#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 5.87 0.30 1.61 1.04 -1.26 -5.12 113.70 116.14 1x4u s SER 2 Ca 0.00 0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.73 1x4u s SER 2 Cb 0.00 -1.75 -0.03 0.00 0.10 0.00 0.00 66.02 64.34 1x4u s SER 2 CO 0.00 0.30 0.28 -0.94 0.98 0.00 0.00 173.24 173.86 1x4u s SER 3 N -1.59 5.54 -0.30 7.02 1.04 -1.26 -5.10 113.70 119.05 1x4u s SER 3 Ca 0.22 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1x4u s SER 3 Cb -0.12 -1.23 0.06 0.00 0.10 0.00 0.00 66.02 64.83 1x4u s SER 3 CO 0.12 -0.22 -0.02 -0.83 0.98 0.00 0.00 173.24 173.27 1x4u s GLY 4 N -3.96 1.76 -0.31 7.32 0.00 -1.26 -5.06 107.32 105.81 1x4u s GLY 4 Ca 0.38 -1.93 0.03 0.00 0.00 0.00 0.00 44.72 43.20 1x4u s GLY 4 CO 0.27 0.72 0.01 -0.45 0.00 0.00 0.00 173.10 173.65 1x4u s SER 5 N 1.20 4.48 0.42 1.64 0.15 -1.26 -5.10 113.70 115.22 1x4u s SER 5 Ca -0.04 -1.81 -0.25 0.00 0.70 0.00 0.00 55.95 54.56 1x4u s SER 5 Cb -0.20 -1.44 -0.10 0.00 -1.71 0.00 0.00 66.02 62.56 1x4u s SER 5 CO -0.04 -0.33 1.13 -0.24 1.20 0.00 0.00 173.24 174.96 1x4u n SER 6 N 4.43 1.83 -2.97 5.45 2.88 -1.26 -4.98 113.62 119.00 1x4u n SER 6 Ca -0.02 1.07 -0.14 0.00 -1.33 0.00 0.00 58.87 58.45 1x4u n SER 6 Cb 0.42 -1.42 -0.02 0.00 -0.75 0.00 0.00 64.21 62.45 1x4u n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4u n GLY 7 N 1.02 0.78 3.62 0.46 0.00 -1.26 -5.12 105.19 104.68 1x4u n GLY 7 Ca 0.08 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1x4u n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4u s ARG 8 N 0.29 0.37 0.10 1.61 1.70 -1.26 -5.18 118.95 116.58 1x4u s ARG 8 Ca 0.32 0.26 0.03 0.00 -0.47 0.00 0.00 55.73 55.87 1x4u s ARG 8 Cb 0.10 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1x4u s ARG 8 CO -0.15 -0.08 -0.10 1.52 -1.08 0.00 0.00 175.30 175.42 1x4u s TYR 9 N -0.42 1.03 0.81 5.89 1.13 -1.26 -5.15 117.35 119.38 1x4u s TYR 9 Ca 0.03 -0.68 -0.11 0.00 -1.41 0.00 0.00 57.07 54.90 1x4u s TYR 9 Cb -0.03 -0.57 0.08 0.00 -1.10 0.00 0.00 41.96 40.34 1x4u s TYR 9 CO -0.06 -0.02 1.09 -1.25 -2.51 0.00 0.00 175.55 172.81 1x4u s PRO 10 N -2.90 1.93 -0.23 -3.49 0.04 -1.26 -5.08 135.00 124.02 1x4u s PRO 10 Ca 0.06 1.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 1x4u s PRO 10 Cb -0.02 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1x4u s PRO 10 CO -0.00 -1.84 0.58 0.99 0.04 0.00 0.00 177.00 176.77 1x4u s THR 11 N -2.91 -0.00 -0.16 1.26 2.01 -1.26 -5.17 115.64 109.41 1x4u s THR 11 Ca 0.62 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 1x4u s THR 11 Cb -0.17 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.55 1x4u s THR 11 CO 0.56 0.01 0.45 0.21 -0.69 0.00 0.00 174.62 175.16 1x4u s ASN 12 N 0.79 -0.46 0.36 3.53 2.47 -1.26 -5.14 114.94 115.23 1x4u s ASN 12 Ca -0.04 0.86 -0.24 0.00 0.42 0.00 0.00 52.86 53.86 1x4u s ASN 12 Cb -0.05 0.88 -0.14 0.00 -1.45 0.00 0.00 41.25 40.49 1x4u s ASN 12 CO -0.06 -0.18 0.55 0.59 -3.72 0.00 0.00 177.10 174.28 1x4u n ASN 13 N 2.73 -0.88 -3.89 -4.21 4.13 -1.26 -4.96 115.26 106.92 1x4u n ASN 13 Ca -0.14 0.98 -0.30 0.00 1.68 0.00 0.00 54.58 56.80 1x4u n ASN 13 Cb 0.57 -1.08 -0.15 0.00 -1.54 0.00 0.00 39.78 37.58 1x4u n ASN 13 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1x4u s PHE 14 N -1.34 2.72 -0.33 3.10 -0.71 -1.26 -4.94 117.98 115.21 1x4u s PHE 14 Ca 0.62 -2.32 0.15 0.00 -1.04 0.00 0.00 56.93 54.34 1x4u s PHE 14 Cb -0.69 -2.25 0.43 0.00 -1.21 0.00 0.00 43.02 39.31 1x4u s PHE 14 CO 0.59 -0.90 1.34 0.41 -1.34 0.00 0.00 175.22 175.32 1x4u n GLY 15 N 4.56 1.76 3.12 1.99 0.00 -1.26 -5.13 105.19 110.23 1x4u n GLY 15 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.95 0.42 0.54 1.61 0.02 -1.26 -4.20 114.94 110.11 1x4u s ASN 16 Ca 0.18 -1.09 -0.20 0.00 -1.02 0.00 0.00 52.86 50.73 1x4u s ASN 16 Cb 0.41 0.24 -0.07 0.00 0.02 0.00 0.00 41.25 41.85 1x4u s ASN 16 CO -0.08 -0.65 0.90 0.00 0.02 0.00 0.00 177.10 177.29 1x4u n THR 18 N -1.31 2.38 0.00 0.00 -1.04 -1.05 -2.77 114.28 110.49 1x4u n THR 18 Ca 0.12 -1.22 0.00 0.00 -2.04 0.00 0.00 64.05 60.91 1x4u n THR 18 Cb 0.45 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 0.36 0.00 0.10 3.41 0.00 -1.26 -4.88 105.19 102.92 1x4u n GLY 19 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.56 -3.48 -4.20 0.00 7.64 -1.12 -4.97 113.62 106.93 1x4u n SER 21 Ca 0.02 -0.62 -0.38 0.00 1.01 0.00 0.00 58.87 58.90 1x4u n SER 21 Cb 0.12 -4.96 -0.11 0.00 -1.01 0.00 0.00 64.21 58.25 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 -3.37 3.20 0.40 -0.43 0.00 -1.26 -4.75 121.76 115.55 1x4u s ALA 22 Ca 0.22 -2.28 -0.22 0.00 0.00 0.00 0.00 51.96 49.68 1x4u s ALA 22 Cb -0.10 -2.51 -0.14 0.00 0.00 0.00 0.00 23.12 20.37 1x4u s ALA 22 CO 0.74 -1.69 0.35 2.41 0.00 0.00 0.00 175.76 177.57 1x4u n THR 23 N 4.78 1.30 -2.97 0.00 -1.04 -1.26 -3.64 114.28 111.44 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 -0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 68.65 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 -1.53 3.41 1.05 -1.42 0.40 -1.26 -4.92 117.98 113.71 1x4u s PHE 24 Ca 0.62 -1.89 -0.13 0.00 -0.60 0.00 0.00 56.93 54.93 1x4u s PHE 24 Cb -0.64 -4.26 0.22 0.00 0.51 0.00 0.00 43.02 38.85 1x4u s PHE 24 CO 0.60 -1.39 1.09 -1.54 0.70 0.00 0.00 175.22 174.68 1x4u s SER 25 N 3.02 2.14 0.42 1.36 1.04 -1.26 -4.77 113.70 115.65 1x4u s SER 25 Ca 0.37 1.11 0.22 0.00 0.48 0.00 0.00 55.95 58.14 1x4u s SER 25 Cb -0.04 -1.73 1.21 0.00 0.10 0.00 0.00 66.02 65.56 1x4u s SER 25 CO -0.04 -3.43 1.74 -0.37 0.98 0.00 0.00 173.24 172.12 1x4u h VAL 26 N -2.10 0.42 -0.33 5.02 -1.51 -2.05 0.53 116.25 116.22 1x4u h VAL 26 Ca -0.54 -0.10 -0.20 0.00 -1.23 0.00 0.00 66.70 64.63 1x4u h VAL 26 Cb 1.33 0.10 -0.10 0.00 -2.13 0.00 0.00 31.29 30.49 1x4u h VAL 26 CO 0.54 0.05 0.25 0.18 -1.23 0.00 0.00 177.57 177.37 1x4u n LEU 27 N -4.62 5.06 -3.67 4.19 7.99 -1.26 -4.84 117.00 119.86 1x4u n LEU 27 Ca 0.28 -2.56 -0.10 0.00 -0.01 0.00 0.00 56.01 53.62 1x4u n LEU 27 Cb 1.04 -0.81 -0.04 0.00 -0.11 0.00 0.00 43.42 43.49 1x4u n LEU 27 CO 0.25 0.89 0.20 -0.75 -1.51 0.00 0.00 177.39 176.47 1x4u s LYS 28 N -1.18 1.17 -0.12 3.23 2.20 0.18 -5.15 119.74 120.08 1x4u s LYS 28 Ca 0.20 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1x4u s LYS 28 Cb 0.16 0.49 0.02 0.00 -1.51 0.00 0.00 37.83 36.99 1x4u s LYS 28 CO 0.02 -0.47 -0.10 0.15 -0.36 0.00 0.00 175.35 174.58 1x4u s LYS 29 N -3.83 1.83 -0.89 4.03 3.01 -1.26 -4.67 119.74 117.96 1x4u s LYS 29 Ca 0.05 -0.38 -0.24 0.00 -1.01 0.00 0.00 55.97 54.39 1x4u s LYS 29 Cb 0.01 -1.77 -0.00 0.00 -1.01 0.00 0.00 37.83 35.06 1x4u s LYS 29 CO -0.09 -0.23 1.69 0.50 0.51 0.00 0.00 175.35 177.73 1x4u s ARG 30 N 1.54 3.00 0.86 1.68 3.52 -1.26 -4.33 118.95 123.96 1x4u s ARG 30 Ca 0.03 -0.47 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 1x4u s ARG 30 Cb -0.13 -4.99 0.11 0.00 -1.56 0.00 0.00 34.95 28.38 1x4u s ARG 30 CO -0.08 -2.75 1.10 0.50 -0.81 0.00 0.00 175.30 173.26 1x4u s ARG 31 N 6.15 1.54 -0.11 5.12 3.52 0.29 -4.81 118.95 130.65 1x4u s ARG 31 Ca 0.57 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.83 1x4u s ARG 31 Cb -0.05 -1.86 0.02 0.00 -1.56 0.00 0.00 34.95 31.50 1x4u s ARG 31 CO 0.00 -2.00 -0.14 -1.12 -0.81 0.00 0.00 175.30 171.23 1x4u s SER 32 N -3.72 2.35 1.05 -2.12 0.01 -1.26 -1.29 113.70 108.72 1x4u s SER 32 Ca 0.62 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 57.33 1x4u s SER 32 Cb -0.16 -1.04 0.11 0.00 0.21 0.00 0.00 66.02 65.14 1x4u s SER 32 CO 0.55 -0.00 0.40 0.00 0.41 0.00 0.00 173.24 174.60 1x4u n SER 34 N -2.24 0.82 0.00 0.00 7.64 -1.16 -3.93 113.62 114.75 1x4u n SER 34 Ca 0.04 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1x4u n SER 34 Cb 0.57 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.62 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 -2.67 0.00 -0.07 6.43 5.15 -1.26 -4.54 115.26 118.30 1x4u n ASN 35 Ca -0.29 0.16 -0.03 0.00 -0.60 0.00 0.00 54.58 53.82 1x4u n ASN 35 Cb 1.06 -0.25 0.20 0.00 -0.53 0.00 0.00 39.78 40.26 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 -0.67 0.80 2.42 0.00 0.00 -1.25 -5.02 105.19 101.46 1x4u n GLY 37 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1x4u n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4u n ASN 38 N 1.60 1.74 -4.85 1.61 3.02 -1.26 -4.71 115.26 112.41 1x4u n ASN 38 Ca -0.00 -2.09 -0.36 0.00 -0.03 0.00 0.00 54.58 52.10 1x4u n ASN 38 Cb 0.50 -0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 1x4u n ASN 38 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x4u s SER 39 N -3.14 6.77 0.17 6.41 1.04 -1.26 -0.52 113.70 123.17 1x4u s SER 39 Ca 0.28 0.94 -0.20 0.00 0.48 0.00 0.00 55.95 57.46 1x4u s SER 39 Cb -0.02 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.91 1x4u s SER 39 CO 0.18 0.23 0.55 -0.36 0.98 0.00 0.00 173.24 174.81 1x4u s PHE 40 N -1.27 -0.32 0.87 5.02 0.08 -0.41 -2.53 117.98 119.42 1x4u s PHE 40 Ca 0.30 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.27 1x4u s PHE 40 Cb -0.16 0.46 0.19 0.00 -0.57 0.00 0.00 43.02 42.95 1x4u s PHE 40 CO 0.16 -0.87 1.18 0.00 -0.10 0.00 0.00 175.22 175.60 1x4u n SER 42 N -3.56 1.67 0.00 0.00 2.88 -1.26 -2.62 113.62 110.73 1x4u n SER 42 Ca 0.16 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 1x4u n SER 42 Cb 0.56 -0.52 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 0.54 -1.23 0.00 0.00 175.04 174.35 1x4u n ARG 43 N 0.09 2.45 -0.01 -1.46 5.12 -1.26 -4.78 116.66 116.80 1x4u n ARG 43 Ca 0.04 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.78 1x4u n ARG 43 Cb 0.38 -0.81 -0.14 0.00 -1.16 0.00 0.00 32.46 30.74 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x4u n SER 46 N 0.30 5.18 -4.15 0.00 2.88 -1.22 -4.51 113.62 112.11 1x4u n SER 46 Ca 0.35 -3.75 -0.33 0.00 -1.33 0.00 0.00 58.87 53.80 1x4u n SER 46 Cb 0.58 -0.42 -0.15 0.00 -0.75 0.00 0.00 64.21 63.47 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 -3.62 3.04 0.06 0.66 0.08 -1.16 -4.98 117.98 112.05 1x4u s PHE 47 Ca 0.52 -1.76 -0.30 0.00 0.12 0.00 0.00 56.93 55.51 1x4u s PHE 47 Cb 0.42 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1x4u s PHE 47 CO 0.00 -0.79 0.97 0.15 -0.10 0.00 0.00 175.22 175.46 1x4u s LYS 48 N 1.26 4.63 0.01 0.44 1.02 -1.26 -0.43 119.74 125.41 1x4u s LYS 48 Ca -0.01 1.44 -0.13 0.00 0.02 0.00 0.00 55.97 57.29 1x4u s LYS 48 Cb -0.16 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 1x4u s LYS 48 CO -0.07 0.08 0.28 0.14 -0.92 0.00 0.00 175.35 174.85 1x4u s VAL 49 N 0.51 0.07 0.05 3.17 -7.23 0.74 -4.94 120.40 112.77 1x4u s VAL 49 Ca 0.50 -0.60 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 1x4u s VAL 49 Cb -0.22 -0.71 -0.07 0.00 0.56 0.00 0.00 36.38 35.94 1x4u s VAL 49 CO 0.29 -0.33 1.41 -2.16 -0.31 0.00 0.00 175.10 174.00 1x4u s PRO 50 N -1.80 4.29 -0.41 4.82 0.04 -1.26 -0.60 135.00 140.08 1x4u s PRO 50 Ca -0.10 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 1x4u s PRO 50 Cb -0.04 -3.45 0.27 0.00 0.04 0.00 0.00 34.50 31.32 1x4u s PRO 50 CO 0.01 -0.53 2.04 0.36 0.04 0.00 0.00 177.00 178.93 1x4u n LYS 51 N 4.84 2.04 -0.04 4.56 2.85 -1.23 -4.14 118.16 127.03 1x4u n LYS 51 Ca 0.13 -2.02 -0.08 0.00 -1.05 0.00 0.00 58.31 55.29 1x4u n LYS 51 Cb 0.43 -1.80 -0.03 0.00 -0.65 0.00 0.00 35.03 32.98 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 0.05 1.41 -4.21 -5.58 2.88 -1.25 -4.79 113.62 102.13 1x4u n SER 52 Ca 0.39 0.06 -0.43 0.00 -1.33 0.00 0.00 58.87 57.56 1x4u n SER 52 Cb 0.59 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 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 -3.18 5.46 0.09 -3.46 7.64 -1.26 -4.64 113.62 114.27 1x4u n SER 53 Ca -0.15 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1x4u n SER 53 Cb 0.62 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1x4u n SER 53 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1x4u n MET 54 N 2.28 0.00 0.06 1.43 2.00 -1.26 -5.05 117.12 116.59 1x4u n MET 54 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.94 1x4u n MET 54 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 33.22 33.37 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 2.39 -0.90 3.23 3.03 0.00 -1.26 -5.11 105.19 106.56 1x4u n GLY 55 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.73 -2.69 -0.11 4.61 0.00 -1.26 -5.17 121.76 115.41 1x4u s ALA 56 Ca 0.00 1.78 -0.19 0.00 0.00 0.00 0.00 51.96 53.55 1x4u s ALA 56 Cb 0.00 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 20.93 1x4u s ALA 56 CO 0.00 -1.29 0.47 -0.08 0.00 0.00 0.00 175.76 174.86 1x4u s THR 57 N 2.84 0.02 1.03 0.00 -1.32 -1.26 -5.16 115.64 111.79 1x4u s THR 57 Ca 0.08 -0.14 -0.18 0.00 -1.21 0.00 0.00 61.69 60.24 1x4u s THR 57 Cb -0.12 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 1x4u s THR 57 CO -0.17 -0.07 -0.27 0.00 -2.21 0.00 0.00 174.62 171.90 1x4u n ALA 58 N 2.03 -4.18 0.97 11.08 0.00 -1.26 -4.78 120.51 124.37 1x4u n ALA 58 Ca -0.17 -0.99 0.07 0.00 0.00 0.00 0.00 53.44 52.35 1x4u n ALA 58 Cb 0.56 -1.42 0.44 0.00 0.00 0.00 0.00 19.45 19.03 1x4u n ALA 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x4u n PRO 59 N -0.42 0.49 0.11 0.00 -0.04 -1.26 -3.35 135.00 130.52 1x4u n PRO 59 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1x4u n PRO 59 Cb 0.61 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 1x4u n PRO 59 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x4u h GLU 60 N 0.00 -0.28 -5.83 0.54 4.39 -2.00 -3.38 114.58 108.02 1x4u h GLU 60 Ca 0.00 0.02 -0.42 0.00 0.34 0.00 0.00 59.36 59.30 1x4u h GLU 60 Cb 0.00 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 1x4u h GLU 60 CO 0.00 0.06 1.08 0.00 -1.16 0.00 0.00 179.01 178.99 1x4u s ALA 61 N -4.68 2.10 0.01 3.43 0.00 -1.21 -4.62 121.76 116.78 1x4u s ALA 61 Ca -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 49.93 1x4u s ALA 61 Cb 0.02 -4.56 -0.00 0.00 0.00 0.00 0.00 23.12 18.58 1x4u s ALA 61 CO 0.57 -4.38 -0.03 1.04 0.00 0.00 0.00 175.76 172.96 1x4u n GLN 62 N 8.80 0.04 0.04 0.00 6.02 -1.26 -3.81 117.38 127.22 1x4u n GLN 62 Ca 0.39 0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 57.32 1x4u n GLN 62 Cb 0.48 -0.32 -0.13 0.00 1.02 0.00 0.00 30.24 31.29 1x4u n GLN 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x4u h ARG 63 N -0.08 0.00 -5.06 -1.09 -0.00 -1.95 -3.43 114.38 102.78 1x4u h ARG 63 Ca 0.00 -0.01 -0.53 0.00 -0.50 0.00 0.00 59.98 58.94 1x4u h ARG 63 Cb 0.08 0.00 0.13 0.00 0.00 0.00 0.00 29.97 30.18 1x4u h ARG 63 CO 0.00 0.87 -0.76 -1.91 0.00 0.00 0.00 179.97 178.17 1x4u n GLU 64 N -3.27 0.00 -4.72 0.04 2.13 -1.26 -4.90 120.64 108.66 1x4u n GLU 64 Ca -0.05 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.52 1x4u n GLU 64 Cb 0.97 -0.84 -0.16 0.00 0.27 0.00 0.00 31.44 31.68 1x4u n GLU 64 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1x4u s THR 65 N -1.35 1.29 0.28 6.31 -4.23 -1.26 -3.54 115.64 113.14 1x4u s THR 65 Ca 0.50 -0.61 0.11 0.00 -1.18 0.00 0.00 61.69 60.52 1x4u s THR 65 Cb -0.57 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.09 1x4u s THR 65 CO 0.52 0.38 -0.16 0.68 -0.54 0.00 0.00 174.62 175.50 1x4u s VAL 66 N 0.28 2.62 -0.30 2.29 -7.23 0.23 -4.88 120.40 113.41 1x4u s VAL 66 Ca -0.08 -2.31 -0.10 0.00 -1.81 0.00 0.00 61.98 57.68 1x4u s VAL 66 Cb -0.13 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1x4u s VAL 66 CO 0.03 -0.38 0.17 -0.36 -0.31 0.00 0.00 175.10 174.24 1x4u s PHE 67 N -2.49 3.18 0.50 2.82 0.08 -1.26 -0.19 117.98 120.63 1x4u s PHE 67 Ca 0.30 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.11 1x4u s PHE 67 Cb -0.05 -2.37 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1x4u s PHE 67 CO 0.16 -0.33 0.28 1.33 -0.10 0.00 0.00 175.22 176.55 1x4u n VAL 68 N 5.02 0.00 -3.53 -0.44 0.24 0.43 -2.99 118.33 117.06 1x4u n VAL 68 Ca -0.14 -2.07 -0.30 0.00 -2.04 0.00 0.00 64.34 59.79 1x4u n VAL 68 Cb 0.50 0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.90 1x4u n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4u h ALA 70 N 2.29 0.91 -0.75 0.00 0.00 -1.68 0.55 119.26 120.58 1x4u h ALA 70 Ca -0.47 0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1x4u h ALA 70 Cb 1.18 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 1x4u h ALA 70 CO 0.69 -0.47 0.28 1.03 0.00 0.00 0.00 179.25 180.78 1x4u h SER 71 N 0.05 0.24 0.04 0.00 0.87 -1.92 -0.61 113.55 112.22 1x4u h SER 71 Ca 0.50 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1x4u h SER 71 Cb 0.93 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x4u h SER 71 CO -0.83 0.08 -0.02 0.00 -0.53 0.00 0.00 176.83 175.54 1x4u n ASN 73 N -4.04 0.20 -0.10 0.00 5.15 0.11 0.20 115.26 116.79 1x4u n ASN 73 Ca -0.01 1.37 -0.11 0.00 -0.60 0.00 0.00 54.58 55.23 1x4u n ASN 73 Cb 0.02 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.60 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 0.55 -0.31 1.20 1.08 -1.22 -1.39 115.11 115.01 1x4u h GLN 74 Ca 0.65 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.61 1x4u h GLN 74 Cb 1.66 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.05 1x4u h GLN 74 CO -0.66 0.73 0.01 1.15 -0.95 0.00 0.00 178.83 179.11 1x4u h THR 75 N 0.32 1.25 -0.06 -0.54 2.02 0.24 -2.89 112.91 113.25 1x4u h THR 75 Ca 0.08 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1x4u h THR 75 Cb 0.52 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1x4u h THR 75 CO 0.02 0.30 0.04 -0.07 0.37 0.00 0.00 175.52 176.18 1x4u h LEU 76 N 0.34 0.07 -0.98 2.58 3.38 -0.59 -2.55 115.31 117.56 1x4u h LEU 76 Ca 0.09 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.24 1x4u h LEU 76 Cb 0.42 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 1x4u h LEU 76 CO 0.01 0.07 0.58 -1.28 0.09 0.00 0.00 178.44 177.91 1x4u h SER 77 N 0.07 0.72 -1.10 -0.43 0.87 -1.23 0.27 113.55 112.72 1x4u h SER 77 Ca 0.02 0.11 -0.58 0.00 -1.23 0.00 0.00 61.79 60.11 1x4u h SER 77 Cb 0.01 -0.02 -0.23 0.00 -0.44 0.00 0.00 62.40 61.72 1x4u h SER 77 CO -0.00 0.23 0.72 2.29 -0.53 0.00 0.00 176.83 179.53 1x4u n LYS 78 N -4.81 2.43 -2.96 2.24 2.85 -0.97 -4.86 118.16 112.08 1x4u n LYS 78 Ca 0.23 -2.75 -0.44 0.00 -1.05 0.00 0.00 58.31 54.30 1x4u n LYS 78 Cb 0.59 -2.09 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 1x4u n LYS 78 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1x4u s SER 79 N -0.78 6.80 0.00 -5.58 0.01 0.08 -4.97 113.70 109.26 1x4u s SER 79 Ca 0.53 -2.43 0.00 0.00 1.31 0.00 0.00 55.95 55.35 1x4u s SER 79 Cb 0.41 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1x4u s SER 79 CO -0.14 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.21 1x4u n GLY 80 N 4.89 1.16 0.11 3.44 0.00 -1.26 -4.98 105.19 108.56 1x4u n GLY 80 Ca 0.28 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.27 -5.64 1.61 0.13 -2.05 -3.40 132.00 122.92 1x4u h PRO 81 Ca 0.00 -0.14 -0.25 0.00 -0.87 0.00 0.00 66.00 64.74 1x4u h PRO 81 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1x4u h PRO 81 CO 0.00 0.68 0.67 -1.12 -0.23 0.00 0.00 178.00 178.00 1x4u s SER 82 N -6.02 4.75 0.02 1.44 0.01 -1.26 -4.53 113.70 108.12 1x4u s SER 82 Ca -0.15 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1x4u s SER 82 Cb 0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x4u s SER 82 CO 0.73 -3.03 0.00 -1.54 0.41 0.00 0.00 173.24 169.81 1x4u n SER 83 N 15.29 0.18 0.00 2.44 3.41 -1.26 -5.03 113.62 128.65 1x4u n SER 83 Ca 0.39 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1x4u n SER 83 Cb 0.47 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1x4u n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49