#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u s SER 2 N 0.00 4.40 -0.18 1.61 0.01 -1.26 -5.10 113.70 113.17 1x4u s SER 2 Ca 0.00 -0.24 -0.08 0.00 1.31 0.00 0.00 55.95 56.94 1x4u s SER 2 Cb 0.00 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 1x4u s SER 2 CO 0.00 0.15 0.08 -0.44 0.41 0.00 0.00 173.24 173.44 1x4u s SER 3 N 0.47 5.77 -1.21 2.44 0.01 -1.26 -5.03 113.70 114.90 1x4u s SER 3 Ca -0.06 0.13 -0.09 0.00 1.31 0.00 0.00 55.95 57.23 1x4u s SER 3 Cb -0.15 -1.99 0.20 0.00 0.21 0.00 0.00 66.02 64.30 1x4u s SER 3 CO 0.04 0.19 1.65 0.61 0.41 0.00 0.00 173.24 176.13 1x4u n GLY 4 N 3.46 4.49 2.31 3.44 0.00 -1.26 -4.78 105.19 112.85 1x4u n GLY 4 Ca -0.17 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.30 1x4u n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4u n SER 5 N 3.67 7.54 -4.77 1.61 7.64 -1.26 -4.99 113.62 123.06 1x4u n SER 5 Ca 0.35 -3.70 -0.30 0.00 1.01 0.00 0.00 58.87 56.23 1x4u n SER 5 Cb 0.37 -1.00 0.10 0.00 -1.01 0.00 0.00 64.21 62.68 1x4u n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4u s SER 6 N -1.52 4.24 0.00 6.43 0.01 -1.26 -5.03 113.70 116.57 1x4u s SER 6 Ca 0.60 1.50 0.00 0.00 1.31 0.00 0.00 55.95 59.36 1x4u s SER 6 Cb 0.47 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1x4u s SER 6 CO -0.03 -2.15 0.00 0.61 0.41 0.00 0.00 173.24 172.07 1x4u n GLY 7 N -1.58 1.28 2.80 3.44 0.00 -1.26 -5.17 105.19 104.69 1x4u n GLY 7 Ca 0.07 0.27 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 1x4u n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4u s ARG 8 N -0.10 0.01 -0.01 1.61 3.52 -1.26 -5.15 118.95 117.57 1x4u s ARG 8 Ca 0.00 0.13 -0.22 0.00 -0.13 0.00 0.00 55.73 55.51 1x4u s ARG 8 Cb 0.00 -0.22 0.05 0.00 -1.56 0.00 0.00 34.95 33.22 1x4u s ARG 8 CO 0.00 -0.13 0.49 0.71 -0.81 0.00 0.00 175.30 175.57 1x4u s TYR 9 N 0.82 -0.41 0.14 5.12 2.02 -1.26 -5.15 117.35 118.64 1x4u s TYR 9 Ca -0.07 0.60 -0.31 0.00 -0.37 0.00 0.00 57.07 56.92 1x4u s TYR 9 Cb -0.10 0.27 -0.08 0.00 -0.40 0.00 0.00 41.96 41.65 1x4u s TYR 9 CO -0.02 -0.54 1.34 -1.25 -1.57 0.00 0.00 175.55 173.51 1x4u s PRO 10 N -1.66 4.36 0.23 -1.71 0.04 -1.26 -4.94 135.00 130.06 1x4u s PRO 10 Ca -0.10 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 1x4u s PRO 10 Cb -0.02 -3.23 -0.16 0.00 0.04 0.00 0.00 34.50 31.13 1x4u s PRO 10 CO 0.04 -0.35 0.67 -2.37 0.04 0.00 0.00 177.00 175.03 1x4u n THR 11 N 3.41 1.99 0.00 1.26 5.66 -1.26 -4.89 114.28 120.45 1x4u n THR 11 Ca 0.09 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1x4u n THR 11 Cb 0.43 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1x4u n THR 11 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x4u n ASN 12 N 1.75 1.14 -0.23 1.09 0.23 -1.26 -4.84 115.26 113.13 1x4u n ASN 12 Ca 0.15 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.24 1x4u n ASN 12 Cb 0.27 0.01 0.16 0.00 -2.08 0.00 0.00 39.78 38.14 1x4u n ASN 12 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1x4u h ASN 13 N 0.00 0.12 -1.82 0.53 -1.24 -1.95 -3.43 115.58 107.79 1x4u h ASN 13 Ca 0.00 0.12 -0.37 0.00 0.71 0.00 0.00 56.30 56.76 1x4u h ASN 13 Cb 0.28 0.14 0.20 0.00 0.73 0.00 0.00 38.32 39.66 1x4u h ASN 13 CO 0.00 0.04 -1.19 2.22 -1.29 0.00 0.00 177.43 177.21 1x4u n PHE 14 N -5.08 -1.64 0.00 0.67 -1.74 -1.26 -3.08 117.46 105.32 1x4u n PHE 14 Ca 0.12 0.25 0.00 0.00 -0.56 0.00 0.00 57.45 57.26 1x4u n PHE 14 Cb 0.39 -1.46 0.00 0.00 1.52 0.00 0.00 39.48 39.94 1x4u n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1x4u n GLY 15 N 2.55 2.06 3.38 4.97 0.00 -1.26 -4.92 105.19 111.96 1x4u n GLY 15 Ca 0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 0.08 2.53 0.90 1.61 0.02 -1.18 -4.13 114.94 114.78 1x4u s ASN 16 Ca 0.00 -1.13 -0.17 0.00 -1.02 0.00 0.00 52.86 50.54 1x4u s ASN 16 Cb 0.00 -0.13 -0.15 0.00 0.02 0.00 0.00 41.25 41.00 1x4u s ASN 16 CO 0.00 -0.31 -0.68 0.00 0.02 0.00 0.00 177.10 176.13 1x4u n THR 18 N -2.30 0.00 0.02 0.00 -1.04 -1.15 -3.09 114.28 106.72 1x4u n THR 18 Ca -0.00 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.05 61.74 1x4u n THR 18 Cb 0.54 0.69 -0.00 0.00 -1.82 0.00 0.00 70.33 69.73 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 1.27 -0.10 1.64 3.41 0.00 -1.26 -4.79 105.19 105.36 1x4u n GLY 19 Ca 0.16 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 0.43 -0.84 -4.55 0.00 3.41 -1.18 -4.72 113.62 106.17 1x4u n SER 21 Ca 0.26 0.37 -0.38 0.00 -0.26 0.00 0.00 58.87 58.87 1x4u n SER 21 Cb 1.10 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4u s ALA 22 N -1.67 1.96 0.48 7.33 0.00 -1.26 -4.34 121.76 124.26 1x4u s ALA 22 Ca 0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 1x4u s ALA 22 Cb -0.01 -4.32 -0.09 0.00 0.00 0.00 0.00 23.12 18.70 1x4u s ALA 22 CO 0.02 -4.11 0.85 2.41 0.00 0.00 0.00 175.76 174.93 1x4u n THR 23 N 7.53 2.57 -3.72 0.00 -1.04 -1.26 -3.04 114.28 115.32 1x4u n THR 23 Ca 0.27 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.40 1x4u n THR 23 Cb 0.53 -0.98 -0.12 0.00 -1.82 0.00 0.00 70.33 67.94 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 -1.43 3.26 0.03 -1.42 0.08 -1.26 -4.75 117.98 112.49 1x4u s PHE 24 Ca 0.67 -1.35 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1x4u s PHE 24 Cb -0.52 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.59 1x4u s PHE 24 CO 0.54 -0.72 0.00 0.43 -0.10 0.00 0.00 175.22 175.37 1x4u n SER 25 N 4.85 0.08 0.02 1.36 7.64 -1.24 -5.00 113.62 121.33 1x4u n SER 25 Ca -0.12 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1x4u n SER 25 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1x4u n SER 25 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1x4u n VAL 26 N -2.65 0.05 -0.65 0.44 3.14 -1.26 -4.84 118.33 112.55 1x4u n VAL 26 Ca 0.00 0.02 -0.13 0.00 -2.96 0.00 0.00 64.34 61.27 1x4u n VAL 26 Cb 0.00 -0.76 0.04 0.00 -1.06 0.00 0.00 33.84 32.05 1x4u n VAL 26 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1x4u n LEU 27 N -2.77 5.95 -3.49 6.55 4.77 -1.26 -4.74 117.00 122.01 1x4u n LEU 27 Ca 0.00 -3.00 0.01 0.00 -0.03 0.00 0.00 56.01 52.99 1x4u n LEU 27 Cb 0.11 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.16 1x4u n LEU 27 CO 0.00 1.10 0.78 -0.75 -1.33 0.00 0.00 177.39 177.19 1x4u s LYS 28 N -1.48 0.21 -0.15 3.23 2.47 -1.26 -5.08 119.74 117.67 1x4u s LYS 28 Ca 0.25 0.44 -0.03 0.00 -1.56 0.00 0.00 55.97 55.06 1x4u s LYS 28 Cb 0.20 0.16 -0.03 0.00 -1.46 0.00 0.00 37.83 36.70 1x4u s LYS 28 CO 0.00 -0.06 -0.04 -1.59 0.16 0.00 0.00 175.35 173.83 1x4u s LYS 29 N 1.72 3.66 -0.51 4.03 -2.85 -1.26 -3.64 119.74 120.88 1x4u s LYS 29 Ca -0.05 -0.53 -0.28 0.00 -1.00 0.00 0.00 55.97 54.11 1x4u s LYS 29 Cb -0.03 -2.90 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 1x4u s LYS 29 CO -0.15 0.24 1.55 0.50 0.10 0.00 0.00 175.35 177.59 1x4u s ARG 30 N 0.36 3.24 0.52 1.78 3.52 -1.26 -4.24 118.95 122.86 1x4u s ARG 30 Ca -0.05 0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 56.23 1x4u s ARG 30 Cb -0.14 -4.16 0.11 0.00 -1.56 0.00 0.00 34.95 29.20 1x4u s ARG 30 CO 0.03 -1.99 0.71 0.54 -0.81 0.00 0.00 175.30 173.78 1x4u n ARG 31 N 8.61 -0.23 -3.75 5.12 1.74 0.14 -4.87 116.66 123.42 1x4u n ARG 31 Ca 0.16 -1.54 -0.22 0.00 -0.77 0.00 0.00 57.85 55.48 1x4u n ARG 31 Cb 0.49 -0.59 -0.18 0.00 -1.02 0.00 0.00 32.46 31.16 1x4u n ARG 31 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1x4u s SER 32 N -3.75 1.53 1.04 0.55 0.01 -1.26 -2.55 113.70 109.26 1x4u s SER 32 Ca 0.44 -0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.50 1x4u s SER 32 Cb -0.02 -0.38 0.14 0.00 0.21 0.00 0.00 66.02 65.97 1x4u s SER 32 CO 0.30 -0.21 0.64 0.00 0.41 0.00 0.00 173.24 174.38 1x4u n SER 34 N -3.00 0.78 0.00 0.00 7.64 -0.96 -3.88 113.62 114.20 1x4u n SER 34 Ca 0.06 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1x4u n SER 34 Cb 0.55 0.71 0.00 0.00 -1.01 0.00 0.00 64.21 64.46 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 -2.77 0.00 -0.05 6.43 5.15 -1.26 -4.53 115.26 118.23 1x4u n ASN 35 Ca -0.32 0.16 -0.04 0.00 -0.60 0.00 0.00 54.58 53.78 1x4u n ASN 35 Cb 1.07 -0.23 0.18 0.00 -0.53 0.00 0.00 39.78 40.27 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 -0.52 0.75 3.92 0.00 0.00 -1.25 -5.02 105.19 103.08 1x4u n GLY 37 Ca 0.01 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.00 4.84 0.10 1.61 0.01 -1.26 -4.70 114.94 112.55 1x4u s ASN 38 Ca 0.03 -1.03 -0.25 0.00 -0.71 0.00 0.00 52.86 50.90 1x4u s ASN 38 Cb -0.01 0.13 -0.07 0.00 0.41 0.00 0.00 41.25 41.71 1x4u s ASN 38 CO 0.03 -1.03 0.77 -0.44 -1.51 0.00 0.00 177.10 174.92 1x4u s SER 39 N -4.32 7.30 0.21 -1.22 0.01 -1.26 -0.74 113.70 113.68 1x4u s SER 39 Ca 0.44 1.54 -0.12 0.00 1.31 0.00 0.00 55.95 59.12 1x4u s SER 39 Cb -0.03 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x4u s SER 39 CO 0.27 0.11 0.42 -0.36 0.41 0.00 0.00 173.24 174.09 1x4u s PHE 40 N -0.60 0.30 0.42 2.43 0.08 -1.06 -2.95 117.98 116.60 1x4u s PHE 40 Ca 0.37 -0.66 -0.03 0.00 0.12 0.00 0.00 56.93 56.73 1x4u s PHE 40 Cb -0.22 0.13 0.09 0.00 -0.57 0.00 0.00 43.02 42.45 1x4u s PHE 40 CO 0.25 -0.88 0.57 0.00 -0.10 0.00 0.00 175.22 175.05 1x4u n SER 42 N -3.13 1.46 0.00 0.00 2.88 -1.26 -2.55 113.62 111.02 1x4u n SER 42 Ca 0.08 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1x4u n SER 42 Cb 0.30 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1x4u n SER 42 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1x4u n ARG 43 N 0.13 3.33 -0.02 -1.46 0.63 -1.26 -4.67 116.66 113.34 1x4u n ARG 43 Ca 0.07 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.82 1x4u n ARG 43 Cb 0.27 -1.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.04 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 -0.00 4.59 -4.14 0.00 7.64 -1.22 -4.50 113.62 115.98 1x4u n SER 46 Ca 0.45 -3.60 -0.33 0.00 1.01 0.00 0.00 58.87 56.39 1x4u n SER 46 Cb 0.57 -0.38 -0.15 0.00 -1.01 0.00 0.00 64.21 63.24 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1x4u s PHE 47 N -3.59 2.93 -0.31 1.43 0.08 -1.18 -4.98 117.98 112.36 1x4u s PHE 47 Ca 0.48 -1.69 -0.27 0.00 0.12 0.00 0.00 56.93 55.57 1x4u s PHE 47 Cb 0.40 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.90 1x4u s PHE 47 CO -0.01 -0.79 0.99 0.15 -0.10 0.00 0.00 175.22 175.47 1x4u s LYS 48 N 1.28 4.04 0.04 0.44 1.02 -1.25 -1.19 119.74 124.10 1x4u s LYS 48 Ca 0.02 0.94 0.01 0.00 0.02 0.00 0.00 55.97 56.96 1x4u s LYS 48 Cb -0.15 -3.73 -0.02 0.00 -0.52 0.00 0.00 37.83 33.40 1x4u s LYS 48 CO -0.09 -0.84 -0.06 0.14 -0.92 0.00 0.00 175.35 173.58 1x4u s VAL 49 N 3.45 0.39 0.12 3.17 -7.23 0.37 -4.89 120.40 115.78 1x4u s VAL 49 Ca 0.42 -1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 59.20 1x4u s VAL 49 Cb -0.13 -0.56 -0.08 0.00 0.56 0.00 0.00 36.38 36.17 1x4u s VAL 49 CO 0.14 -0.46 1.35 -2.16 -0.31 0.00 0.00 175.10 173.66 1x4u s PRO 50 N -1.71 4.34 0.01 4.82 0.04 -1.26 -0.30 135.00 140.94 1x4u s PRO 50 Ca -0.11 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 1x4u s PRO 50 Cb -0.09 -3.25 -0.26 0.00 0.04 0.00 0.00 34.50 30.94 1x4u s PRO 50 CO -0.01 -0.38 0.89 1.57 0.04 0.00 0.00 177.00 179.11 1x4u h LYS 51 N 6.55 0.19 -0.92 4.56 2.10 -1.92 -3.36 116.57 123.76 1x4u h LYS 51 Ca -0.42 -0.33 0.17 0.00 -2.00 0.00 0.00 60.65 58.07 1x4u h LYS 51 Cb 1.21 0.12 -0.17 0.00 -0.90 0.00 0.00 32.23 32.50 1x4u h LYS 51 CO 0.84 1.03 -0.27 -1.13 -2.00 0.00 0.00 179.45 177.93 1x4u n SER 52 N -3.40 -0.41 0.10 7.07 3.41 -1.26 -0.00 113.62 119.13 1x4u n SER 52 Ca -0.14 1.59 -0.13 0.00 -0.26 0.00 0.00 58.87 59.93 1x4u n SER 52 Cb 1.03 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1x4u n SER 52 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x4u h SER 53 N 0.00 -0.84 -3.33 4.04 0.02 -1.91 -3.19 113.55 108.34 1x4u h SER 53 Ca 0.40 0.10 -0.57 0.00 -0.84 0.00 0.00 61.79 60.88 1x4u h SER 53 Cb 0.63 0.33 0.13 0.00 0.14 0.00 0.00 62.40 63.63 1x4u h SER 53 CO -0.94 -0.38 0.32 0.23 -1.14 0.00 0.00 176.83 174.93 1x4u n MET 54 N -5.40 1.58 0.00 3.45 2.00 1.00 -4.49 117.12 115.26 1x4u n MET 54 Ca -0.06 0.57 0.00 0.00 0.00 0.00 0.00 57.70 58.21 1x4u n MET 54 Cb 0.31 -2.21 0.00 0.00 0.00 0.00 0.00 33.22 31.32 1x4u n MET 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x4u n GLY 55 N 1.01 3.21 2.82 3.03 0.00 -1.26 -4.49 105.19 109.50 1x4u n GLY 55 Ca 0.09 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.56 1.24 -0.04 4.61 0.00 -1.26 -5.10 121.76 119.65 1x4u s ALA 56 Ca 0.00 -0.74 -0.39 0.00 0.00 0.00 0.00 51.96 50.83 1x4u s ALA 56 Cb 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 23.12 21.80 1x4u s ALA 56 CO 0.00 -0.94 1.07 0.25 0.00 0.00 0.00 175.76 176.14 1x4u n THR 57 N 4.96 0.00 -4.40 0.00 -2.24 -1.21 -4.95 114.28 106.44 1x4u n THR 57 Ca -0.10 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1x4u n THR 57 Cb 0.47 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 1x4u n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4u s ALA 58 N 0.22 2.33 -2.00 6.98 0.00 -1.26 -5.01 121.76 123.02 1x4u s ALA 58 Ca 0.89 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 51.28 1x4u s ALA 58 Cb -1.24 -0.19 0.81 0.00 0.00 0.00 0.00 23.12 22.50 1x4u s ALA 58 CO 0.57 0.21 1.23 -0.35 0.00 0.00 0.00 175.76 177.43 1x4u n PRO 59 N -0.27 0.49 -0.11 0.00 -0.04 -1.26 -2.82 135.00 130.99 1x4u n PRO 59 Ca -0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.15 1x4u n PRO 59 Cb 0.59 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.94 0.64 -3.97 0.54 -0.58 -1.26 -4.90 120.64 110.17 1x4u n GLU 60 Ca 0.10 0.25 -0.34 0.00 -0.42 0.00 0.00 57.16 56.75 1x4u n GLU 60 Cb 0.05 -1.56 -0.15 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.51 2.67 0.00 0.62 0.00 -1.13 -4.94 121.76 116.47 1x4u s ALA 61 Ca -0.34 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1x4u s ALA 61 Cb 0.10 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1x4u s ALA 61 CO 0.59 -0.62 0.00 1.04 0.00 0.00 0.00 175.76 176.77 1x4u n GLN 62 N 4.70 0.00 -0.68 0.00 1.13 -1.26 -4.03 117.38 117.24 1x4u n GLN 62 Ca -0.18 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 54.93 1x4u n GLN 62 Cb 0.49 -0.74 0.09 0.00 0.11 0.00 0.00 30.24 30.19 1x4u n GLN 62 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1x4u n ARG 63 N -2.73 0.71 -0.91 -1.09 -4.01 -1.26 -4.74 116.66 102.62 1x4u n ARG 63 Ca 0.00 -2.22 -0.29 0.00 -1.04 0.00 0.00 57.85 54.30 1x4u n ARG 63 Cb 0.49 -0.89 0.18 0.00 -3.04 0.00 0.00 32.46 29.20 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1x4u s GLU 64 N -1.51 0.42 -0.02 2.89 2.56 -1.26 -5.00 118.70 116.78 1x4u s GLU 64 Ca 0.26 0.90 0.03 0.00 0.00 0.00 0.00 54.97 56.16 1x4u s GLU 64 Cb 0.26 -1.71 0.00 0.00 2.00 0.00 0.00 34.13 34.69 1x4u s GLU 64 CO -0.05 -2.84 -0.10 0.95 -0.56 0.00 0.00 175.26 172.66 1x4u s THR 65 N -2.74 0.85 0.24 -1.70 -4.23 -1.26 -3.82 115.64 102.97 1x4u s THR 65 Ca 0.66 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1x4u s THR 65 Cb -0.21 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 72.83 1x4u s THR 65 CO 0.60 0.26 0.02 0.68 -0.54 0.00 0.00 174.62 175.64 1x4u s VAL 66 N 0.11 0.90 -0.25 2.29 -7.23 0.58 -4.90 120.40 111.91 1x4u s VAL 66 Ca -0.02 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 1x4u s VAL 66 Cb -0.08 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1x4u s VAL 66 CO 0.00 -0.25 0.14 -0.36 -0.31 0.00 0.00 175.10 174.33 1x4u s PHE 67 N -3.51 3.24 0.38 2.82 0.08 -1.26 -0.48 117.98 119.25 1x4u s PHE 67 Ca 0.30 0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.48 1x4u s PHE 67 Cb 0.06 -2.28 -0.07 0.00 -0.57 0.00 0.00 43.02 40.17 1x4u s PHE 67 CO 0.10 -0.06 0.04 0.14 -0.10 0.00 0.00 175.22 175.33 1x4u s VAL 68 N 1.30 1.53 0.15 -0.44 -7.23 -0.34 -2.27 120.40 113.10 1x4u s VAL 68 Ca 0.07 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1x4u s VAL 68 Cb -0.14 -2.83 -0.07 0.00 0.56 0.00 0.00 36.38 33.89 1x4u s VAL 68 CO 0.06 0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.47 1x4u n ALA 70 N 1.09 0.07 -0.32 0.00 0.00 0.17 0.13 120.51 121.65 1x4u n ALA 70 Ca -0.06 0.97 0.17 0.00 0.00 0.00 0.00 53.44 54.51 1x4u n ALA 70 Cb 0.51 -0.52 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1x4u n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4u h SER 71 N 0.00 0.35 0.05 0.00 0.87 -1.93 -0.78 113.55 112.10 1x4u h SER 71 Ca 0.38 0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1x4u h SER 71 Cb 0.61 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1x4u h SER 71 CO -0.93 -0.06 -0.02 0.00 -0.53 0.00 0.00 176.83 175.29 1x4u n ASN 73 N -4.70 0.23 -0.07 0.00 5.15 0.13 0.19 115.26 116.19 1x4u n ASN 73 Ca -0.01 1.36 -0.11 0.00 -0.60 0.00 0.00 54.58 55.22 1x4u n ASN 73 Cb 0.02 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.58 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 0.37 0.06 1.20 7.50 -1.27 -1.82 115.11 121.15 1x4u h GLN 74 Ca 0.67 -0.11 -0.00 0.00 0.50 0.00 0.00 58.65 59.70 1x4u h GLN 74 Cb 1.73 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 29.22 1x4u h GLN 74 CO -0.65 0.55 -0.03 1.15 -1.50 0.00 0.00 178.83 178.35 1x4u h THR 75 N 0.14 1.20 0.02 -0.54 2.02 0.21 -3.14 112.91 112.82 1x4u h THR 75 Ca 0.06 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.36 1x4u h THR 75 Cb 0.38 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1x4u h THR 75 CO 0.01 0.23 -0.42 -0.07 0.37 0.00 0.00 175.52 175.64 1x4u h LEU 76 N -0.49 -1.27 -0.95 2.58 3.38 -0.48 -1.49 115.31 116.61 1x4u h LEU 76 Ca -0.01 0.15 0.29 0.00 0.09 0.00 0.00 57.88 58.40 1x4u h LEU 76 Cb 0.43 0.49 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 1x4u h LEU 76 CO 0.01 -0.46 0.28 0.77 0.09 0.00 0.00 178.44 179.13 1x4u h SER 77 N -0.59 0.01 -3.86 -0.43 4.64 -1.40 -3.41 113.55 108.52 1x4u h SER 77 Ca 0.04 0.23 -0.44 0.00 -0.47 0.00 0.00 61.79 61.15 1x4u h SER 77 Cb 0.66 0.31 0.16 0.00 -0.31 0.00 0.00 62.40 63.22 1x4u h SER 77 CO -0.30 -0.26 0.24 -0.54 -0.87 0.00 0.00 176.83 175.10 1x4u s LYS 78 N -5.84 0.01 0.20 4.77 1.02 -0.56 -4.93 119.74 114.41 1x4u s LYS 78 Ca -0.11 0.05 -0.17 0.00 0.02 0.00 0.00 55.97 55.76 1x4u s LYS 78 Cb 0.29 -1.73 0.19 0.00 -0.52 0.00 0.00 37.83 36.06 1x4u s LYS 78 CO 0.78 -2.92 1.60 0.77 -0.92 0.00 0.00 175.35 174.66 1x4u h SER 79 N -2.01 -0.93 -5.13 2.83 0.02 -1.78 -3.47 113.55 103.07 1x4u h SER 79 Ca -0.48 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1x4u h SER 79 Cb 1.30 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1x4u h SER 79 CO 0.46 -0.27 -0.69 0.61 -1.14 0.00 0.00 176.83 175.81 1x4u n GLY 80 N -1.45 -2.58 0.25 -3.77 0.00 -1.26 -4.90 105.19 91.49 1x4u n GLY 80 Ca 0.06 0.88 0.13 0.00 0.00 0.00 0.00 46.02 47.10 1x4u n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4u h PRO 81 N 2.36 0.00 -6.30 1.61 0.13 -1.91 -3.44 132.00 124.45 1x4u h PRO 81 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1x4u h PRO 81 Cb 0.55 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.57 1x4u h PRO 81 CO 0.15 0.12 -0.65 0.45 -0.23 0.00 0.00 178.00 177.84 1x4u s SER 82 N -5.97 5.16 0.28 1.44 0.15 -1.26 -4.99 113.70 108.50 1x4u s SER 82 Ca 0.00 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.60 1x4u s SER 82 Cb 0.10 -1.28 0.81 0.00 -1.71 0.00 0.00 66.02 63.95 1x4u s SER 82 CO 0.59 0.18 1.30 -1.54 1.20 0.00 0.00 173.24 174.96 1x4u n SER 83 N 0.55 0.05 0.00 5.45 3.41 -1.26 -5.08 113.62 116.74 1x4u n SER 83 Ca -0.10 1.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1x4u n SER 83 Cb 0.52 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1x4u n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49