0.00 -0.13 0.00 -1.26 -5.00 107.32 99.79 1x4z s GLY 42 Ca -0.00 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 43.82 1x4z s GLY 42 CO 0.00 -0.85 0.95 1.16 0.00 0.00 0.00 173.10 174.36 1x4z n ASN 43 N 1.35 2.12 0.00 1.64 6.94 -1.26 -2.40 115.26 123.65 1x4z n ASN 43 Ca -0.14 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 1x4z n ASN 43 Cb 0.53 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.33 0.86 0.00 4.83 0.00 -1.22 -3.30 105.19 106.69 1x4z n GLY 44 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.16 1.93 3.81 -0.02 0.00 -1.26 -2.57 105.19 104.92 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 -2.04 3.00 -0.25 1.61 0.08 -1.23 -5.06 117.98 114.08 1x4z s PHE 46 Ca 0.00 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.57 1x4z s PHE 46 Cb 0.00 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 1x4z s PHE 46 CO 0.00 0.42 1.63 -1.25 -0.10 0.00 0.00 175.22 175.92 1x4z s PRO 47 N -3.87 3.71 -0.00 0.24 0.04 -1.26 -4.66 135.00 129.19 1x4z s PRO 47 Ca 0.35 1.58 -0.39 0.00 0.04 0.00 0.00 61.00 62.58 1x4z s PRO 47 Cb -0.07 -4.06 -0.19 0.00 0.04 0.00 0.00 34.50 30.22 1x4z s PRO 47 CO 0.25 -1.40 1.18 -0.89 0.04 0.00 0.00 177.00 176.18 1x4z n ILE 48 N 6.61 0.01 -0.06 0.56 5.41 -1.26 -4.76 119.36 125.86 1x4z n ILE 48 Ca 0.19 -0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.77 1x4z n ILE 48 Cb 0.46 -0.26 -0.13 0.00 -0.71 0.00 0.00 39.64 39.00 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 3.57 0.04 -2.99 0.38 4.20 -1.71 -3.41 115.11 115.19 1x4z h GLN 49 Ca -0.50 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.15 1x4z h GLN 49 Cb 1.40 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 29.11 1x4z h GLN 49 CO 0.70 1.04 0.22 -1.54 -0.67 0.00 0.00 178.83 178.58 1x4z s SER 50 N -6.55 -0.47 0.54 1.46 1.04 -0.69 -4.52 113.70 104.51 1x4z s SER 50 Ca -0.22 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.08 1x4z s SER 50 Cb 0.01 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1x4z s SER 50 CO 0.68 -1.09 0.43 -0.36 0.98 0.00 0.00 173.24 173.88 1x4z s PHE 51 N -3.80 1.69 -0.17 5.02 0.08 -1.03 -1.03 117.98 118.75 1x4z s PHE 51 Ca 0.04 -0.81 -0.06 0.00 0.12 0.00 0.00 56.93 56.23 1x4z s PHE 51 Cb -0.03 -1.95 0.08 0.00 -0.57 0.00 0.00 43.02 40.55 1x4z s PHE 51 CO -0.07 -0.50 0.35 1.03 -0.10 0.00 0.00 175.22 175.94 1x4z s ARG 52 N -4.30 0.25 -0.17 0.44 0.52 0.10 -3.70 118.95 112.09 1x4z s ARG 52 Ca 0.37 0.90 -0.06 0.00 -0.52 0.00 0.00 55.73 56.43 1x4z s ARG 52 Cb -0.02 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.57 1x4z s ARG 52 CO 0.23 -0.27 0.02 0.08 0.02 0.00 0.00 175.30 175.37 1x4z s VAL 53 N 2.53 4.38 0.05 3.52 1.01 -1.22 -0.02 120.40 130.65 1x4z s VAL 53 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1x4z s VAL 53 Cb -0.12 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1x4z s VAL 53 CO -0.11 0.48 -0.11 -1.61 0.00 0.00 0.00 175.10 173.74 1x4z s GLU 54 N 0.35 0.72 0.41 2.72 2.02 -1.19 -1.92 118.70 121.81 1x4z s GLU 54 Ca -0.00 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.24 1x4z s GLU 54 Cb -0.13 -0.65 -0.05 0.00 0.10 0.00 0.00 34.13 33.40 1x4z s GLU 54 CO 0.01 0.15 0.04 1.52 0.02 0.00 0.00 175.26 177.00 1x4z s TYR 55 N -1.13 2.13 -0.11 1.61 -0.85 -0.68 -0.55 117.35 117.76 1x4z s TYR 55 Ca -0.04 -0.89 -0.08 0.00 -0.52 0.00 0.00 57.07 55.54 1x4z s TYR 55 Cb -0.09 -1.53 0.04 0.00 0.38 0.00 0.00 41.96 40.76 1x4z s TYR 55 CO 0.01 0.18 0.29 0.21 -1.52 0.00 0.00 175.55 174.72 1x4z s LYS 56 N -3.80 0.30 -0.02 -3.49 2.20 -1.19 -0.33 119.74 113.42 1x4z s LYS 56 Ca 0.27 0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 56.11 1x4z s LYS 56 Cb 0.07 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1x4z s LYS 56 CO 0.13 -0.10 0.84 0.15 -0.36 0.00 0.00 175.35 176.01 1x4z s LYS 57 N 0.69 4.51 -0.15 4.03 1.02 -1.26 -2.16 119.74 126.42 1x4z s LYS 57 Ca -0.04 1.15 -0.14 0.00 0.02 0.00 0.00 55.97 56.96 1x4z s LYS 57 Cb -0.06 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 1x4z s LYS 57 CO -0.04 0.05 -0.27 1.28 -0.92 0.00 0.00 175.35 175.44 1x4z n LEU 58 N 3.68 1.70 -0.31 3.17 4.77 -0.28 -4.32 117.00 125.41 1x4z n LEU 58 Ca 0.02 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.29 1x4z n LEU 58 Cb 0.51 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1x4z n LEU 58 CO 0.49 -0.34 0.39 1.17 -1.33 0.00 0.00 177.39 177.77 1x4z n LYS 59 N -4.27 -0.33 -4.10 3.23 0.00 -1.25 -4.45 118.16 106.99 1x4z n LYS 59 Ca -0.11 1.19 -0.22 0.00 0.00 0.00 0.00 58.31 59.16 1x4z n LYS 59 Cb 0.41 -1.75 -0.04 0.00 0.00 0.00 0.00 35.03 33.65 1x4z n LYS 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1x4z s LYS 60 N -5.21 2.97 0.23 1.64 -2.85 -1.26 -5.08 119.74 110.18 1x4z s LYS 60 Ca -0.09 -1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 53.57 1x4z s LYS 60 Cb 0.08 -2.60 -0.10 0.00 -2.06 0.00 0.00 37.83 33.15 1x4z s LYS 60 CO 0.46 0.41 1.42 0.54 0.10 0.00 0.00 175.35 178.28 1x4z s VAL 61 N -2.07 2.78 0.00 1.79 0.11 -1.26 -4.73 120.40 117.02 1x4z s VAL 61 Ca 0.33 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 60.02 1x4z s VAL 61 Cb -0.08 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1x4z s VAL 61 CO 0.25 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1x4z n GLY 62 N 2.34 1.30 2.14 6.54 0.00 -1.26 -5.02 105.19 111.24 1x4z n GLY 62 Ca 0.07 0.37 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 1x4z n GLY 62 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x4z n ASP 63 N 0.00 -2.27 -4.76 1.61 5.68 -1.26 -4.00 116.55 111.55 1x4z n ASP 63 Ca 0.00 -0.80 -0.40 0.00 -0.50 0.00 0.00 54.79 53.09 1x4z n ASP 63 Cb 0.00 -0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 39.31 1x4z n ASP 63 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1x4z s TRP 64 N -2.06 3.45 0.38 2.11 0.52 -1.26 -4.42 118.94 117.66 1x4z s TRP 64 Ca 0.44 1.64 0.08 0.00 0.02 0.00 0.00 56.10 58.28 1x4z s TRP 64 Cb -0.05 -3.36 -0.07 0.00 -1.15 0.00 0.00 33.47 28.83 1x4z s TRP 64 CO 0.35 -0.84 -0.04 0.42 0.02 0.00 0.00 176.95 176.86 1x4z s ILE 65 N -1.18 2.12 -0.28 2.03 -1.09 0.55 -4.96 121.20 118.40 1x4z s ILE 65 Ca 0.46 -2.10 -0.10 0.00 -2.23 0.00 0.00 60.65 56.68 1x4z s ILE 65 Cb -0.33 -2.83 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1x4z s ILE 65 CO 0.43 -0.10 0.16 -0.22 -1.23 0.00 0.00 174.94 173.98 1x4z s LEU 66 N -3.66 3.92 -0.01 2.97 2.96 -1.26 -1.69 118.68 121.90 1x4z s LEU 66 Ca 0.34 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1x4z s LEU 66 Cb 0.06 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1x4z s LEU 66 CO 0.17 -0.08 -0.01 0.00 -1.32 0.00 0.00 176.35 175.11 1x4z h ALA 67 N 8.34 0.00 -4.88 5.97 0.00 -1.75 -3.48 119.26 123.47 1x4z h ALA 67 Ca -0.35 -0.17 -0.54 0.00 0.00 0.00 0.00 54.91 53.85 1x4z h ALA 67 Cb 1.18 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1x4z h ALA 67 CO 0.57 0.02 -0.44 -2.37 0.00 0.00 0.00 179.25 177.04 1x4z n THR 68 N -2.32 0.00 -3.91 0.00 5.66 -1.23 -4.98 114.28 107.51 1x4z n THR 68 Ca -0.00 -2.23 0.01 0.00 -3.05 0.00 0.00 64.05 58.77 1x4z n THR 68 Cb 0.01 0.74 0.01 0.00 -1.55 0.00 0.00 70.33 69.54 1x4z n THR 68 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1x4z n SER 69 N -1.51 -1.00 -2.54 1.09 3.41 -1.26 -3.40 113.62 108.42 1x4z n SER 69 Ca -0.08 -1.33 -0.20 0.00 -0.26 0.00 0.00 58.87 57.00 1x4z n SER 69 Cb 0.58 1.58 0.01 0.00 -0.26 0.00 0.00 64.21 66.12 1x4z n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4z n ALA 70 N -1.45 -0.75 -2.12 7.33 0.00 -1.24 -4.97 120.51 117.32 1x4z n ALA 70 Ca -0.09 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 1x4z n ALA 70 Cb 0.43 -2.91 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 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 -3.06 4.50 0.73 0.00 1.01 -1.26 -4.91 121.20 118.21 1x4z s ILE 71 Ca 0.14 1.65 -0.12 0.00 0.00 0.00 0.00 60.65 62.32 1x4z s ILE 71 Cb -0.06 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.33 1x4z s ILE 71 CO 0.18 0.48 1.10 -2.16 0.00 0.00 0.00 174.94 174.54 1x4z s PRO 72 N -0.84 2.44 0.34 2.79 0.04 -1.26 -2.45 135.00 136.06 1x4z s PRO 72 Ca 0.36 1.25 0.13 0.00 0.04 0.00 0.00 61.00 62.77 1x4z s PRO 72 Cb -0.22 -1.91 0.59 0.00 0.04 0.00 0.00 34.50 32.99 1x4z s PRO 72 CO 0.25 -1.51 1.74 -1.00 0.04 0.00 0.00 177.00 176.51 1x4z h PRO 73 N -0.73 0.00 0.00 0.56 0.13 -1.81 -2.66 132.00 127.49 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 0.52 0.47 0.00 0.43 -0.23 0.00 0.00 178.00 179.19 1x4z n SER 74 N -3.92 0.66 -4.48 1.44 7.64 -1.26 -4.57 113.62 109.13 1x4z n SER 74 Ca -0.01 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.05 1x4z n SER 74 Cb 0.49 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 1x4z n SER 74 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1x4z s ARG 75 N -3.19 3.09 0.00 1.43 3.52 -1.00 -4.90 118.95 117.89 1x4z s ARG 75 Ca 0.08 -0.93 0.15 0.00 -0.13 0.00 0.00 55.73 54.89 1x4z s ARG 75 Cb 0.11 -3.94 0.34 0.00 -1.56 0.00 0.00 34.95 29.90 1x4z s ARG 75 CO 0.48 -0.68 1.25 1.28 -0.81 0.00 0.00 175.30 176.82 1x4z n LEU 76 N 5.15 2.99 -3.71 -0.88 4.77 -1.26 -4.73 117.00 119.33 1x4z n LEU 76 Ca -0.11 -1.72 -0.11 0.00 -0.03 0.00 0.00 56.01 54.04 1x4z n LEU 76 Cb 0.48 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1x4z n LEU 76 CO 0.40 0.70 0.03 -0.55 -1.33 0.00 0.00 177.39 176.64 1x4z s SER 77 N -1.08 -0.46 0.28 -1.43 0.15 -1.26 -0.88 113.70 109.02 1x4z s SER 77 Ca 0.28 0.82 -0.01 0.00 0.70 0.00 0.00 55.95 57.74 1x4z s SER 77 Cb 0.15 0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 65.17 1x4z s SER 77 CO 0.21 -0.18 0.32 0.68 1.20 0.00 0.00 173.24 175.47 1x4z s VAL 78 N 1.18 0.00 -0.27 4.45 -7.23 -0.10 -4.98 120.40 113.46 1x4z s VAL 78 Ca -0.08 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1x4z s VAL 78 Cb -0.08 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.38 1x4z s VAL 78 CO -0.10 0.00 0.01 -0.70 -0.31 0.00 0.00 175.10 174.00 1x4z s GLU 79 N -3.64 2.96 -0.58 4.82 2.12 -1.26 -0.09 118.70 123.03 1x4z s GLU 79 Ca 0.35 -0.92 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 1x4z s GLU 79 Cb 0.03 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.28 1x4z s GLU 79 CO 0.18 -0.42 1.02 0.42 -0.54 0.00 0.00 175.26 175.92 1x4z s ILE 80 N 1.41 4.25 0.41 -3.70 -1.09 -0.38 -4.86 121.20 117.24 1x4z s ILE 80 Ca 0.01 0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.86 1x4z s ILE 80 Cb -0.17 -4.62 0.01 0.00 -1.58 0.00 0.00 42.46 36.10 1x4z s ILE 80 CO -0.01 -1.25 0.57 0.42 -1.23 0.00 0.00 174.94 173.44 1x4z s THR 81 N 4.31 3.33 0.00 2.92 -4.23 -1.26 -2.35 115.64 118.35 1x4z s THR 81 Ca 0.33 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1x4z s THR 81 Cb -0.11 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1x4z s THR 81 CO 0.19 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1x4z n GLY 82 N -1.86 0.95 3.94 3.99 0.00 -1.14 -4.97 105.19 106.10 1x4z n GLY 82 Ca 0.05 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.67 3.59 -0.16 0.99 1.43 -0.81 -5.09 118.68 117.98 1x4z s LEU 83 Ca 0.00 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1x4z s LEU 83 Cb 0.00 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1x4z s LEU 83 CO 0.00 -0.63 -0.10 -1.61 0.23 0.00 0.00 176.35 174.24 1x4z s GLU 84 N -4.20 3.40 0.64 1.70 0.41 -1.26 -4.89 118.70 114.49 1x4z s GLU 84 Ca 0.50 -0.66 -0.16 0.00 -0.41 0.00 0.00 54.97 54.23 1x4z s GLU 84 Cb -0.07 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.52 1x4z s GLU 84 CO 0.30 0.10 1.14 0.15 -0.49 0.00 0.00 175.26 176.47 1x4z s LYS 85 N 0.66 2.79 -0.25 1.61 1.02 -1.26 -3.03 119.74 121.27 1x4z s LYS 85 Ca -0.06 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.49 1x4z s LYS 85 Cb -0.15 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1x4z s LYS 85 CO 0.02 -1.29 0.00 0.41 -0.92 0.00 0.00 175.35 173.57 1x4z n GLY 86 N -0.10 0.49 2.96 -3.33 0.00 -0.19 -4.98 105.19 100.03 1x4z n GLY 86 Ca 0.12 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.76 1.56 0.25 -0.61 -1.09 -1.17 -5.02 121.20 113.36 1x4z s ILE 87 Ca 0.00 -1.14 -0.30 0.00 -2.23 0.00 0.00 60.65 56.99 1x4z s ILE 87 Cb 0.00 -1.76 -0.09 0.00 -1.58 0.00 0.00 42.46 39.03 1x4z s ILE 87 CO 0.00 -0.00 1.03 -0.44 -1.23 0.00 0.00 174.94 174.30 1x4z s SER 88 N 1.40 7.43 0.23 3.58 0.01 -1.26 -4.25 113.70 120.84 1x4z s SER 88 Ca -0.04 2.11 -0.22 0.00 1.31 0.00 0.00 55.95 59.11 1x4z s SER 88 Cb -0.18 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.47 1x4z s SER 88 CO -0.07 -0.03 0.72 -0.72 0.41 0.00 0.00 173.24 173.55 1x4z s TYR 89 N -1.04 -0.27 0.37 2.43 -0.85 -1.20 -1.12 117.35 115.66 1x4z s TYR 89 Ca 0.44 -0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.90 1x4z s TYR 89 Cb -0.29 0.66 0.02 0.00 0.38 0.00 0.00 41.96 42.74 1x4z s TYR 89 CO 0.36 -1.10 0.18 1.63 -1.52 0.00 0.00 175.55 175.11 1x4z n LYS 90 N -0.44 1.01 -3.93 -3.49 5.02 -0.92 -1.54 118.16 113.88 1x4z n LYS 90 Ca -0.07 -2.44 -0.10 0.00 -2.02 0.00 0.00 58.31 53.68 1x4z n LYS 90 Cb 0.61 0.41 -0.10 0.00 -0.02 0.00 0.00 35.03 35.92 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 -2.02 0.17 0.34 2.13 0.40 -1.26 -3.14 117.98 114.61 1x4z s PHE 91 Ca 0.14 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1x4z s PHE 91 Cb -0.01 -0.13 -0.02 0.00 0.51 0.00 0.00 43.02 43.36 1x4z s PHE 91 CO 0.09 -0.30 0.33 -0.98 0.70 0.00 0.00 175.22 175.06 1x4z s ARG 92 N -1.97 1.83 -0.10 0.44 1.70 0.28 -2.32 118.95 118.81 1x4z s ARG 92 Ca -0.11 -2.00 -0.09 0.00 -0.47 0.00 0.00 55.73 53.07 1x4z s ARG 92 Cb -0.05 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1x4z s ARG 92 CO -0.02 -0.70 0.27 0.08 -1.08 0.00 0.00 175.30 173.85 1x4z s VAL 93 N -3.30 0.00 0.00 4.99 1.01 -1.25 -3.18 120.40 118.67 1x4z s VAL 93 Ca 0.39 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1x4z s VAL 93 Cb 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1x4z s VAL 93 CO 0.27 -0.00 -0.13 -0.13 0.00 0.00 0.00 175.10 175.11 1x4z s ARG 94 N 0.12 1.00 -0.23 2.72 0.52 0.97 -2.80 118.95 121.25 1x4z s ARG 94 Ca -0.00 -0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 54.58 1x4z s ARG 94 Cb -0.02 -0.97 -0.05 0.00 0.52 0.00 0.00 34.95 34.43 1x4z s ARG 94 CO 0.00 0.26 0.13 0.00 0.02 0.00 0.00 175.30 175.72 1x4z s ALA 95 N -0.44 3.52 -0.17 2.13 0.00 -1.26 -0.72 121.76 124.82 1x4z s ALA 95 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1x4z s ALA 95 Cb -0.06 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1x4z s ALA 95 CO -0.00 -0.18 -0.17 -0.51 0.00 0.00 0.00 175.76 174.89 1x4z s LEU 96 N 1.04 2.00 0.00 0.00 1.02 -0.19 0.56 118.68 123.10 1x4z s LEU 96 Ca 0.06 -0.61 0.01 0.00 0.02 0.00 0.00 54.13 53.61 1x4z s LEU 96 Cb -0.14 -1.37 -0.00 0.00 0.02 0.00 0.00 46.19 44.70 1x4z s LEU 96 CO 0.04 -0.03 0.02 -0.46 0.02 0.00 0.00 176.35 175.94 1x4z n ASN 97 N 4.67 2.07 0.00 2.29 6.94 0.67 -1.70 115.26 130.21 1x4z n ASN 97 Ca -0.19 -1.92 0.05 0.00 -0.02 0.00 0.00 54.58 52.50 1x4z n ASN 97 Cb 0.50 0.24 0.31 0.00 -2.36 0.00 0.00 39.78 38.47 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 -0.48 0.26 -0.04 -3.83 0.00 -1.26 -1.70 117.12 110.07 1x4z n MET 98 Ca -0.07 0.08 -0.00 0.00 0.00 0.00 0.00 57.70 57.72 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 -1.13 0.00 0.00 3.17 4.77 -1.26 -5.11 117.00 117.44 1x4z n LEU 99 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 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 0.07 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1x4z n GLY 100 N 1.84 0.28 3.91 -0.72 0.00 -0.69 -4.68 105.19 105.14 1x4z n GLY 100 Ca -0.14 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 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 3.27 0.39 1.61 -1.05 -1.26 -0.24 118.70 119.43 1x4z s GLU 101 Ca 0.00 -0.79 0.06 0.00 -0.15 0.00 0.00 54.97 54.09 1x4z s GLU 101 Cb 0.00 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 1x4z s GLU 101 CO 0.00 0.46 0.55 -1.54 0.95 0.00 0.00 175.26 175.67 1x4z s SER 102 N -3.65 5.79 0.84 0.83 1.04 0.19 -4.61 113.70 114.14 1x4z s SER 102 Ca 0.34 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.43 1x4z s SER 102 Cb -0.09 -1.02 0.10 0.00 0.10 0.00 0.00 66.02 65.11 1x4z s SER 102 CO 0.27 -0.63 1.17 -1.61 0.98 0.00 0.00 173.24 173.43 1x4z s GLU 103 N -4.31 1.47 -0.22 4.02 8.01 -1.26 -4.55 118.70 121.86 1x4z s GLU 103 Ca 0.50 1.62 -0.29 0.00 0.01 0.00 0.00 54.97 56.81 1x4z s GLU 103 Cb -0.10 -1.77 -0.03 0.00 -4.31 0.00 0.00 34.13 27.93 1x4z s GLU 103 CO 0.33 -2.31 1.61 -1.25 0.01 0.00 0.00 175.26 173.65 1x4z s PRO 104 N -4.39 3.81 0.91 0.39 0.04 -1.26 -3.91 135.00 130.58 1x4z s PRO 104 Ca 0.69 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 1x4z s PRO 104 Cb -0.25 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.31 1x4z s PRO 104 CO 0.53 -1.28 0.61 -1.13 0.04 0.00 0.00 177.00 175.78 1x4z n SER 105 N 8.39 -1.32 -4.67 6.66 3.41 -1.12 -4.87 113.62 120.10 1x4z n SER 105 Ca 0.19 0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 58.78 1x4z n SER 105 Cb 0.45 -1.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.13 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 -3.55 0.87 -2.05 7.33 0.00 -1.26 -4.69 120.51 117.16 1x4z n ALA 106 Ca 0.09 0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 1x4z n ALA 106 Cb 0.53 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 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 -2.13 2.79 0.93 0.00 0.04 -1.26 -4.55 135.00 130.83 1x4z s PRO 107 Ca 0.62 0.76 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 1x4z s PRO 107 Cb -0.53 -4.34 0.02 0.00 0.04 0.00 0.00 34.50 29.69 1x4z s PRO 107 CO 0.58 -2.53 0.34 -1.13 0.04 0.00 0.00 177.00 174.29 1x4z n SER 108 N 12.15 -2.26 -4.48 6.66 3.41 -0.98 -4.87 113.62 123.25 1x4z n SER 108 Ca 0.21 0.34 -0.37 0.00 -0.26 0.00 0.00 58.87 58.78 1x4z n SER 108 Cb 0.51 -1.18 0.05 0.00 -0.26 0.00 0.00 64.21 63.33 1x4z n SER 108 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4z n ARG 109 N -1.36 0.48 -2.23 4.33 5.12 -1.26 -4.38 116.66 117.35 1x4z n ARG 109 Ca 0.06 0.20 -0.41 0.00 -1.93 0.00 0.00 57.85 55.77 1x4z n ARG 109 Cb 0.53 -1.79 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 1x4z n ARG 109 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1x4z s PRO 110 N -2.37 4.42 -0.17 5.56 0.04 -1.26 -4.67 135.00 136.54 1x4z s PRO 110 Ca 0.68 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1x4z s PRO 110 Cb -0.41 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.00 1x4z s PRO 110 CO 0.55 -0.16 -0.12 -0.47 0.04 0.00 0.00 177.00 176.84 1x4z s TYR 111 N -0.41 2.24 -0.55 0.56 6.14 -0.59 -4.95 117.35 119.80 1x4z s TYR 111 Ca 0.53 -1.36 -0.20 0.00 0.64 0.00 0.00 57.07 56.67 1x4z s TYR 111 Cb -0.37 -1.59 0.07 0.00 0.42 0.00 0.00 41.96 40.49 1x4z s TYR 111 CO 0.42 -0.70 0.72 0.08 0.64 0.00 0.00 175.55 176.72 1x4z s VAL 112 N 1.46 4.74 -0.26 3.14 1.01 -1.26 -3.24 120.40 125.98 1x4z s VAL 112 Ca 0.02 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1x4z s VAL 112 Cb -0.14 -4.42 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1x4z s VAL 112 CO -0.09 -0.99 1.66 -0.69 0.00 0.00 0.00 175.10 174.99 1x4z s VAL 113 N 2.98 3.64 0.00 2.92 1.01 -1.26 -4.94 120.40 124.74 1x4z s VAL 113 Ca 0.17 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.89 1x4z s VAL 113 Cb -0.19 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1x4z s VAL 113 CO 0.11 -0.36 -0.12 -0.55 0.00 0.00 0.00 175.10 174.18 1x4z s SER 114 N 4.77 4.21 0.00 3.32 0.15 -1.26 -1.03 113.70 123.86 1x4z s SER 114 Ca 0.73 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1x4z s SER 114 Cb -0.23 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1x4z s SER 114 CO 0.31 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1x4z n GLY 115 N 1.75 -1.77 3.00 9.45 0.00 -1.26 -4.57 105.19 111.79 1x4z n GLY 115 Ca -0.16 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.31 1x4z n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4z n SER 116 N 0.00 0.85 -0.47 1.61 7.64 -1.26 -4.83 113.62 117.16 1x4z n SER 116 Ca 0.00 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1x4z n SER 116 Cb 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1x4z n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4z n GLY 117 N 4.74 3.72 3.77 0.23 0.00 -1.26 -5.14 105.19 111.25 1x4z n GLY 117 Ca 0.36 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.42 3.08 -0.16 1.61 0.04 -1.26 -5.01 135.00 132.87 1x4z s PRO 118 Ca 0.00 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 1x4z s PRO 118 Cb 0.00 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1x4z s PRO 118 CO 0.00 -1.05 -0.19 0.45 0.04 0.00 0.00 177.00 176.25 1x4z n SER 119 N -1.88 1.85 -3.45 6.66 2.88 -1.26 -5.02 113.62 113.42 1x4z n SER 119 Ca 0.11 0.53 0.01 0.00 -1.33 0.00 0.00 58.87 58.19 1x4z n SER 119 Cb 0.51 -0.85 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 1x4z n SER 119 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4z s SER 120 N -5.96 -0.88 0.00 -3.46 0.15 -1.26 -5.19 113.70 97.10 1x4z s SER 120 Ca -0.21 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1x4z s SER 120 Cb 0.03 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.29 1x4z s SER 120 CO 0.32 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.20