#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u n SER 2 N 0.00 -1.07 -4.11 1.61 2.88 -1.26 -4.87 113.62 106.80 1x4u n SER 2 Ca 0.00 -1.11 -0.34 0.00 -1.33 0.00 0.00 58.87 56.09 1x4u n SER 2 Cb 0.00 -1.41 -0.14 0.00 -0.75 0.00 0.00 64.21 61.91 1x4u n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4u s SER 3 N -3.27 4.80 0.00 -3.46 0.01 -1.26 -4.75 113.70 105.78 1x4u s SER 3 Ca 0.58 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1x4u s SER 3 Cb -0.34 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1x4u s SER 3 CO 0.90 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.86 1x4u n GLY 4 N 4.50 0.32 3.41 3.44 0.00 -1.26 -5.09 105.19 110.51 1x4u n GLY 4 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1x4u n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4u s SER 5 N -0.15 7.04 0.40 1.61 0.01 -1.26 -5.00 113.70 116.35 1x4u s SER 5 Ca 0.00 -3.00 0.08 0.00 1.31 0.00 0.00 55.95 54.34 1x4u s SER 5 Cb 0.00 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1x4u s SER 5 CO 0.00 -0.63 0.21 -0.55 0.41 0.00 0.00 173.24 172.68 1x4u s SER 6 N 2.40 4.59 -0.15 2.44 0.15 -1.26 -5.14 113.70 116.73 1x4u s SER 6 Ca 0.34 -0.96 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 1x4u s SER 6 Cb -0.06 -0.54 0.06 0.00 -1.71 0.00 0.00 66.02 63.78 1x4u s SER 6 CO -0.05 -0.52 0.34 -0.83 1.20 0.00 0.00 173.24 173.37 1x4u s GLY 7 N -3.94 -0.24 0.37 9.45 0.00 -1.26 -5.16 107.32 106.54 1x4u s GLY 7 Ca 0.42 1.25 0.07 0.00 0.00 0.00 0.00 44.72 46.46 1x4u s GLY 7 CO 0.24 1.83 0.36 1.09 0.00 0.00 0.00 173.10 176.62 1x4u s ARG 8 N 1.91 2.72 0.03 2.90 1.04 -1.26 -5.14 118.95 121.15 1x4u s ARG 8 Ca -0.05 -1.34 0.05 0.00 -1.04 0.00 0.00 55.73 53.35 1x4u s ARG 8 Cb -0.11 -2.51 -0.02 0.00 -2.04 0.00 0.00 34.95 30.28 1x4u s ARG 8 CO -0.11 -0.03 -0.13 0.71 -0.04 0.00 0.00 175.30 175.70 1x4u s TYR 9 N -2.35 1.17 1.06 5.89 2.02 -1.26 -5.15 117.35 118.73 1x4u s TYR 9 Ca 0.45 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.68 1x4u s TYR 9 Cb -0.06 -0.70 0.22 0.00 -0.40 0.00 0.00 41.96 41.02 1x4u s TYR 9 CO 0.28 0.02 1.10 -1.25 -1.57 0.00 0.00 175.55 174.13 1x4u s PRO 10 N -1.01 -0.06 -0.08 -1.71 0.04 -1.26 -5.07 135.00 125.85 1x4u s PRO 10 Ca 0.02 0.35 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 1x4u s PRO 10 Cb -0.07 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.80 1x4u s PRO 10 CO 0.01 -3.02 -0.04 0.99 0.04 0.00 0.00 177.00 174.98 1x4u s THR 11 N -2.98 0.64 -0.31 1.26 2.01 -1.26 -5.02 115.64 109.98 1x4u s THR 11 Ca 0.67 -0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.68 1x4u s THR 11 Cb -0.17 -0.72 0.46 0.00 0.01 0.00 0.00 72.50 72.09 1x4u s THR 11 CO 0.57 0.29 1.16 -0.46 -0.69 0.00 0.00 174.62 175.50 1x4u n ASN 12 N 4.84 4.45 -3.69 3.53 6.94 -1.26 -4.91 115.26 125.16 1x4u n ASN 12 Ca -0.12 -3.53 -0.28 0.00 -0.02 0.00 0.00 54.58 50.62 1x4u n ASN 12 Cb 0.50 -0.38 -0.12 0.00 -2.36 0.00 0.00 39.78 37.42 1x4u n ASN 12 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1x4u s ASN 13 N -3.60 3.41 0.01 0.53 3.84 -1.26 -4.93 114.94 112.94 1x4u s ASN 13 Ca 0.47 -3.20 -0.04 0.00 0.21 0.00 0.00 52.86 50.30 1x4u s ASN 13 Cb 0.40 -1.08 -0.01 0.00 -0.55 0.00 0.00 41.25 40.01 1x4u s ASN 13 CO -0.01 -0.17 -0.08 0.49 -2.79 0.00 0.00 177.10 174.54 1x4u n PHE 14 N 2.77 0.00 -2.83 0.43 3.72 -1.26 -5.05 117.46 115.24 1x4u n PHE 14 Ca 0.19 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.47 1x4u n PHE 14 Cb 0.39 -0.12 0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1x4u n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4u n GLY 15 N 2.86 0.10 3.14 1.37 0.00 -1.26 -5.03 105.19 106.37 1x4u n GLY 15 Ca -0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1x4u n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 16 N -2.98 0.71 0.95 1.61 0.02 -1.26 -3.36 114.94 110.64 1x4u s ASN 16 Ca 0.22 -1.07 -0.13 0.00 -1.02 0.00 0.00 52.86 50.87 1x4u s ASN 16 Cb -0.10 0.18 0.05 0.00 0.02 0.00 0.00 41.25 41.40 1x4u s ASN 16 CO 0.27 -0.59 0.44 0.00 0.02 0.00 0.00 177.10 177.25 1x4u n THR 18 N -3.67 0.82 0.00 0.00 -1.04 -1.18 -3.21 114.28 105.99 1x4u n THR 18 Ca 0.07 -0.91 0.00 0.00 -2.04 0.00 0.00 64.05 61.17 1x4u n THR 18 Cb 0.54 0.67 0.00 0.00 -1.82 0.00 0.00 70.33 69.71 1x4u n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x4u n GLY 19 N 1.25 0.00 0.19 3.41 0.00 -1.26 -4.84 105.19 103.94 1x4u n GLY 19 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1x4u n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u n SER 21 N -0.53 -0.87 -4.31 0.00 7.64 -1.20 -4.86 113.62 109.49 1x4u n SER 21 Ca 0.05 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.63 1x4u n SER 21 Cb 0.57 -1.09 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4u s ALA 22 N -3.97 3.29 0.32 -0.43 0.00 -1.26 -4.68 121.76 115.03 1x4u s ALA 22 Ca 0.15 -1.99 -0.27 0.00 0.00 0.00 0.00 51.96 49.85 1x4u s ALA 22 Cb -0.09 -2.64 -0.13 0.00 0.00 0.00 0.00 23.12 20.26 1x4u s ALA 22 CO 0.68 -1.56 0.96 2.41 0.00 0.00 0.00 175.76 178.26 1x4u n THR 23 N 4.96 2.05 -3.16 0.00 -1.04 -1.26 -2.73 114.28 113.10 1x4u n THR 23 Ca -0.11 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.98 1x4u n THR 23 Cb 0.44 -0.97 -0.07 0.00 -1.82 0.00 0.00 70.33 67.91 1x4u n THR 23 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1x4u s PHE 24 N -1.13 3.16 0.51 -1.42 0.08 -1.21 -4.93 117.98 113.04 1x4u s PHE 24 Ca 0.60 0.27 0.08 0.00 0.12 0.00 0.00 56.93 58.00 1x4u s PHE 24 Cb -0.67 -3.07 0.04 0.00 -0.57 0.00 0.00 43.02 38.75 1x4u s PHE 24 CO 0.59 -0.60 0.59 -1.12 -0.10 0.00 0.00 175.22 174.57 1x4u s SER 25 N 1.79 5.08 0.58 1.36 0.01 -1.22 -4.92 113.70 116.38 1x4u s SER 25 Ca 0.22 -0.84 0.18 0.00 1.31 0.00 0.00 55.95 56.82 1x4u s SER 25 Cb -0.15 -0.01 0.97 0.00 0.21 0.00 0.00 66.02 67.05 1x4u s SER 25 CO 0.14 -1.05 1.51 -0.37 0.41 0.00 0.00 173.24 173.88 1x4u h VAL 26 N 0.55 0.00 0.00 3.43 -1.51 -2.04 -1.30 116.25 115.38 1x4u h VAL 26 Ca -0.35 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.00 1x4u h VAL 26 Cb 1.29 0.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.83 1x4u h VAL 26 CO 0.48 0.00 -0.98 0.18 -1.23 0.00 0.00 177.57 176.02 1x4u n LEU 27 N -2.58 1.85 -4.57 4.19 4.32 -1.26 -4.80 117.00 114.16 1x4u n LEU 27 Ca -0.01 0.51 -0.41 0.00 -0.02 0.00 0.00 56.01 56.08 1x4u n LEU 27 Cb 0.54 -0.88 -0.03 0.00 -1.62 0.00 0.00 43.42 41.43 1x4u n LEU 27 CO 0.08 -0.12 1.34 -0.75 -1.22 0.00 0.00 177.39 176.72 1x4u s LYS 28 N -2.38 3.15 -0.19 3.23 2.20 -0.49 -4.96 119.74 120.29 1x4u s LYS 28 Ca -0.23 0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 1x4u s LYS 28 Cb 0.05 -4.19 -0.01 0.00 -1.51 0.00 0.00 37.83 32.16 1x4u s LYS 28 CO 0.39 -2.13 1.31 0.15 -0.36 0.00 0.00 175.35 174.71 1x4u s LYS 29 N 5.87 4.13 -0.31 4.03 1.02 -1.26 -3.43 119.74 129.79 1x4u s LYS 29 Ca 0.56 1.59 -0.32 0.00 0.02 0.00 0.00 55.97 57.82 1x4u s LYS 29 Cb -0.12 -3.82 -0.09 0.00 -0.52 0.00 0.00 37.83 33.29 1x4u s LYS 29 CO 0.24 -0.85 2.22 -2.13 -0.92 0.00 0.00 175.35 173.91 1x4u n ARG 30 N 6.87 1.44 -3.50 1.68 0.63 -1.26 -4.58 116.66 117.93 1x4u n ARG 30 Ca 0.15 0.38 -0.35 0.00 -0.92 0.00 0.00 57.85 57.10 1x4u n ARG 30 Cb 0.45 -2.83 -0.06 0.00 0.45 0.00 0.00 32.46 30.48 1x4u n ARG 30 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x4u s ARG 31 N 6.41 3.84 -0.18 -0.14 0.52 0.46 -4.92 118.95 124.93 1x4u s ARG 31 Ca 1.06 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 56.52 1x4u s ARG 31 Cb -0.61 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 1x4u s ARG 31 CO 0.42 0.54 -0.07 -1.54 0.02 0.00 0.00 175.30 174.67 1x4u s SER 32 N -1.71 4.30 1.05 0.23 1.04 -1.26 0.38 113.70 117.72 1x4u s SER 32 Ca 0.34 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.30 1x4u s SER 32 Cb -0.14 -1.71 0.15 0.00 0.10 0.00 0.00 66.02 64.42 1x4u s SER 32 CO 0.18 0.06 0.65 0.00 0.98 0.00 0.00 173.24 175.11 1x4u n SER 34 N -3.09 1.33 0.00 0.00 7.64 -1.08 -3.99 113.62 114.43 1x4u n SER 34 Ca 0.05 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1x4u n SER 34 Cb 0.55 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x4u n ASN 35 N -2.62 0.00 -0.22 6.43 5.15 -1.26 -4.54 115.26 118.19 1x4u n ASN 35 Ca -0.26 0.22 -0.09 0.00 -0.60 0.00 0.00 54.58 53.86 1x4u n ASN 35 Cb 0.99 -0.30 0.04 0.00 -0.53 0.00 0.00 39.78 39.97 1x4u n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4u n GLY 37 N -0.48 0.91 3.88 0.00 0.00 -1.26 -5.04 105.19 103.20 1x4u n GLY 37 Ca 0.03 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1x4u n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 38 N -2.75 4.73 0.21 1.61 0.01 -1.26 -4.74 114.94 112.75 1x4u s ASN 38 Ca 0.00 -1.07 -0.22 0.00 -0.71 0.00 0.00 52.86 50.86 1x4u s ASN 38 Cb 0.00 0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 1x4u s ASN 38 CO 0.00 -0.91 0.75 -0.94 -1.51 0.00 0.00 177.10 174.50 1x4u s SER 39 N -4.20 7.19 0.18 -1.22 1.04 -1.26 -0.28 113.70 115.14 1x4u s SER 39 Ca 0.40 1.52 -0.19 0.00 0.48 0.00 0.00 55.95 58.16 1x4u s SER 39 Cb -0.02 -2.46 0.04 0.00 0.10 0.00 0.00 66.02 63.69 1x4u s SER 39 CO 0.24 0.09 0.53 -0.36 0.98 0.00 0.00 173.24 174.72 1x4u s PHE 40 N -1.39 -0.24 0.68 5.02 0.08 0.16 -3.12 117.98 119.16 1x4u s PHE 40 Ca 0.41 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 1x4u s PHE 40 Cb -0.19 0.43 0.15 0.00 -0.57 0.00 0.00 43.02 42.83 1x4u s PHE 40 CO 0.23 -0.88 0.92 0.00 -0.10 0.00 0.00 175.22 175.39 1x4u n SER 42 N -3.33 0.13 -0.05 0.00 3.41 -1.26 -1.99 113.62 110.52 1x4u n SER 42 Ca 0.13 -1.62 -0.05 0.00 -0.26 0.00 0.00 58.87 57.07 1x4u n SER 42 Cb 0.46 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 1x4u n SER 42 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1x4u n ARG 43 N -0.62 2.17 -0.00 4.33 0.63 -1.26 -4.43 116.66 117.48 1x4u n ARG 43 Ca 0.10 0.01 -0.16 0.00 -0.92 0.00 0.00 57.85 56.87 1x4u n ARG 43 Cb 0.06 -1.24 -0.14 0.00 0.45 0.00 0.00 32.46 31.59 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x4u n SER 46 N -0.51 5.17 -4.13 0.00 3.41 -1.25 -4.61 113.62 111.70 1x4u n SER 46 Ca 0.45 -3.76 -0.30 0.00 -0.26 0.00 0.00 58.87 55.00 1x4u n SER 46 Cb 1.03 -0.71 -0.17 0.00 -0.26 0.00 0.00 64.21 64.10 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1x4u s PHE 47 N -3.56 2.20 -0.11 7.33 0.40 -1.23 -5.04 117.98 117.97 1x4u s PHE 47 Ca 0.55 -0.96 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1x4u s PHE 47 Cb 0.46 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 1x4u s PHE 47 CO 0.02 -0.44 0.24 0.15 0.70 0.00 0.00 175.22 175.89 1x4u s LYS 48 N 0.65 3.84 0.02 0.44 1.02 -1.26 -0.85 119.74 123.60 1x4u s LYS 48 Ca -0.13 0.05 -0.14 0.00 0.02 0.00 0.00 55.97 55.77 1x4u s LYS 48 Cb -0.16 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1x4u s LYS 48 CO 0.03 0.57 0.30 0.14 -0.92 0.00 0.00 175.35 175.47 1x4u s VAL 49 N -0.51 0.07 0.07 3.17 -7.23 0.31 -4.94 120.40 111.34 1x4u s VAL 49 Ca 0.17 -0.60 -0.31 0.00 -1.81 0.00 0.00 61.98 59.43 1x4u s VAL 49 Cb -0.13 -0.77 -0.07 0.00 0.56 0.00 0.00 36.38 35.96 1x4u s VAL 49 CO 0.06 -0.33 1.40 -2.16 -0.31 0.00 0.00 175.10 173.76 1x4u s PRO 50 N -1.95 4.31 0.09 4.82 0.04 -1.26 -0.90 135.00 140.15 1x4u s PRO 50 Ca -0.09 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.04 1x4u s PRO 50 Cb -0.03 -3.39 -0.22 0.00 0.04 0.00 0.00 34.50 30.89 1x4u s PRO 50 CO 0.00 -0.50 1.17 1.57 0.04 0.00 0.00 177.00 179.29 1x4u h LYS 51 N 7.27 0.04 -0.76 4.56 2.10 -1.90 -3.29 116.57 124.59 1x4u h LYS 51 Ca -0.41 -0.08 0.10 0.00 -2.00 0.00 0.00 60.65 58.26 1x4u h LYS 51 Cb 1.20 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 32.50 1x4u h LYS 51 CO 0.88 0.98 0.50 0.66 -2.00 0.00 0.00 179.45 180.47 1x4u h SER 52 N 0.01 0.62 -0.75 7.07 4.64 -1.82 -1.29 113.55 122.03 1x4u h SER 52 Ca -0.07 0.01 -0.47 0.00 -0.47 0.00 0.00 61.79 60.80 1x4u h SER 52 Cb 1.83 -0.11 -0.19 0.00 -0.31 0.00 0.00 62.40 63.61 1x4u h SER 52 CO 0.13 0.37 0.59 -1.54 -0.87 0.00 0.00 176.83 175.51 1x4u n SER 53 N -4.50 6.91 -3.64 4.97 3.41 -1.24 -4.85 113.62 114.69 1x4u n SER 53 Ca 0.13 -3.34 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 1x4u n SER 53 Cb 0.33 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1x4u n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4u s MET 54 N -2.54 0.69 1.65 4.33 0.00 -0.49 -5.02 119.30 117.92 1x4u s MET 54 Ca 0.45 -0.41 0.00 0.00 0.00 0.00 0.00 55.69 55.73 1x4u s MET 54 Cb 0.35 0.21 0.00 0.00 0.00 0.00 0.00 34.83 35.39 1x4u s MET 54 CO -0.04 -0.32 0.00 0.41 0.00 0.00 0.00 175.02 175.07 1x4u n GLY 55 N -0.62 0.75 3.65 3.16 0.00 -1.26 -4.39 105.19 106.47 1x4u n GLY 55 Ca -0.04 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1x4u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u s ALA 56 N -1.54 3.51 -0.50 4.61 0.00 -1.26 -4.95 121.76 121.63 1x4u s ALA 56 Ca 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 1x4u s ALA 56 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1x4u s ALA 56 CO 0.00 -1.48 1.87 0.95 0.00 0.00 0.00 175.76 177.10 1x4u s THR 57 N 4.02 3.38 0.08 0.00 -4.23 -1.26 -4.97 115.64 112.66 1x4u s THR 57 Ca 0.58 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 61.45 1x4u s THR 57 Cb -0.21 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 1x4u s THR 57 CO 0.20 -0.67 -0.05 0.00 -0.54 0.00 0.00 174.62 173.56 1x4u s ALA 58 N 8.46 3.12 -1.98 3.99 0.00 -1.26 -5.00 121.76 129.09 1x4u s ALA 58 Ca 0.74 -1.15 0.16 0.00 0.00 0.00 0.00 51.96 51.70 1x4u s ALA 58 Cb -0.16 -1.07 0.93 0.00 0.00 0.00 0.00 23.12 22.82 1x4u s ALA 58 CO 0.26 0.66 1.35 -0.35 0.00 0.00 0.00 175.76 177.68 1x4u n PRO 59 N 0.78 0.48 -0.12 0.00 -0.04 -1.26 -3.04 135.00 131.80 1x4u n PRO 59 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 1x4u n PRO 59 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1x4u n PRO 59 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x4u n GLU 60 N -1.01 0.58 -2.68 0.54 -0.58 -1.26 -4.85 120.64 111.37 1x4u n GLU 60 Ca 0.12 0.42 -0.43 0.00 -0.42 0.00 0.00 57.16 56.84 1x4u n GLU 60 Cb 0.06 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.28 1x4u n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4u s ALA 61 N -2.44 3.31 -0.10 0.62 0.00 -1.17 -5.00 121.76 116.98 1x4u s ALA 61 Ca -0.34 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1x4u s ALA 61 Cb 0.10 -3.73 0.05 0.00 0.00 0.00 0.00 23.12 19.55 1x4u s ALA 61 CO 0.54 -1.88 0.21 -0.65 0.00 0.00 0.00 175.76 173.97 1x4u s GLN 62 N 3.94 0.10 -1.25 0.00 -0.21 -1.26 -4.65 119.66 116.33 1x4u s GLN 62 Ca 0.44 0.63 -0.00 0.00 0.02 0.00 0.00 55.36 56.44 1x4u s GLN 62 Cb -0.10 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.76 1x4u s GLN 62 CO 0.24 -0.28 0.88 0.54 -2.12 0.00 0.00 175.29 174.55 1x4u n ARG 63 N 5.17 -5.92 -4.03 2.91 1.74 -1.26 -5.01 116.66 110.26 1x4u n ARG 63 Ca -0.08 0.75 -0.22 0.00 -0.77 0.00 0.00 57.85 57.52 1x4u n ARG 63 Cb 0.50 -5.58 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1x4u s GLU 64 N -5.64 2.52 -0.12 5.56 2.56 -1.26 -5.06 118.70 117.25 1x4u s GLU 64 Ca 0.02 -1.42 0.02 0.00 0.00 0.00 0.00 54.97 53.59 1x4u s GLU 64 Cb -0.01 -2.30 0.01 0.00 2.00 0.00 0.00 34.13 33.84 1x4u s GLU 64 CO 0.76 0.15 -0.19 0.95 -0.56 0.00 0.00 175.26 176.37 1x4u s THR 65 N -2.36 1.82 0.26 -1.70 -4.23 -1.26 -3.13 115.64 105.04 1x4u s THR 65 Ca 0.38 -0.84 0.09 0.00 -1.18 0.00 0.00 61.69 60.14 1x4u s THR 65 Cb -0.04 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 1x4u s THR 65 CO 0.24 0.50 -0.14 0.68 -0.54 0.00 0.00 174.62 175.36 1x4u s VAL 66 N 0.82 2.03 -0.34 2.29 -7.23 -0.08 -4.92 120.40 112.97 1x4u s VAL 66 Ca -0.08 -2.27 -0.10 0.00 -1.81 0.00 0.00 61.98 57.72 1x4u s VAL 66 Cb -0.16 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.54 1x4u s VAL 66 CO -0.00 -0.44 0.17 -0.36 -0.31 0.00 0.00 175.10 174.16 1x4u s PHE 67 N -2.78 3.21 0.49 2.82 0.08 -1.26 -0.53 117.98 120.02 1x4u s PHE 67 Ca 0.27 -0.86 0.04 0.00 0.12 0.00 0.00 56.93 56.50 1x4u s PHE 67 Cb -0.01 -2.38 0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1x4u s PHE 67 CO 0.11 -0.58 0.32 1.33 -0.10 0.00 0.00 175.22 176.31 1x4u n VAL 68 N 4.97 0.00 -3.73 -0.44 0.24 -0.03 -2.62 118.33 116.71 1x4u n VAL 68 Ca -0.13 -2.00 -0.35 0.00 -2.04 0.00 0.00 64.34 59.82 1x4u n VAL 68 Cb 0.47 -0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.78 1x4u n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4u n ALA 70 N 1.25 -0.05 -0.28 0.00 0.00 0.12 0.16 120.51 121.72 1x4u n ALA 70 Ca -0.12 0.68 0.06 0.00 0.00 0.00 0.00 53.44 54.06 1x4u n ALA 70 Cb 0.53 -0.32 0.17 0.00 0.00 0.00 0.00 19.45 19.82 1x4u n ALA 70 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4u h SER 71 N 0.00 -0.48 0.11 0.00 0.02 -1.94 0.35 113.55 111.62 1x4u h SER 71 Ca 0.25 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1x4u h SER 71 Cb 0.41 0.41 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1x4u h SER 71 CO -0.67 -0.23 -0.05 0.00 -1.14 0.00 0.00 176.83 174.73 1x4u n ASN 73 N -4.85 0.30 -0.11 0.00 5.15 0.41 0.18 115.26 116.33 1x4u n ASN 73 Ca -0.04 1.50 -0.11 0.00 -0.60 0.00 0.00 54.58 55.33 1x4u n ASN 73 Cb 0.15 -0.72 -0.03 0.00 -0.53 0.00 0.00 39.78 38.65 1x4u n ASN 73 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1x4u h GLN 74 N 0.00 0.59 -0.04 1.20 4.20 -1.03 0.20 115.11 120.22 1x4u h GLN 74 Ca 0.76 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 59.27 1x4u h GLN 74 Cb 2.00 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.72 1x4u h GLN 74 CO -0.70 0.71 -0.03 1.15 -0.67 0.00 0.00 178.83 179.29 1x4u h THR 75 N 0.39 1.35 0.28 -0.54 2.02 0.19 -3.13 112.91 113.48 1x4u h THR 75 Ca 0.09 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1x4u h THR 75 Cb 0.44 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1x4u h THR 75 CO 0.02 0.30 -0.14 -0.07 0.37 0.00 0.00 175.52 176.00 1x4u h LEU 76 N -0.32 -0.32 -4.03 2.58 3.38 -0.53 -3.05 115.31 113.02 1x4u h LEU 76 Ca 0.01 -0.09 -0.27 0.00 0.09 0.00 0.00 57.88 57.62 1x4u h LEU 76 Cb 0.50 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1x4u h LEU 76 CO 0.01 -0.10 -0.10 -0.24 0.09 0.00 0.00 178.44 178.10 1x4u n SER 77 N -5.19 5.65 -4.36 -0.43 2.88 0.70 -4.79 113.62 108.09 1x4u n SER 77 Ca -0.10 -2.70 -0.46 0.00 -1.33 0.00 0.00 58.87 54.28 1x4u n SER 77 Cb 0.22 -1.32 -0.01 0.00 -0.75 0.00 0.00 64.21 62.34 1x4u n SER 77 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1x4u s LYS 78 N 0.01 3.80 -0.26 -1.46 2.47 -1.15 -4.84 119.74 118.30 1x4u s LYS 78 Ca 0.57 -2.58 -0.10 0.00 -1.56 0.00 0.00 55.97 52.29 1x4u s LYS 78 Cb 0.30 -4.57 -0.05 0.00 -1.46 0.00 0.00 37.83 32.06 1x4u s LYS 78 CO -0.06 -1.37 0.15 0.45 0.16 0.00 0.00 175.35 174.68 1x4u s SER 79 N 2.17 5.88 -0.14 1.43 0.15 -1.26 -5.07 113.70 116.85 1x4u s SER 79 Ca 0.25 0.00 -0.22 0.00 0.70 0.00 0.00 55.95 56.68 1x4u s SER 79 Cb -0.09 -2.07 0.05 0.00 -1.71 0.00 0.00 66.02 62.20 1x4u s SER 79 CO -0.08 0.00 0.55 -0.83 1.20 0.00 0.00 173.24 174.08 1x4u s GLY 80 N 1.43 -0.42 0.27 9.45 0.00 -1.26 -5.15 107.32 111.64 1x4u s GLY 80 Ca 0.07 1.32 -0.29 0.00 0.00 0.00 0.00 44.72 45.81 1x4u s GLY 80 CO 0.07 1.06 1.26 2.56 0.00 0.00 0.00 173.10 178.05 1x4u s PRO 81 N -0.33 4.44 -0.16 2.90 0.04 -1.26 -4.96 135.00 135.67 1x4u s PRO 81 Ca -0.05 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 1x4u s PRO 81 Cb -0.03 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 1x4u s PRO 81 CO 0.04 -0.12 -0.17 0.43 0.04 0.00 0.00 177.00 177.22 1x4u n SER 82 N 1.63 2.22 -3.43 6.66 7.64 -1.26 -5.09 113.62 121.99 1x4u n SER 82 Ca 0.02 0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 1x4u n SER 82 Cb 0.43 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1x4u n SER 82 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4u s SER 83 N -5.87 -0.55 0.00 6.43 1.04 -1.26 -5.38 113.70 108.10 1x4u s SER 83 Ca -0.22 0.00 0.26 0.00 0.48 0.00 0.00 55.95 56.47 1x4u s SER 83 Cb 0.07 0.58 1.54 0.00 0.10 0.00 0.00 66.02 68.31 1x4u s SER 83 CO 0.34 -0.94 1.89 0.61 0.98 0.00 0.00 173.24 176.13