#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 -0.69 -0.29 1.61 0.15 -1.26 -5.15 113.70 108.07 1x4u s SER 2 Ca 0.00 0.75 -0.05 0.00 0.70 0.00 0.00 55.95 57.35 1x4u s SER 2 Cb 0.00 1.71 0.16 0.00 -1.71 0.00 0.00 66.02 66.18 1x4u s SER 2 CO 0.00 -0.13 0.59 -0.44 1.20 0.00 0.00 173.24 174.46 1x4u s SER 3 N 2.65 -1.11 0.18 5.45 0.01 -1.26 -5.17 113.70 114.45 1x4u s SER 3 Ca 0.00 1.09 -0.20 0.00 1.31 0.00 0.00 55.95 58.15 1x4u s SER 3 Cb -0.09 2.09 0.05 0.00 0.21 0.00 0.00 66.02 68.28 1x4u s SER 3 CO -0.17 -0.25 0.56 -0.83 0.41 0.00 0.00 173.24 172.97 1x4u s GLY 4 N 2.84 -0.33 0.49 3.44 0.00 -1.26 -5.16 107.32 107.33 1x4u s GLY 4 Ca 0.09 0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.68 1x4u s GLY 4 CO -0.19 -0.07 1.15 -0.45 0.00 0.00 0.00 173.10 173.54 1x4u s SER 5 N -2.82 6.02 -0.19 1.64 0.15 -1.26 -5.05 113.70 112.20 1x4u s SER 5 Ca 0.05 2.26 -0.05 0.00 0.70 0.00 0.00 55.95 58.91 1x4u s SER 5 Cb -0.01 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.79 1x4u s SER 5 CO -0.07 -1.02 0.36 -0.94 1.20 0.00 0.00 173.24 172.77 1x4u s SER 6 N -1.50 0.10 -0.30 5.45 1.04 -1.26 -5.14 113.70 112.10 1x4u s SER 6 Ca 0.67 0.67 -0.16 0.00 0.48 0.00 0.00 55.95 57.61 1x4u s SER 6 Cb -0.27 1.07 0.18 0.00 0.10 0.00 0.00 66.02 67.10 1x4u s SER 6 CO 0.32 -0.25 1.11 -0.83 0.98 0.00 0.00 173.24 174.57 1x4u s GLY 7 N 2.53 0.15 0.06 7.32 0.00 -1.26 -5.07 107.32 111.06 1x4u s GLY 7 Ca 0.02 3.39 -0.29 0.00 0.00 0.00 0.00 44.72 47.84 1x4u s GLY 7 CO -0.12 3.00 1.45 3.21 0.00 0.00 0.00 173.10 180.63 1x4u h ARG 8 N 6.49 -0.82 -2.62 2.90 3.08 -2.08 -3.44 114.38 117.90 1x4u h ARG 8 Ca -0.21 0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 1x4u h ARG 8 Cb 1.15 0.19 -0.27 0.00 0.08 0.00 0.00 29.97 31.11 1x4u h ARG 8 CO 0.14 -0.54 -0.34 1.52 -1.07 0.00 0.00 179.97 179.68 1x4u s TYR 9 N -5.28 -0.65 -0.72 3.04 -0.85 -1.26 -5.10 117.35 106.53 1x4u s TYR 9 Ca -0.14 1.34 -0.26 0.00 -0.52 0.00 0.00 57.07 57.49 1x4u s TYR 9 Cb 0.03 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 1x4u s TYR 9 CO 0.48 -0.39 1.89 -1.25 -1.52 0.00 0.00 175.55 174.77 1x4u s PRO 10 N 1.84 2.60 -0.05 -3.49 0.04 -1.26 -4.95 135.00 129.72 1x4u s PRO 10 Ca -0.06 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.96 1x4u s PRO 10 Cb -0.10 -4.63 -0.05 0.00 0.04 0.00 0.00 34.50 29.76 1x4u s PRO 10 CO -0.12 -2.97 1.52 0.99 0.04 0.00 0.00 177.00 176.46 1x4u s THR 11 N 9.45 3.71 0.18 1.26 2.01 -1.26 -5.01 115.64 125.99 1x4u s THR 11 Ca 0.68 0.94 0.09 0.00 0.31 0.00 0.00 61.69 63.71 1x4u s THR 11 Cb -0.10 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1x4u s THR 11 CO 0.13 -0.06 -0.18 0.21 -0.69 0.00 0.00 174.62 174.03 1x4u s ASN 12 N 2.67 2.76 0.15 3.53 3.04 -1.26 -5.11 114.94 120.72 1x4u s ASN 12 Ca 0.68 -0.91 -0.31 0.00 0.04 0.00 0.00 52.86 52.35 1x4u s ASN 12 Cb -0.31 -0.17 -0.10 0.00 -1.54 0.00 0.00 41.25 39.14 1x4u s ASN 12 CO 0.26 -0.05 1.56 0.20 -3.04 0.00 0.00 177.10 176.03 1x4u s ASN 13 N -2.87 6.62 0.88 -4.21 -0.87 -1.26 -5.00 114.94 108.23 1x4u s ASN 13 Ca 0.18 2.56 -0.12 0.00 -1.57 0.00 0.00 52.86 53.91 1x4u s ASN 13 Cb -0.05 -2.59 0.12 0.00 -0.02 0.00 0.00 41.25 38.71 1x4u s ASN 13 CO 0.07 -0.81 1.16 -0.36 -2.57 0.00 0.00 177.10 174.60 1x4u s PHE 14 N 1.34 2.61 0.00 2.20 0.08 -1.26 -4.84 117.98 118.11 1x4u s PHE 14 Ca 0.70 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.52 1x4u s PHE 14 Cb -0.42 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 1x4u s PHE 14 CO 0.31 -2.16 0.00 0.41 -0.10 0.00 0.00 175.22 173.68 1x4u n GLY 15 N -2.74 1.43 3.46 4.36 0.00 -1.26 -5.15 105.19 105.30 1x4u n GLY 15 Ca 0.08 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.50 0.47 1.61 0.02 -1.26 -4.23 114.94 114.05 1x4u s ASN 16 Ca 0.00 -1.69 -0.24 0.00 -1.02 0.00 0.00 52.86 49.92 1x4u s ASN 16 Cb 0.00 0.52 -0.07 0.00 0.02 0.00 0.00 41.25 41.72 1x4u s ASN 16 CO 0.00 -0.96 1.30 0.00 0.02 0.00 0.00 177.10 177.46 1x4u n THR 18 N -0.44 1.69 0.00 0.00 -1.04 -0.95 -2.45 114.28 111.08 1x4u n THR 18 Ca 0.07 -0.89 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1x4u n THR 18 Cb 0.45 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 0.51 0.00 0.29 3.41 0.00 -1.26 -4.87 105.19 103.27 1x4u n GLY 19 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 0.36 -1.25 -4.13 0.00 7.64 -1.03 -4.94 113.62 110.27 1x4u n SER 21 Ca 0.04 -0.99 -0.35 0.00 1.01 0.00 0.00 58.87 58.59 1x4u n SER 21 Cb 0.19 -3.23 -0.13 0.00 -1.01 0.00 0.00 64.21 60.04 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 -3.84 2.99 0.42 -0.43 0.00 -1.26 -4.77 121.76 114.87 1x4u s ALA 22 Ca 0.08 -2.21 -0.18 0.00 0.00 0.00 0.00 51.96 49.65 1x4u s ALA 22 Cb -0.03 -2.17 -0.14 0.00 0.00 0.00 0.00 23.12 20.78 1x4u s ALA 22 CO 0.87 -1.56 -0.02 2.41 0.00 0.00 0.00 175.76 177.46 1x4u n THR 23 N 4.57 0.30 -3.42 0.00 -1.04 -1.26 -3.71 114.28 109.72 1x4u n THR 23 Ca -0.06 -0.47 -0.31 0.00 -2.04 0.00 0.00 64.05 61.17 1x4u n THR 23 Cb 0.42 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.89 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 -1.72 3.45 0.32 -1.42 0.08 -1.26 -4.91 117.98 112.52 1x4u s PHE 24 Ca 0.54 0.75 -0.00 0.00 0.12 0.00 0.00 56.93 58.34 1x4u s PHE 24 Cb -0.53 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.75 1x4u s PHE 24 CO 0.60 0.26 0.43 0.45 -0.10 0.00 0.00 175.22 176.86 1x4u n SER 25 N -0.38 -1.18 -0.31 1.36 2.88 -0.12 -4.97 113.62 110.91 1x4u n SER 25 Ca -0.01 -2.80 0.06 0.00 -1.33 0.00 0.00 58.87 54.79 1x4u n SER 25 Cb 0.53 2.25 0.16 0.00 -0.75 0.00 0.00 64.21 66.39 1x4u n SER 25 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1x4u h VAL 26 N 1.95 0.13 0.27 2.46 2.07 -2.02 -1.79 116.25 119.32 1x4u h VAL 26 Ca -0.25 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1x4u h VAL 26 Cb 1.11 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1x4u h VAL 26 CO 0.34 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.73 1x4u h LEU 27 N 0.02 -0.31 -8.24 2.57 3.38 -2.01 -3.40 115.31 107.31 1x4u h LEU 27 Ca 0.46 -0.19 -0.58 0.00 0.09 0.00 0.00 57.88 57.66 1x4u h LEU 27 Cb 0.77 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.50 1x4u h LEU 27 CO -0.88 0.17 1.16 -0.75 0.09 0.00 0.00 178.44 178.23 1x4u s LYS 28 N -3.54 3.34 0.08 1.13 2.20 -0.67 -4.99 119.74 117.29 1x4u s LYS 28 Ca -0.11 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1x4u s LYS 28 Cb 0.01 -4.64 -0.05 0.00 -1.51 0.00 0.00 37.83 31.64 1x4u s LYS 28 CO 0.40 -2.12 0.99 -1.59 -0.36 0.00 0.00 175.35 172.66 1x4u s LYS 29 N 5.17 4.63 -0.57 4.03 -2.85 -1.24 -0.94 119.74 127.98 1x4u s LYS 29 Ca 0.38 1.48 -0.26 0.00 -1.00 0.00 0.00 55.97 56.56 1x4u s LYS 29 Cb -0.06 -3.39 -0.04 0.00 -2.06 0.00 0.00 37.83 32.28 1x4u s LYS 29 CO 0.05 0.10 2.08 0.50 0.10 0.00 0.00 175.35 178.17 1x4u s ARG 30 N 0.34 2.41 0.24 1.78 3.52 -1.26 -4.30 118.95 121.68 1x4u s ARG 30 Ca 0.49 0.91 -0.14 0.00 -0.13 0.00 0.00 55.73 56.86 1x4u s ARG 30 Cb -0.23 -4.47 -0.08 0.00 -1.56 0.00 0.00 34.95 28.60 1x4u s ARG 30 CO 0.30 -2.97 0.64 1.03 -0.81 0.00 0.00 175.30 173.49 1x4u s ARG 31 N 7.54 3.99 -0.16 5.12 0.52 -0.14 -4.90 118.95 130.91 1x4u s ARG 31 Ca 0.79 0.55 -0.04 0.00 -0.52 0.00 0.00 55.73 56.52 1x4u s ARG 31 Cb -0.14 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 1x4u s ARG 31 CO 0.22 0.32 -0.03 -1.54 0.02 0.00 0.00 175.30 174.29 1x4u s SER 32 N -2.05 4.83 1.03 0.23 1.04 -1.26 -0.74 113.70 116.78 1x4u s SER 32 Ca 0.46 -0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.65 1x4u s SER 32 Cb -0.13 -1.79 0.21 0.00 0.10 0.00 0.00 66.02 64.41 1x4u s SER 32 CO 0.19 0.16 1.08 0.00 0.98 0.00 0.00 173.24 175.66 1x4u n SER 34 N -4.53 1.53 0.00 0.00 7.64 -1.03 -4.00 113.62 113.23 1x4u n SER 34 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1x4u n SER 34 Cb 0.53 0.91 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 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 -2.48 0.00 -0.05 6.43 5.15 -1.26 -4.55 115.26 118.49 1x4u n ASN 35 Ca -0.21 0.22 -0.07 0.00 -0.60 0.00 0.00 54.58 53.92 1x4u n ASN 35 Cb 0.92 -0.33 0.12 0.00 -0.53 0.00 0.00 39.78 39.95 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 -0.22 0.89 3.85 0.00 0.00 -1.26 -5.04 105.19 103.42 1x4u n GLY 37 Ca -0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.94 4.54 0.21 1.61 0.01 -1.26 -4.75 114.94 112.37 1x4u s ASN 38 Ca 0.00 -1.26 -0.19 0.00 -0.71 0.00 0.00 52.86 50.70 1x4u s ASN 38 Cb 0.00 0.24 -0.08 0.00 0.41 0.00 0.00 41.25 41.82 1x4u s ASN 38 CO 0.00 -0.95 0.70 -0.94 -1.51 0.00 0.00 177.10 174.39 1x4u s SER 39 N -4.15 7.03 0.13 -1.22 1.04 -1.26 -0.61 113.70 114.66 1x4u s SER 39 Ca 0.31 1.37 -0.21 0.00 0.48 0.00 0.00 55.95 57.90 1x4u s SER 39 Cb -0.01 -2.40 0.06 0.00 0.10 0.00 0.00 66.02 63.77 1x4u s SER 39 CO 0.19 0.05 0.54 -0.36 0.98 0.00 0.00 173.24 174.64 1x4u s PHE 40 N -1.50 -0.45 0.94 5.02 0.08 0.08 -2.24 117.98 119.91 1x4u s PHE 40 Ca 0.42 0.25 -0.14 0.00 0.12 0.00 0.00 56.93 57.58 1x4u s PHE 40 Cb -0.17 0.46 0.20 0.00 -0.57 0.00 0.00 43.02 42.95 1x4u s PHE 40 CO 0.21 -0.79 1.28 0.00 -0.10 0.00 0.00 175.22 175.83 1x4u n SER 42 N -3.66 0.00 -0.08 0.00 3.41 -1.26 -1.47 113.62 110.56 1x4u n SER 42 Ca 0.16 -0.92 -0.08 0.00 -0.26 0.00 0.00 58.87 57.77 1x4u n SER 42 Cb 0.59 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.96 1.31 -0.03 4.33 0.00 -1.26 -4.35 116.66 115.69 1x4u n ARG 43 Ca 0.19 0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.92 1x4u n ARG 43 Cb 0.09 -1.41 -0.14 0.00 0.00 0.00 0.00 32.46 31.00 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4u n SER 46 N -0.46 2.52 -4.19 0.00 2.88 -1.25 -4.66 113.62 108.46 1x4u n SER 46 Ca 0.51 -3.73 -0.33 0.00 -1.33 0.00 0.00 58.87 53.99 1x4u n SER 46 Cb 0.62 -0.62 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1x4u s PHE 47 N -3.22 2.78 -0.08 0.66 0.40 -1.22 -5.03 117.98 112.27 1x4u s PHE 47 Ca 0.44 -1.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.25 1x4u s PHE 47 Cb 0.40 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 1x4u s PHE 47 CO -0.00 -0.67 0.39 0.15 0.70 0.00 0.00 175.22 175.80 1x4u s LYS 48 N 1.13 4.11 0.02 0.44 1.02 -1.26 -0.35 119.74 124.86 1x4u s LYS 48 Ca 0.01 0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.30 1x4u s LYS 48 Cb -0.14 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1x4u s LYS 48 CO -0.07 0.42 0.03 0.14 -0.92 0.00 0.00 175.35 174.95 1x4u s VAL 49 N -0.18 0.12 0.14 3.17 -7.23 0.84 -4.93 120.40 112.32 1x4u s VAL 49 Ca 0.22 -1.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.09 1x4u s VAL 49 Cb -0.15 -0.55 -0.08 0.00 0.56 0.00 0.00 36.38 36.16 1x4u s VAL 49 CO 0.10 -0.55 1.34 -2.16 -0.31 0.00 0.00 175.10 173.52 1x4u s PRO 50 N -1.93 4.36 -0.17 4.82 0.04 -1.26 -1.06 135.00 139.80 1x4u s PRO 50 Ca -0.11 2.03 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1x4u s PRO 50 Cb -0.06 -3.24 0.19 0.00 0.04 0.00 0.00 34.50 31.43 1x4u s PRO 50 CO -0.02 -0.35 1.55 0.36 0.04 0.00 0.00 177.00 178.57 1x4u n LYS 51 N 3.49 1.45 -0.04 4.56 2.85 -1.07 -3.79 118.16 125.61 1x4u n LYS 51 Ca 0.09 -1.00 -0.06 0.00 -1.05 0.00 0.00 58.31 56.30 1x4u n LYS 51 Cb 0.43 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.39 1x4u n LYS 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x4u n SER 52 N 0.23 2.69 0.09 -5.58 2.88 -1.26 -4.66 113.62 108.01 1x4u n SER 52 Ca 0.20 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1x4u n SER 52 Cb 0.76 -0.14 0.31 0.00 -0.75 0.00 0.00 64.21 64.40 1x4u n SER 52 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1x4u h SER 53 N -0.07 0.29 -1.99 -3.46 4.64 -1.92 -3.41 113.55 107.63 1x4u h SER 53 Ca -0.17 -0.08 -0.59 0.00 -0.47 0.00 0.00 61.79 60.49 1x4u h SER 53 Cb 1.22 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1x4u h SER 53 CO -0.05 0.51 1.48 0.23 -0.87 0.00 0.00 176.83 178.13 1x4u n MET 54 N -4.18 2.01 0.00 4.77 2.00 -1.26 -4.77 117.12 115.68 1x4u n MET 54 Ca -0.01 0.56 0.00 0.00 0.00 0.00 0.00 57.70 58.26 1x4u n MET 54 Cb 0.34 -3.21 0.00 0.00 0.00 0.00 0.00 33.22 30.35 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 5.71 1.83 3.80 3.03 0.00 -1.26 -4.52 105.19 113.78 1x4u n GLY 55 Ca 0.30 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.99 2.31 -0.04 4.61 0.00 -1.26 -5.01 121.76 121.38 1x4u s ALA 56 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1x4u s ALA 56 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1x4u s ALA 56 CO 0.00 -1.65 0.14 -0.08 0.00 0.00 0.00 175.76 174.17 1x4u s THR 57 N -3.11 0.03 0.74 0.00 -1.32 -1.26 -4.91 115.64 105.81 1x4u s THR 57 Ca 0.60 -0.23 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 1x4u s THR 57 Cb -0.15 -0.28 0.04 0.00 -1.51 0.00 0.00 72.50 70.60 1x4u s THR 57 CO 0.55 -0.13 1.11 0.00 -2.21 0.00 0.00 174.62 173.94 1x4u s ALA 58 N -0.39 2.72 -2.00 11.08 0.00 -1.26 -4.92 121.76 126.98 1x4u s ALA 58 Ca -0.05 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 51.66 1x4u s ALA 58 Cb -0.03 -3.03 0.65 0.00 0.00 0.00 0.00 23.12 20.71 1x4u s ALA 58 CO 0.01 -1.35 1.09 -0.35 0.00 0.00 0.00 175.76 175.15 1x4u n PRO 59 N -3.15 0.49 0.01 0.00 -0.04 -1.26 -3.45 135.00 127.60 1x4u n PRO 59 Ca 0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1x4u n PRO 59 Cb 0.58 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.85 0.05 -1.97 0.54 1.02 -1.26 -4.90 120.64 113.27 1x4u n GLU 60 Ca 0.08 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.99 1x4u n GLU 60 Cb 0.04 -0.58 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 1x4u n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x4u s ALA 61 N -2.06 1.50 0.01 0.62 0.00 -1.22 -4.35 121.76 116.26 1x4u s ALA 61 Ca -0.03 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1x4u s ALA 61 Cb 0.01 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.51 1x4u s ALA 61 CO 0.04 -5.31 0.00 1.04 0.00 0.00 0.00 175.76 171.53 1x4u n GLN 62 N 8.55 0.00 -1.26 0.00 1.13 -1.26 -4.32 117.38 120.22 1x4u n GLN 62 Ca 0.43 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 55.23 1x4u n GLN 62 Cb 0.46 -0.31 0.14 0.00 0.11 0.00 0.00 30.24 30.64 1x4u n GLN 62 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x4u n ARG 63 N -2.84 2.42 -4.03 -1.09 5.12 -1.26 -4.64 116.66 110.33 1x4u n ARG 63 Ca 0.00 -3.19 -0.34 0.00 -1.93 0.00 0.00 57.85 52.39 1x4u n ARG 63 Cb 0.29 -2.18 -0.06 0.00 -1.16 0.00 0.00 32.46 29.35 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1x4u s GLU 64 N -3.49 3.22 0.06 5.56 2.56 -1.26 -5.08 118.70 120.26 1x4u s GLU 64 Ca 0.58 -0.39 0.06 0.00 0.00 0.00 0.00 54.97 55.22 1x4u s GLU 64 Cb 0.48 -2.97 -0.04 0.00 2.00 0.00 0.00 34.13 33.61 1x4u s GLU 64 CO 0.05 0.67 -0.12 0.95 -0.56 0.00 0.00 175.26 176.26 1x4u s THR 65 N -1.20 3.24 0.09 -1.70 -4.23 -1.26 -2.58 115.64 108.00 1x4u s THR 65 Ca 0.23 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1x4u s THR 65 Cb -0.12 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1x4u s THR 65 CO 0.14 0.26 -0.00 0.68 -0.54 0.00 0.00 174.62 175.15 1x4u s VAL 66 N -1.06 0.24 -0.23 2.29 -7.23 -0.22 -4.91 120.40 109.28 1x4u s VAL 66 Ca 0.18 -1.87 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 1x4u s VAL 66 Cb -0.11 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1x4u s VAL 66 CO 0.09 -0.77 0.17 -0.36 -0.31 0.00 0.00 175.10 173.93 1x4u s PHE 67 N -3.93 3.34 0.43 2.82 0.08 -1.26 -0.11 117.98 119.35 1x4u s PHE 67 Ca 0.14 0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.51 1x4u s PHE 67 Cb 0.07 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1x4u s PHE 67 CO -0.05 0.11 0.06 0.14 -0.10 0.00 0.00 175.22 175.39 1x4u s VAL 68 N 0.91 1.07 0.07 -0.44 -7.23 0.53 -2.47 120.40 112.84 1x4u s VAL 68 Ca 0.09 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.18 1x4u s VAL 68 Cb -0.13 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1x4u s VAL 68 CO 0.03 0.00 0.35 0.00 -0.31 0.00 0.00 175.10 175.18 1x4u n ALA 70 N 0.79 -0.51 -0.38 0.00 0.00 0.11 0.11 120.51 120.62 1x4u n ALA 70 Ca -0.08 0.84 0.35 0.00 0.00 0.00 0.00 53.44 54.55 1x4u n ALA 70 Cb 0.52 -0.19 0.62 0.00 0.00 0.00 0.00 19.45 20.40 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 0.28 0.00 0.00 0.02 -1.95 0.99 113.55 112.89 1x4u h SER 71 Ca 0.19 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1x4u h SER 71 Cb 0.42 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1x4u h SER 71 CO -0.90 -0.36 -0.15 0.00 -1.14 0.00 0.00 176.83 174.28 1x4u n ASN 73 N -3.89 0.29 -0.15 0.00 5.15 0.41 0.22 115.26 117.28 1x4u n ASN 73 Ca -0.02 1.39 -0.09 0.00 -0.60 0.00 0.00 54.58 55.26 1x4u n ASN 73 Cb 0.08 -0.68 -0.00 0.00 -0.53 0.00 0.00 39.78 38.64 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 0.70 -0.05 1.20 7.50 -0.99 -1.73 115.11 121.74 1x4u h GLN 74 Ca 0.73 -0.16 -0.02 0.00 0.50 0.00 0.00 58.65 59.69 1x4u h GLN 74 Cb 1.97 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 29.41 1x4u h GLN 74 CO -0.63 0.69 -0.06 1.15 -1.50 0.00 0.00 178.83 178.48 1x4u h THR 75 N 0.58 1.39 0.18 -0.54 2.02 0.26 -2.69 112.91 114.11 1x4u h THR 75 Ca 0.14 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1x4u h THR 75 Cb 0.29 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1x4u h THR 75 CO -0.00 0.34 -0.44 -0.07 0.37 0.00 0.00 175.52 175.72 1x4u h LEU 76 N -0.32 -1.27 -3.58 2.58 3.38 -0.87 -1.90 115.31 113.33 1x4u h LEU 76 Ca 0.01 0.13 -0.35 0.00 0.09 0.00 0.00 57.88 57.76 1x4u h LEU 76 Cb 0.58 0.47 -0.15 0.00 0.09 0.00 0.00 40.66 41.65 1x4u h LEU 76 CO 0.01 -0.52 0.43 -1.20 0.09 0.00 0.00 178.44 177.25 1x4u n SER 77 N -5.48 6.51 -0.07 -0.43 7.64 -0.65 -4.36 113.62 116.78 1x4u n SER 77 Ca -0.08 -3.10 -0.05 0.00 1.01 0.00 0.00 58.87 56.65 1x4u n SER 77 Cb 0.39 -1.07 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 1x4u n SER 77 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1x4u n LYS 78 N 0.36 0.42 -4.19 1.43 4.81 -0.71 -4.93 118.16 115.35 1x4u n LYS 78 Ca 0.33 0.44 -0.36 0.00 -0.87 0.00 0.00 58.31 57.84 1x4u n LYS 78 Cb 0.58 -1.54 -0.07 0.00 0.02 0.00 0.00 35.03 34.02 1x4u n LYS 78 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1x4u n SER 79 N -4.35 -1.66 0.00 3.14 7.64 -1.26 -4.88 113.62 112.25 1x4u n SER 79 Ca -0.08 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1x4u n SER 79 Cb 0.28 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1x4u n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4u n GLY 80 N -0.97 0.88 3.77 0.23 0.00 -1.26 -4.95 105.19 102.88 1x4u n GLY 80 Ca 0.10 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1x4u n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4u s PRO 81 N 2.04 2.40 -1.46 1.61 0.04 -1.26 -3.70 135.00 134.68 1x4u s PRO 81 Ca 0.00 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1x4u s PRO 81 Cb 0.00 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1x4u s PRO 81 CO 0.00 -1.54 1.04 0.45 0.04 0.00 0.00 177.00 176.99 1x4u n SER 82 N -3.22 -5.06 -4.20 6.66 2.88 -1.26 -4.94 113.62 104.48 1x4u n SER 82 Ca 0.09 -0.70 -0.41 0.00 -1.33 0.00 0.00 58.87 56.52 1x4u n SER 82 Cb 0.53 -4.31 -0.07 0.00 -0.75 0.00 0.00 64.21 59.61 1x4u n SER 82 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4u s SER 83 N -3.40 5.86 0.00 -3.46 1.04 -1.24 -5.14 113.70 107.35 1x4u s SER 83 Ca 0.59 -2.54 0.00 0.00 0.48 0.00 0.00 55.95 54.47 1x4u s SER 83 Cb -0.28 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1x4u s SER 83 CO 0.79 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 175.10