#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 5.17 -0.31 1.61 1.04 -1.26 -5.10 113.70 114.86 1x4u s SER 2 Ca 0.00 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 1x4u s SER 2 Cb 0.00 -1.33 0.10 0.00 0.10 0.00 0.00 66.02 64.89 1x4u s SER 2 CO 0.00 0.24 0.11 -0.44 0.98 0.00 0.00 173.24 174.13 1x4u s SER 3 N -1.83 3.91 -0.23 7.02 0.01 -1.26 -5.11 113.70 116.21 1x4u s SER 3 Ca 0.22 -1.56 -0.26 0.00 1.31 0.00 0.00 55.95 55.66 1x4u s SER 3 Cb -0.12 -0.74 0.08 0.00 0.21 0.00 0.00 66.02 65.45 1x4u s SER 3 CO 0.14 -0.42 0.75 -0.83 0.41 0.00 0.00 173.24 173.28 1x4u s GLY 4 N 1.73 -0.50 0.10 3.44 0.00 -1.26 -5.18 107.32 105.65 1x4u s GLY 4 Ca 0.10 1.97 0.03 0.00 0.00 0.00 0.00 44.72 46.81 1x4u s GLY 4 CO -0.28 1.61 -0.08 -0.45 0.00 0.00 0.00 173.10 173.90 1x4u s SER 5 N 0.06 1.28 0.01 1.64 0.15 -1.26 -5.17 113.70 110.42 1x4u s SER 5 Ca -0.02 -0.91 -0.01 0.00 0.70 0.00 0.00 55.95 55.72 1x4u s SER 5 Cb -0.04 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1x4u s SER 5 CO 0.02 -0.37 -0.01 -0.55 1.20 0.00 0.00 173.24 173.54 1x4u s SER 6 N -2.74 0.18 0.00 5.45 0.15 -1.26 -5.12 113.70 110.36 1x4u s SER 6 Ca 0.08 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1x4u s SER 6 Cb 0.01 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1x4u s SER 6 CO -0.02 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1x4u n GLY 7 N 1.82 1.64 3.06 9.45 0.00 -1.26 -5.18 105.19 114.72 1x4u n GLY 7 Ca -0.22 0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1x4u n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4u s ARG 8 N -0.21 0.59 -0.43 1.61 1.81 -1.26 -5.12 118.95 115.94 1x4u s ARG 8 Ca 0.00 -0.67 -0.07 0.00 -1.72 0.00 0.00 55.73 53.27 1x4u s ARG 8 Cb 0.00 -0.45 0.10 0.00 -0.45 0.00 0.00 34.95 34.15 1x4u s ARG 8 CO 0.00 0.10 0.27 0.71 -0.68 0.00 0.00 175.30 175.70 1x4u s TYR 9 N -1.06 3.42 -2.00 -0.53 1.51 -1.26 -4.93 117.35 112.50 1x4u s TYR 9 Ca -0.05 -1.86 0.05 0.00 -1.01 0.00 0.00 57.07 54.19 1x4u s TYR 9 Cb -0.08 -3.17 0.31 0.00 -0.11 0.00 0.00 41.96 38.90 1x4u s TYR 9 CO 0.01 -0.93 0.77 -0.35 -1.11 0.00 0.00 175.55 173.94 1x4u n PRO 10 N 4.83 0.49 -0.89 -1.71 -0.04 -1.26 -4.89 135.00 131.53 1x4u n PRO 10 Ca -0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 1x4u n PRO 10 Cb 0.42 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 1x4u n PRO 10 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1x4u n THR 11 N -0.66 0.00 0.00 0.52 5.66 -1.26 -4.82 114.28 113.72 1x4u n THR 11 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1x4u n THR 11 Cb 0.02 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.64 1x4u n THR 11 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1x4u n ASN 12 N 1.58 0.85 -3.65 1.09 5.15 -1.26 -5.12 115.26 113.90 1x4u n ASN 12 Ca 0.14 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.09 1x4u n ASN 12 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1x4u n ASN 12 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1x4u s ASN 13 N -4.11 -0.21 -0.10 1.20 2.47 -1.26 -5.16 114.94 107.77 1x4u s ASN 13 Ca 0.00 0.38 0.03 0.00 0.42 0.00 0.00 52.86 53.69 1x4u s ASN 13 Cb 0.00 0.65 -0.01 0.00 -1.45 0.00 0.00 41.25 40.44 1x4u s ASN 13 CO 0.00 -0.06 -0.18 -0.36 -3.72 0.00 0.00 177.10 172.78 1x4u s PHE 14 N 0.50 2.67 -0.19 0.43 0.40 -1.26 -5.01 117.98 115.52 1x4u s PHE 14 Ca 0.01 -0.67 0.24 0.00 -0.60 0.00 0.00 56.93 55.90 1x4u s PHE 14 Cb -0.04 -1.74 0.48 0.00 0.51 0.00 0.00 43.02 42.24 1x4u s PHE 14 CO -0.12 -0.20 1.13 0.41 0.70 0.00 0.00 175.22 177.14 1x4u n GLY 15 N 3.23 1.56 3.15 4.36 0.00 -1.26 -5.10 105.19 111.13 1x4u n GLY 15 Ca -0.18 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.25 0.54 0.65 1.61 0.02 -1.26 -4.11 114.94 109.14 1x4u s ASN 16 Ca 0.29 -1.14 -0.17 0.00 -1.02 0.00 0.00 52.86 50.81 1x4u s ASN 16 Cb 0.34 0.23 -0.04 0.00 0.02 0.00 0.00 41.25 41.81 1x4u s ASN 16 CO -0.08 -0.66 0.82 0.00 0.02 0.00 0.00 177.10 177.21 1x4u n THR 18 N -2.07 2.31 0.04 0.00 -1.04 -1.06 -3.01 114.28 109.44 1x4u n THR 18 Ca 0.13 -1.17 0.00 0.00 -2.04 0.00 0.00 64.05 60.96 1x4u n THR 18 Cb 0.48 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.54 -0.08 0.56 3.41 0.00 -1.26 -4.87 105.19 103.49 1x4u n GLY 19 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 0.71 -1.18 -4.22 0.00 7.64 -1.16 -4.93 113.62 110.48 1x4u n SER 21 Ca 0.09 -0.96 -0.39 0.00 1.01 0.00 0.00 58.87 58.62 1x4u n SER 21 Cb 0.35 -3.25 -0.10 0.00 -1.01 0.00 0.00 64.21 60.20 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 -3.78 3.25 0.47 -0.43 0.00 -1.26 -4.74 121.76 115.28 1x4u s ALA 22 Ca 0.15 -2.30 -0.19 0.00 0.00 0.00 0.00 51.96 49.62 1x4u s ALA 22 Cb -0.08 -2.59 -0.15 0.00 0.00 0.00 0.00 23.12 20.31 1x4u s ALA 22 CO 0.88 -1.71 0.02 2.41 0.00 0.00 0.00 175.76 177.36 1x4u n THR 23 N 4.82 0.46 -3.05 0.00 -1.04 -1.26 -3.62 114.28 110.59 1x4u n THR 23 Ca -0.08 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 60.99 1x4u n THR 23 Cb 0.42 -0.08 -0.05 0.00 -1.82 0.00 0.00 70.33 68.80 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 -1.86 2.93 0.47 -1.42 0.40 -1.26 -4.91 117.98 112.34 1x4u s PHE 24 Ca 0.59 -0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1x4u s PHE 24 Cb -0.54 -3.91 -0.00 0.00 0.51 0.00 0.00 43.02 39.08 1x4u s PHE 24 CO 0.64 -1.28 0.72 -1.54 0.70 0.00 0.00 175.22 174.45 1x4u s SER 25 N 3.24 5.84 0.61 1.36 1.04 -1.26 -4.89 113.70 119.64 1x4u s SER 25 Ca 0.17 0.42 0.26 0.00 0.48 0.00 0.00 55.95 57.28 1x4u s SER 25 Cb -0.20 -1.64 1.03 0.00 0.10 0.00 0.00 66.02 65.31 1x4u s SER 25 CO 0.10 -0.74 1.43 1.62 0.98 0.00 0.00 173.24 176.63 1x4u h VAL 26 N 0.30 0.07 -0.53 5.02 3.04 -2.05 1.59 116.25 123.69 1x4u h VAL 26 Ca -0.46 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 64.99 1x4u h VAL 26 Cb 1.25 0.15 -0.14 0.00 -2.01 0.00 0.00 31.29 30.53 1x4u h VAL 26 CO 0.58 0.00 0.31 0.18 -1.01 0.00 0.00 177.57 177.63 1x4u n LEU 27 N -3.31 4.88 -3.53 3.16 4.32 -1.26 -4.86 117.00 116.40 1x4u n LEU 27 Ca 0.19 -2.55 -0.17 0.00 -0.02 0.00 0.00 56.01 53.46 1x4u n LEU 27 Cb 1.32 -0.68 -0.06 0.00 -1.62 0.00 0.00 43.42 42.38 1x4u n LEU 27 CO 0.23 0.75 0.50 -0.75 -1.22 0.00 0.00 177.39 176.90 1x4u s LYS 28 N -1.91 0.97 -0.11 3.23 2.20 0.54 -5.11 119.74 119.55 1x4u s LYS 28 Ca 0.32 0.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.24 1x4u s LYS 28 Cb 0.27 0.46 -0.00 0.00 -1.51 0.00 0.00 37.83 37.05 1x4u s LYS 28 CO 0.07 -0.30 -0.22 -1.59 -0.36 0.00 0.00 175.35 172.95 1x4u s LYS 29 N -1.11 3.08 -0.27 4.03 0.00 -1.26 -4.46 119.74 119.75 1x4u s LYS 29 Ca -0.09 -0.85 -0.29 0.00 0.00 0.00 0.00 55.97 54.74 1x4u s LYS 29 Cb -0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 37.83 35.45 1x4u s LYS 29 CO 0.08 0.16 1.76 0.50 0.00 0.00 0.00 175.35 177.85 1x4u s ARG 30 N 0.40 3.52 0.75 1.78 3.52 -1.26 -4.47 118.95 123.19 1x4u s ARG 30 Ca -0.17 1.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.96 1x4u s ARG 30 Cb -0.17 -4.15 0.13 0.00 -1.56 0.00 0.00 34.95 29.20 1x4u s ARG 30 CO 0.07 -1.64 1.05 1.03 -0.81 0.00 0.00 175.30 175.00 1x4u s ARG 31 N 5.30 1.60 -0.08 5.12 0.52 -0.22 -4.91 118.95 126.28 1x4u s ARG 31 Ca 0.78 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 55.14 1x4u s ARG 31 Cb -0.24 -2.22 0.03 0.00 0.52 0.00 0.00 34.95 33.03 1x4u s ARG 31 CO 0.33 -1.56 -0.01 -1.12 0.02 0.00 0.00 175.30 172.96 1x4u s SER 32 N -4.72 1.74 1.05 0.23 0.01 -1.26 -2.56 113.70 108.19 1x4u s SER 32 Ca 0.66 -0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.64 1x4u s SER 32 Cb -0.06 -0.52 0.16 0.00 0.21 0.00 0.00 66.02 65.82 1x4u s SER 32 CO 0.46 -0.19 0.75 0.00 0.41 0.00 0.00 173.24 174.67 1x4u n SER 34 N -3.43 0.69 0.00 0.00 2.88 -1.02 -3.90 113.62 108.83 1x4u n SER 34 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1x4u n SER 34 Cb 0.55 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x4u n ASN 35 N -2.64 0.00 0.04 -3.46 5.15 -1.26 -4.55 115.26 108.54 1x4u n ASN 35 Ca -0.28 0.14 -0.02 0.00 -0.60 0.00 0.00 54.58 53.82 1x4u n ASN 35 Cb 1.06 -0.23 0.24 0.00 -0.53 0.00 0.00 39.78 40.32 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 -0.47 0.66 3.90 0.00 0.00 -1.25 -5.02 105.19 103.00 1x4u n GLY 37 Ca -0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 4.92 0.03 1.61 0.01 -1.26 -4.69 114.94 112.56 1x4u s ASN 38 Ca 0.05 -0.91 -0.22 0.00 -0.71 0.00 0.00 52.86 51.06 1x4u s ASN 38 Cb -0.02 -0.17 -0.06 0.00 0.41 0.00 0.00 41.25 41.41 1x4u s ASN 38 CO 0.06 -0.87 0.67 -0.44 -1.51 0.00 0.00 177.10 175.02 1x4u s SER 39 N -4.24 7.11 0.12 -1.22 0.01 -1.26 -0.60 113.70 113.62 1x4u s SER 39 Ca 0.45 1.32 -0.08 0.00 1.31 0.00 0.00 55.95 58.96 1x4u s SER 39 Cb -0.03 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1x4u s SER 39 CO 0.27 0.09 0.20 -0.36 0.41 0.00 0.00 173.24 173.85 1x4u s PHE 40 N -0.29 0.33 0.54 2.43 0.08 -1.06 -2.56 117.98 117.45 1x4u s PHE 40 Ca 0.34 -0.74 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 1x4u s PHE 40 Cb -0.20 -0.12 0.13 0.00 -0.57 0.00 0.00 43.02 42.26 1x4u s PHE 40 CO 0.20 -0.60 0.64 0.00 -0.10 0.00 0.00 175.22 175.37 1x4u n SER 42 N -3.59 0.66 -0.01 0.00 7.64 -1.26 -2.26 113.62 114.80 1x4u n SER 42 Ca 0.08 -1.25 0.05 0.00 1.01 0.00 0.00 58.87 58.77 1x4u n SER 42 Cb 0.30 -0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 1x4u n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x4u n ARG 43 N -0.47 0.47 -0.08 1.43 1.74 -1.26 -4.50 116.66 113.99 1x4u n ARG 43 Ca 0.21 -0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 1x4u n ARG 43 Cb 0.21 -1.28 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4u n SER 46 N -0.24 1.93 -4.26 0.00 7.64 -1.25 -4.61 113.62 112.84 1x4u n SER 46 Ca 0.46 -3.89 -0.36 0.00 1.01 0.00 0.00 58.87 56.08 1x4u n SER 46 Cb 0.61 -0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 63.15 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 -3.26 3.18 0.08 1.43 0.08 -1.21 -5.00 117.98 113.29 1x4u s PHE 47 Ca 0.39 -1.41 -0.30 0.00 0.12 0.00 0.00 56.93 55.73 1x4u s PHE 47 Cb 0.37 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 1x4u s PHE 47 CO -0.06 -0.70 1.00 0.15 -0.10 0.00 0.00 175.22 175.51 1x4u s LYS 48 N 1.38 4.62 -0.03 0.44 1.02 -1.26 -1.11 119.74 124.81 1x4u s LYS 48 Ca -0.01 1.50 -0.13 0.00 0.02 0.00 0.00 55.97 57.35 1x4u s LYS 48 Cb -0.18 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1x4u s LYS 48 CO 0.00 0.08 0.28 0.14 -0.92 0.00 0.00 175.35 174.93 1x4u s VAL 49 N 0.37 0.05 -0.06 3.17 -7.23 0.34 -4.93 120.40 112.12 1x4u s VAL 49 Ca 0.50 -0.44 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 1x4u s VAL 49 Cb -0.24 -0.56 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 1x4u s VAL 49 CO 0.30 -0.24 1.50 -2.16 -0.31 0.00 0.00 175.10 174.19 1x4u s PRO 50 N -1.12 4.22 0.00 4.82 0.04 -1.26 -0.57 135.00 141.13 1x4u s PRO 50 Ca -0.12 2.02 0.17 0.00 0.04 0.00 0.00 61.00 63.11 1x4u s PRO 50 Cb -0.05 -3.82 1.01 0.00 0.04 0.00 0.00 34.50 31.68 1x4u s PRO 50 CO 0.03 -0.75 1.45 0.36 0.04 0.00 0.00 177.00 178.14 1x4u n LYS 51 N 6.55 0.67 -0.08 4.56 2.85 -1.13 -2.58 118.16 129.00 1x4u n LYS 51 Ca 0.15 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.33 1x4u n LYS 51 Cb 0.43 -1.40 -0.12 0.00 -0.65 0.00 0.00 35.03 33.29 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 -0.90 1.12 -1.62 -5.58 2.88 -1.24 -4.49 113.62 103.80 1x4u n SER 52 Ca 0.13 -0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.52 1x4u n SER 52 Cb 0.06 0.82 0.16 0.00 -0.75 0.00 0.00 64.21 64.51 1x4u n SER 52 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4u n SER 53 N -2.62 3.58 -0.67 -3.46 7.64 -1.06 -4.16 113.62 112.86 1x4u n SER 53 Ca -0.27 -3.75 0.08 0.00 1.01 0.00 0.00 58.87 55.94 1x4u n SER 53 Cb 1.01 -0.69 0.21 0.00 -1.01 0.00 0.00 64.21 63.73 1x4u n SER 53 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1x4u n MET 54 N -1.07 2.62 0.00 1.43 0.00 -1.12 -4.87 117.12 114.11 1x4u n MET 54 Ca 0.44 -2.63 0.00 0.00 0.00 0.00 0.00 57.70 55.51 1x4u n MET 54 Cb 1.13 -1.67 0.00 0.00 0.00 0.00 0.00 33.22 32.68 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 -0.54 2.82 3.85 3.17 0.00 -1.26 -4.97 105.19 108.26 1x4u n GLY 55 Ca 0.18 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 4.03 0.04 4.61 0.00 -1.26 -5.14 121.76 124.04 1x4u s ALA 56 Ca 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.11 1x4u s ALA 56 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1x4u s ALA 56 CO 0.00 -0.26 -0.04 0.95 0.00 0.00 0.00 175.76 176.41 1x4u s THR 57 N -2.54 0.28 -0.01 0.00 -4.23 -1.26 -4.24 115.64 103.64 1x4u s THR 57 Ca 0.45 -1.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1x4u s THR 57 Cb -0.02 -0.67 0.05 0.00 1.34 0.00 0.00 72.50 73.21 1x4u s THR 57 CO 0.26 -0.58 0.55 0.00 -0.54 0.00 0.00 174.62 174.31 1x4u s ALA 58 N -2.03 -1.42 -1.78 3.99 0.00 -1.26 -5.02 121.76 114.25 1x4u s ALA 58 Ca -0.08 0.86 0.15 0.00 0.00 0.00 0.00 51.96 52.89 1x4u s ALA 58 Cb -0.06 0.15 0.86 0.00 0.00 0.00 0.00 23.12 24.08 1x4u s ALA 58 CO -0.02 -0.40 1.37 -0.35 0.00 0.00 0.00 175.76 176.36 1x4u n PRO 59 N 0.80 0.38 -0.03 0.00 -0.04 -1.26 -3.46 135.00 131.40 1x4u n PRO 59 Ca -0.19 0.06 -0.06 0.00 -0.04 0.00 0.00 63.50 63.26 1x4u n PRO 59 Cb 0.58 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.11 0.12 -1.33 0.54 -0.58 -1.26 -4.78 120.64 112.24 1x4u n GLU 60 Ca 0.10 0.05 -0.38 0.00 -0.42 0.00 0.00 57.16 56.51 1x4u n GLU 60 Cb 0.08 -0.71 -0.02 0.00 -0.57 0.00 0.00 31.44 30.22 1x4u n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4u n ALA 61 N -3.29 6.86 -2.42 0.62 0.00 -1.22 -4.86 120.51 116.19 1x4u n ALA 61 Ca -0.11 -3.44 -0.15 0.00 0.00 0.00 0.00 53.44 49.74 1x4u n ALA 61 Cb 0.55 -3.38 -0.11 0.00 0.00 0.00 0.00 19.45 16.51 1x4u n ALA 61 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1x4u s GLN 62 N 2.53 0.94 -1.49 0.00 -2.07 -1.26 -3.63 119.66 114.68 1x4u s GLN 62 Ca 0.63 -1.25 0.00 0.00 -1.82 0.00 0.00 55.36 52.92 1x4u s GLN 62 Cb 0.16 -0.63 0.00 0.00 -1.09 0.00 0.00 33.01 31.46 1x4u s GLN 62 CO -0.06 0.10 0.00 0.54 -1.32 0.00 0.00 175.29 174.55 1x4u n ARG 63 N 0.36 -1.77 -5.11 9.60 5.12 -1.26 -4.95 116.66 118.65 1x4u n ARG 63 Ca -0.14 0.84 -0.31 0.00 -1.93 0.00 0.00 57.85 56.30 1x4u n ARG 63 Cb 0.58 -5.35 -0.15 0.00 -1.16 0.00 0.00 32.46 26.38 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 -4.45 2.17 -0.26 5.56 2.56 -1.26 -5.10 118.70 117.91 1x4u s GLU 64 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 54.97 54.02 1x4u s GLU 64 Cb 0.00 -2.13 -0.00 0.00 2.00 0.00 0.00 34.13 34.00 1x4u s GLU 64 CO 0.00 0.57 0.04 0.95 -0.56 0.00 0.00 175.26 176.26 1x4u s THR 65 N -0.69 3.86 0.37 -1.70 -4.23 -1.26 -2.85 115.64 109.14 1x4u s THR 65 Ca 0.11 -0.53 0.08 0.00 -1.18 0.00 0.00 61.69 60.17 1x4u s THR 65 Cb -0.10 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1x4u s THR 65 CO 0.00 0.23 0.32 0.68 -0.54 0.00 0.00 174.62 175.31 1x4u s VAL 66 N 1.52 3.14 -0.24 2.29 -7.23 0.27 -4.82 120.40 115.32 1x4u s VAL 66 Ca 0.04 -1.38 -0.10 0.00 -1.81 0.00 0.00 61.98 58.74 1x4u s VAL 66 Cb -0.16 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 1x4u s VAL 66 CO 0.01 -0.10 0.13 -0.36 -0.31 0.00 0.00 175.10 174.47 1x4u s PHE 67 N -2.38 3.26 0.38 2.82 0.08 -1.26 -0.50 117.98 120.37 1x4u s PHE 67 Ca 0.44 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.62 1x4u s PHE 67 Cb -0.04 -2.25 -0.06 0.00 -0.57 0.00 0.00 43.02 40.10 1x4u s PHE 67 CO 0.27 -0.01 0.05 0.14 -0.10 0.00 0.00 175.22 175.57 1x4u s VAL 68 N 1.11 1.31 0.10 -0.44 -7.23 -0.26 -2.43 120.40 112.54 1x4u s VAL 68 Ca 0.06 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1x4u s VAL 68 Cb -0.14 -2.72 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 1x4u s VAL 68 CO 0.05 0.00 0.56 0.00 -0.31 0.00 0.00 175.10 175.40 1x4u n ALA 70 N 1.43 -0.33 -0.33 0.00 0.00 -0.73 0.14 120.51 120.69 1x4u n ALA 70 Ca -0.09 0.76 0.27 0.00 0.00 0.00 0.00 53.44 54.38 1x4u n ALA 70 Cb 0.51 -0.23 0.51 0.00 0.00 0.00 0.00 19.45 20.24 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 0.23 0.00 0.00 0.87 -1.94 0.16 113.55 112.87 1x4u h SER 71 Ca 0.20 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1x4u h SER 71 Cb 0.41 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1x4u h SER 71 CO -0.80 -0.35 -0.02 0.00 -0.53 0.00 0.00 176.83 175.13 1x4u n ASN 73 N -3.60 0.26 -0.03 0.00 5.15 -0.07 0.21 115.26 117.17 1x4u n ASN 73 Ca -0.00 1.22 -0.12 0.00 -0.60 0.00 0.00 54.58 55.07 1x4u n ASN 73 Cb 0.01 -0.60 -0.07 0.00 -0.53 0.00 0.00 39.78 38.59 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 0.19 0.17 1.20 4.20 -1.12 -2.69 115.11 117.06 1x4u h GLN 74 Ca 0.63 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.26 1x4u h GLN 74 Cb 1.66 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.43 1x4u h GLN 74 CO -0.56 0.49 -0.08 1.15 -0.67 0.00 0.00 178.83 179.15 1x4u h THR 75 N -0.12 0.93 -0.76 -0.54 2.02 0.25 -3.23 112.91 111.45 1x4u h THR 75 Ca 0.03 -0.95 0.13 0.00 0.77 0.00 0.00 66.41 66.38 1x4u h THR 75 Cb 0.41 1.46 -0.14 0.00 -1.74 0.00 0.00 68.15 68.15 1x4u h THR 75 CO 0.01 0.20 -0.33 -0.07 0.37 0.00 0.00 175.52 175.70 1x4u h LEU 76 N -0.73 -1.18 -6.97 2.58 3.38 -0.30 -2.59 115.31 109.49 1x4u h LEU 76 Ca -0.02 0.26 -0.77 0.00 0.09 0.00 0.00 57.88 57.43 1x4u h LEU 76 Cb 0.51 0.62 -0.31 0.00 0.09 0.00 0.00 40.66 41.58 1x4u h LEU 76 CO 0.04 -0.29 0.46 -1.54 0.09 0.00 0.00 178.44 177.20 1x4u n SER 77 N -5.46 5.71 -4.17 -0.43 3.41 -1.02 -4.91 113.62 106.76 1x4u n SER 77 Ca 0.07 -3.33 -0.17 0.00 -0.26 0.00 0.00 58.87 55.18 1x4u n SER 77 Cb 0.38 -1.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.02 1x4u n SER 77 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1x4u s LYS 78 N -2.36 0.83 0.02 4.33 -2.85 -0.98 -4.82 119.74 113.91 1x4u s LYS 78 Ca 0.32 -1.02 -0.31 0.00 -1.00 0.00 0.00 55.97 53.97 1x4u s LYS 78 Cb 0.02 -0.74 -0.09 0.00 -2.06 0.00 0.00 37.83 34.96 1x4u s LYS 78 CO 0.04 0.15 1.97 0.45 0.10 0.00 0.00 175.35 178.06 1x4u n SER 79 N 1.05 4.10 -4.56 0.03 2.88 -1.26 -4.89 113.62 110.98 1x4u n SER 79 Ca -0.20 0.91 -0.45 0.00 -1.33 0.00 0.00 58.87 57.81 1x4u n SER 79 Cb 0.55 -1.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.49 1x4u n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4u n GLY 80 N 4.54 -0.51 3.77 0.46 0.00 -1.26 -4.93 105.19 107.26 1x4u n GLY 80 Ca 0.20 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.49 2.37 -0.33 1.61 0.04 -1.26 -4.96 135.00 130.98 1x4u s PRO 81 Ca 0.60 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1x4u s PRO 81 Cb -0.73 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1x4u s PRO 81 CO 0.59 -1.57 1.38 -1.12 0.04 0.00 0.00 177.00 176.33 1x4u s SER 82 N -3.22 6.51 0.15 6.66 0.01 -1.26 -4.91 113.70 117.64 1x4u s SER 82 Ca 0.62 1.11 -0.24 0.00 1.31 0.00 0.00 55.95 58.75 1x4u s SER 82 Cb -0.18 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.53 1x4u s SER 82 CO 0.53 -1.23 1.61 -1.28 0.41 0.00 0.00 173.24 173.27 1x4u h SER 83 N 9.98 -1.02 0.00 2.44 0.87 -2.04 -3.57 113.55 120.21 1x4u h SER 83 Ca -0.27 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x4u h SER 83 Cb 1.11 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1x4u h SER 83 CO 1.05 -0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.62