#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1goc n LEU 2 N 0.00 1.15 -4.74 -0.89 7.99 -1.26 -4.74 117.00 114.52 1goc n LEU 2 Ca 0.00 -0.58 -0.41 0.00 -0.01 0.00 0.00 56.01 55.01 1goc n LEU 2 Cb 0.00 -0.21 -0.04 0.00 -0.11 0.00 0.00 43.42 43.06 1goc n LEU 2 CO 0.00 0.20 0.81 -0.75 -1.51 0.00 0.00 177.39 176.14 1goc s LYS 3 N 0.34 4.56 0.33 3.23 2.47 -1.26 -5.06 119.74 124.36 1goc s LYS 3 Ca 0.00 1.74 -0.28 0.00 -1.56 0.00 0.00 55.97 55.87 1goc s LYS 3 Cb 0.00 -3.28 -0.09 0.00 -1.46 0.00 0.00 37.83 33.00 1goc s LYS 3 CO 0.00 0.02 1.17 -0.65 0.16 0.00 0.00 175.35 176.05 1goc s GLN 4 N -0.22 4.38 0.39 4.03 1.11 -1.26 -4.98 119.66 123.11 1goc s GLN 4 Ca 0.51 1.90 -0.27 0.00 0.01 0.00 0.00 55.36 57.50 1goc s GLN 4 Cb -0.30 -2.98 -0.11 0.00 -1.01 0.00 0.00 33.01 28.62 1goc s GLN 4 CO 0.35 -0.05 1.42 0.28 0.01 0.00 0.00 175.29 177.29 1goc n VAL 5 N 0.70 2.23 -4.81 1.09 0.31 -0.71 -4.84 118.33 112.30 1goc n VAL 5 Ca 0.01 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.51 1goc n VAL 5 Cb 0.45 -1.84 -0.14 0.00 -0.91 0.00 0.00 33.84 31.40 1goc n VAL 5 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1goc s GLU 6 N -2.15 3.21 -0.04 5.55 2.02 0.15 -2.52 118.70 124.91 1goc s GLU 6 Ca 0.56 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.91 1goc s GLU 6 Cb -0.49 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 1goc s GLU 6 CO 0.62 0.30 -0.19 0.42 0.02 0.00 0.00 175.26 176.43 1goc s ILE 7 N 0.13 1.52 -0.03 -1.63 1.01 -0.67 0.11 121.20 121.64 1goc s ILE 7 Ca -0.07 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1goc s ILE 7 Cb -0.15 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1goc s ILE 7 CO 0.05 0.43 -0.08 -0.36 0.00 0.00 0.00 174.94 174.98 1goc s PHE 8 N -0.12 0.92 0.06 3.97 0.08 -0.44 -1.27 117.98 121.17 1goc s PHE 8 Ca -0.01 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 1goc s PHE 8 Cb -0.11 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1goc s PHE 8 CO 0.02 -0.14 -0.04 0.95 -0.10 0.00 0.00 175.22 175.91 1goc s THR 9 N 0.44 0.32 -0.23 0.64 -4.23 -1.00 -1.01 115.64 110.58 1goc s THR 9 Ca -0.07 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.44 1goc s THR 9 Cb -0.11 -1.44 0.07 0.00 1.34 0.00 0.00 72.50 72.36 1goc s THR 9 CO 0.01 -0.92 0.69 -0.62 -0.54 0.00 0.00 174.62 173.23 1goc s ASP 10 N -2.81 -0.71 -0.02 3.99 3.68 0.63 -4.59 116.67 116.85 1goc s ASP 10 Ca 0.06 1.28 -0.07 0.00 2.13 0.00 0.00 52.55 55.95 1goc s ASP 10 Cb 0.06 1.28 0.01 0.00 -1.45 0.00 0.00 42.92 42.81 1goc s ASP 10 CO -0.08 -0.29 0.16 -0.83 0.13 0.00 0.00 175.17 174.26 1goc s GLY 11 N 0.13 -0.02 0.28 2.66 0.00 -1.26 -1.27 107.32 107.83 1goc s GLY 11 Ca -0.02 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 1goc s GLY 11 CO 0.02 -0.02 0.82 -1.35 0.00 0.00 0.00 173.10 172.57 1goc s SER 12 N -0.90 -0.15 0.08 1.64 1.04 -0.51 -4.40 113.70 110.50 1goc s SER 12 Ca -0.10 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.63 1goc s SER 12 Cb -0.05 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1goc s SER 12 CO 0.01 -1.33 -0.09 0.00 0.98 0.00 0.00 173.24 172.82 1goc s LEU 14 N -2.37 6.55 0.00 0.00 1.02 -0.91 -4.76 118.68 118.21 1goc s LEU 14 Ca 0.03 -3.12 0.00 0.00 0.02 0.00 0.00 54.13 51.06 1goc s LEU 14 Cb -0.03 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 43.98 1goc s LEU 14 CO -0.01 -0.44 0.00 0.61 0.02 0.00 0.00 176.35 176.53 1goc n GLY 15 N 3.37 0.42 3.04 -3.19 0.00 -1.26 -4.29 105.19 103.27 1goc n GLY 15 Ca 0.18 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1goc n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1goc s ASN 16 N -0.48 4.37 0.35 1.61 2.47 -1.26 -2.00 114.94 120.00 1goc s ASN 16 Ca 0.00 -1.44 -0.19 0.00 0.42 0.00 0.00 52.86 51.66 1goc s ASN 16 Cb 0.00 -1.49 -0.10 0.00 -1.45 0.00 0.00 41.25 38.22 1goc s ASN 16 CO 0.00 -0.22 0.83 -2.16 -3.72 0.00 0.00 177.10 171.83 1goc s PRO 17 N 1.14 4.16 0.00 0.43 0.04 -1.26 -5.08 135.00 134.43 1goc s PRO 17 Ca -0.06 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1goc s PRO 17 Cb -0.20 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1goc s PRO 17 CO -0.06 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1goc n GLY 18 N -0.29 1.09 3.74 0.56 0.00 -0.75 -4.87 105.19 104.67 1goc n GLY 18 Ca 0.04 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1goc n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1goc n PRO 19 N 0.00 2.29 -4.23 1.61 -0.04 -1.11 -1.14 135.00 132.38 1goc n PRO 19 Ca 0.00 0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 64.13 1goc n PRO 19 Cb 0.00 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 30.86 1goc n PRO 19 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1goc s GLY 20 N -0.32 1.56 0.21 0.55 0.00 0.11 -2.15 107.32 107.29 1goc s GLY 20 Ca 0.57 -1.75 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 1goc s GLY 20 CO 0.61 -1.45 0.59 -0.32 0.00 0.00 0.00 173.10 172.53 1goc s GLY 21 N -3.21 -0.17 0.19 0.20 0.00 0.16 -0.66 107.32 103.84 1goc s GLY 21 Ca 0.39 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 45.00 1goc s GLY 21 CO 0.13 -0.14 -0.02 -2.52 0.00 0.00 0.00 173.10 170.55 1goc s TYR 22 N -3.87 1.37 -0.19 1.90 -0.85 -0.61 -1.43 117.35 113.68 1goc s TYR 22 Ca 0.09 -0.93 -0.10 0.00 -0.52 0.00 0.00 57.07 55.61 1goc s TYR 22 Cb -0.02 -0.77 0.06 0.00 0.38 0.00 0.00 41.96 41.61 1goc s TYR 22 CO -0.01 -0.08 0.45 0.20 -1.52 0.00 0.00 175.55 174.58 1goc s GLY 23 N -3.23 -0.37 0.01 5.49 0.00 -0.40 -3.24 107.32 105.58 1goc s GLY 23 Ca 0.24 1.64 -0.02 0.00 0.00 0.00 0.00 44.72 46.59 1goc s GLY 23 CO 0.05 1.83 0.02 0.00 0.00 0.00 0.00 173.10 175.00 1goc s ALA 24 N 1.52 -0.02 -0.07 3.20 0.00 -0.82 -0.27 121.76 125.30 1goc s ALA 24 Ca -0.09 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1goc s ALA 24 Cb -0.08 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1goc s ALA 24 CO -0.14 -0.13 -0.11 0.42 0.00 0.00 0.00 175.76 175.80 1goc s ILE 25 N -1.07 1.06 -0.14 0.00 1.01 -0.18 -1.73 121.20 120.15 1goc s ILE 25 Ca -0.12 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1goc s ILE 25 Cb -0.07 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1goc s ILE 25 CO -0.00 0.34 -0.09 -0.76 0.00 0.00 0.00 174.94 174.43 1goc s LEU 26 N 0.81 2.97 -0.21 2.97 1.02 -0.39 -1.33 118.68 124.51 1goc s LEU 26 Ca -0.12 -0.23 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 1goc s LEU 26 Cb -0.15 -1.69 0.07 0.00 0.02 0.00 0.00 46.19 44.43 1goc s LEU 26 CO 0.02 0.17 0.05 -0.60 0.02 0.00 0.00 176.35 176.01 1goc s ARG 27 N 0.34 0.63 0.00 1.70 3.52 0.31 -1.94 118.95 123.51 1goc s ARG 27 Ca -0.08 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1goc s ARG 27 Cb -0.15 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 1goc s ARG 27 CO 0.04 -0.69 0.00 2.48 -0.81 0.00 0.00 175.30 176.33 1goc n TYR 28 N 5.04 0.00 -1.90 5.12 0.18 -0.78 0.31 117.16 125.13 1goc n TYR 28 Ca -0.08 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.45 1goc n TYR 28 Cb 0.46 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.35 1goc n TYR 28 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1goc n ARG 29 N 0.00 1.17 0.00 -3.48 1.74 -1.26 -4.10 116.66 110.73 1goc n ARG 29 Ca 0.00 -2.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.84 1goc n ARG 29 Cb 0.00 -3.77 0.00 0.00 -1.02 0.00 0.00 32.46 27.67 1goc n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1goc n GLY 30 N 5.85 0.40 3.93 -0.13 0.00 -1.26 -4.92 105.19 109.06 1goc n GLY 30 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1goc n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1goc s ARG 31 N 0.00 3.47 -0.05 1.61 3.00 -1.26 -5.11 118.95 120.61 1goc s ARG 31 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 55.73 55.25 1goc s ARG 31 Cb 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 34.95 32.02 1goc s ARG 31 CO 0.00 0.53 0.08 -1.83 0.00 0.00 0.00 175.30 174.09 1goc s GLU 32 N -2.91 -0.05 -0.23 3.54 -1.05 -1.26 -1.87 118.70 114.87 1goc s GLU 32 Ca 0.36 0.41 -0.07 0.00 -0.15 0.00 0.00 54.97 55.52 1goc s GLU 32 Cb -0.12 -0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.06 1goc s GLU 32 CO 0.28 -0.33 0.06 0.15 0.95 0.00 0.00 175.26 176.37 1goc s LYS 33 N 2.20 3.70 0.21 -4.83 1.02 -0.82 -4.98 119.74 116.24 1goc s LYS 33 Ca 0.05 -0.47 0.07 0.00 0.02 0.00 0.00 55.97 55.64 1goc s LYS 33 Cb -0.12 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1goc s LYS 33 CO -0.04 -0.08 0.12 0.95 -0.92 0.00 0.00 175.35 175.38 1goc s THR 34 N 1.30 4.20 0.02 2.17 -4.23 -1.26 -1.26 115.64 116.58 1goc s THR 34 Ca 0.05 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1goc s THR 34 Cb -0.15 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.47 1goc s THR 34 CO 0.03 -0.23 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.48 1goc s PHE 35 N -1.96 0.35 -0.24 3.99 0.08 -0.71 -5.00 117.98 114.49 1goc s PHE 35 Ca 0.31 -0.49 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 1goc s PHE 35 Cb -0.09 -0.23 0.13 0.00 -0.57 0.00 0.00 43.02 42.26 1goc s PHE 35 CO 0.23 -0.15 1.05 -1.54 -0.10 0.00 0.00 175.22 174.70 1goc s SER 36 N -1.40 -0.39 -0.05 1.36 1.04 -1.26 -1.95 113.70 111.05 1goc s SER 36 Ca -0.13 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 56.72 1goc s SER 36 Cb -0.09 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1goc s SER 36 CO -0.01 -0.21 0.51 0.00 0.98 0.00 0.00 173.24 174.51 1goc s ALA 37 N -0.25 -1.30 0.03 5.32 0.00 -1.20 -4.99 121.76 119.37 1goc s ALA 37 Ca 0.02 0.92 0.07 0.00 0.00 0.00 0.00 51.96 52.97 1goc s ALA 37 Cb -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1goc s ALA 37 CO -0.04 -0.31 -0.18 0.20 0.00 0.00 0.00 175.76 175.43 1goc s GLY 38 N -1.06 1.54 -0.09 0.00 0.00 -1.26 -1.57 107.32 104.88 1goc s GLY 38 Ca -0.11 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.47 1goc s GLY 38 CO 0.06 -1.05 -0.18 -0.19 0.00 0.00 0.00 173.10 171.74 1goc s TYR 39 N -0.88 2.09 0.29 1.90 1.51 0.16 -1.97 117.35 120.46 1goc s TYR 39 Ca 0.14 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 1goc s TYR 39 Cb -0.10 -1.45 0.53 0.00 -0.11 0.00 0.00 41.96 40.83 1goc s TYR 39 CO 0.04 -0.39 1.88 1.15 -1.11 0.00 0.00 175.55 177.12 1goc h THR 40 N 5.84 1.00 -2.21 -0.71 2.02 -1.59 0.30 112.91 117.57 1goc h THR 40 Ca -0.26 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1goc h THR 40 Cb 1.21 -0.12 -0.23 0.00 -1.74 0.00 0.00 68.15 67.27 1goc h THR 40 CO 0.48 0.19 -0.16 -0.60 0.37 0.00 0.00 175.52 175.79 1goc s ARG 41 N -5.94 0.53 0.00 6.66 3.52 -1.26 -2.75 118.95 119.72 1goc s ARG 41 Ca -0.12 1.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.69 1goc s ARG 41 Cb 0.21 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 34.02 1goc s ARG 41 CO 0.81 -0.19 0.00 -2.37 -0.81 0.00 0.00 175.30 172.74 1goc n THR 42 N 4.94 0.00 -4.26 4.11 5.66 -0.30 -4.38 114.28 120.05 1goc n THR 42 Ca -0.15 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.70 1goc n THR 42 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 1goc n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1goc s THR 43 N -1.96 0.41 0.12 1.09 -4.23 -1.26 -1.80 115.64 108.00 1goc s THR 43 Ca 0.00 -1.99 -0.19 0.00 -1.18 0.00 0.00 61.69 58.33 1goc s THR 43 Cb 0.00 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 1goc s THR 43 CO 0.00 -0.12 1.74 -1.13 -0.54 0.00 0.00 174.62 174.58 1goc h ASN 44 N 2.53 0.30 -0.02 3.99 -1.24 -1.93 -2.32 115.58 116.89 1goc h ASN 44 Ca -0.37 -0.05 0.03 0.00 0.71 0.00 0.00 56.30 56.62 1goc h ASN 44 Cb 1.24 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 40.17 1goc h ASN 44 CO 0.59 0.27 -0.24 0.78 -1.29 0.00 0.00 177.43 177.54 1goc h ASN 45 N 0.31 -0.71 -0.55 1.15 -0.26 -1.97 0.32 115.58 113.87 1goc h ASN 45 Ca 0.09 0.10 0.09 0.00 -0.56 0.00 0.00 56.30 56.02 1goc h ASN 45 Cb 0.02 0.29 -0.07 0.00 -1.06 0.00 0.00 38.32 37.51 1goc h ASN 45 CO -0.02 -0.30 0.17 0.03 -1.06 0.00 0.00 177.43 176.25 1goc h ARG 46 N -0.36 0.32 -0.40 0.81 3.08 -1.93 -0.63 114.38 115.26 1goc h ARG 46 Ca 0.07 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1goc h ARG 46 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1goc h ARG 46 CO -0.23 0.21 -0.17 0.52 -1.07 0.00 0.00 179.97 179.24 1goc h MET 47 N 0.33 0.76 -0.58 0.04 2.86 -1.14 0.03 114.93 117.23 1goc h MET 47 Ca 0.27 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1goc h MET 47 Cb 0.34 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1goc h MET 47 CO -0.31 0.88 0.25 0.93 1.06 0.00 0.00 176.91 179.72 1goc h GLU 48 N 0.67 0.85 0.11 1.72 5.08 0.11 -2.53 114.58 120.60 1goc h GLU 48 Ca 0.10 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1goc h GLU 48 Cb 0.66 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1goc h GLU 48 CO 0.05 0.72 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.65 1goc h LEU 49 N 0.79 -0.13 -1.15 1.33 3.38 -1.18 -3.30 115.31 115.06 1goc h LEU 49 Ca 0.20 -0.30 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1goc h LEU 49 Cb 0.17 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 1goc h LEU 49 CO -0.02 0.24 0.60 -0.03 0.09 0.00 0.00 178.44 179.32 1goc h MET 50 N -0.52 0.79 -0.87 1.13 4.05 -0.94 -1.90 114.93 116.67 1goc h MET 50 Ca -0.02 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1goc h MET 50 Cb 0.42 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1goc h MET 50 CO 0.03 0.52 0.44 0.00 0.23 0.00 0.00 176.91 178.13 1goc h ALA 51 N 1.58 1.14 -0.20 0.39 0.00 -1.52 -1.85 119.26 118.81 1goc h ALA 51 Ca 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1goc h ALA 51 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1goc h ALA 51 CO -0.25 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.64 1goc h ALA 52 N 1.25 0.27 0.68 0.00 0.00 -1.47 -2.80 119.26 117.18 1goc h ALA 52 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1goc h ALA 52 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1goc h ALA 52 CO -0.04 0.02 -0.45 0.82 0.00 0.00 0.00 179.25 179.59 1goc h ILE 53 N 0.10 0.09 -0.89 0.00 2.04 -1.25 -1.95 117.51 115.64 1goc h ILE 53 Ca 0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.05 1goc h ILE 53 Cb 0.45 0.09 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1goc h ILE 53 CO 0.02 0.00 0.50 0.58 0.00 0.00 0.00 178.15 179.24 1goc h VAL 54 N -1.08 0.78 0.80 1.67 2.07 -1.42 0.15 116.25 119.22 1goc h VAL 54 Ca -0.09 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1goc h VAL 54 Cb 0.88 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1goc h VAL 54 CO 0.06 0.13 -0.43 0.00 0.02 0.00 0.00 177.57 177.35 1goc h ALA 55 N 1.55 -1.16 -0.81 1.67 0.00 -1.37 -2.81 119.26 116.33 1goc h ALA 55 Ca 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1goc h ALA 55 Cb 0.62 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1goc h ALA 55 CO -0.33 -1.16 0.40 -0.07 0.00 0.00 0.00 179.25 178.08 1goc h LEU 56 N -1.14 1.06 -0.04 0.00 3.38 -0.99 -2.21 115.31 115.36 1goc h LEU 56 Ca -0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1goc h LEU 56 Cb 0.90 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1goc h LEU 56 CO 0.14 0.89 0.00 -0.62 0.09 0.00 0.00 178.44 178.94 1goc n GLU 57 N -4.35 0.01 0.14 1.13 1.02 0.50 -2.06 120.64 117.03 1goc n GLU 57 Ca 0.08 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 1goc n GLU 57 Cb 0.13 -1.52 0.12 0.00 -0.02 0.00 0.00 31.44 30.15 1goc n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1goc h ALA 58 N 2.40 0.75 -2.40 0.62 0.00 -1.12 -3.45 119.26 116.05 1goc h ALA 58 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1goc h ALA 58 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1goc h ALA 58 CO 0.00 0.00 0.70 -0.51 0.00 0.00 0.00 179.25 179.44 1goc s LEU 59 N -5.48 4.32 0.00 0.00 1.43 -0.87 -4.91 118.68 113.17 1goc s LEU 59 Ca 0.04 2.01 0.23 0.00 -1.03 0.00 0.00 54.13 55.37 1goc s LEU 59 Cb 0.08 -3.57 0.39 0.00 0.03 0.00 0.00 46.19 43.13 1goc s LEU 59 CO 0.72 -0.60 1.37 0.29 0.23 0.00 0.00 176.35 178.36 1goc n LYS 60 N 4.78 2.45 -3.95 1.70 4.76 -1.26 -4.94 118.16 121.71 1goc n LYS 60 Ca 0.11 -2.23 -0.10 0.00 -2.87 0.00 0.00 58.31 53.22 1goc n LYS 60 Cb 0.45 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.03 1goc n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1goc s GLU 61 N -1.50 0.30 -0.23 1.97 1.03 -1.26 -5.10 118.70 113.91 1goc s GLU 61 Ca 0.37 -0.49 -0.32 0.00 0.03 0.00 0.00 54.97 54.56 1goc s GLU 61 Cb 0.22 0.11 -0.09 0.00 -0.80 0.00 0.00 34.13 33.57 1goc s GLU 61 CO 0.31 -0.05 2.12 0.72 -1.33 0.00 0.00 175.26 177.03 1goc n HIS 62 N 1.78 1.93 -4.29 4.83 8.25 -1.26 -4.92 115.22 121.54 1goc n HIS 62 Ca -0.22 0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 1goc n HIS 62 Cb 0.56 -2.64 -0.08 0.00 1.12 0.00 0.00 29.99 28.95 1goc n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1goc s GLU 64 N -3.89 2.92 -0.02 0.00 8.01 -1.26 -1.99 118.70 122.47 1goc s GLU 64 Ca 0.35 -0.96 0.06 0.00 0.01 0.00 0.00 54.97 54.43 1goc s GLU 64 Cb 0.04 -3.30 -0.02 0.00 -4.31 0.00 0.00 34.13 26.54 1goc s GLU 64 CO 0.19 -0.48 -0.20 0.08 0.01 0.00 0.00 175.26 174.85 1goc s VAL 65 N 1.44 2.55 -0.27 2.63 1.01 0.27 -1.73 120.40 126.29 1goc s VAL 65 Ca 0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1goc s VAL 65 Cb -0.18 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1goc s VAL 65 CO 0.01 0.54 -0.02 -0.51 0.00 0.00 0.00 175.10 175.12 1goc s ILE 66 N -0.71 3.12 -0.28 2.22 1.10 -1.05 -0.39 121.20 125.20 1goc s ILE 66 Ca 0.11 -1.02 -0.05 0.00 -0.51 0.00 0.00 60.65 59.18 1goc s ILE 66 Cb -0.10 -2.63 0.02 0.00 0.15 0.00 0.00 42.46 39.90 1goc s ILE 66 CO 0.01 0.12 0.03 -0.22 -2.11 0.00 0.00 174.94 172.76 1goc s LEU 67 N 1.35 3.64 -0.26 8.50 0.20 0.23 -1.67 118.68 130.67 1goc s LEU 67 Ca -0.00 -0.81 -0.10 0.00 0.69 0.00 0.00 54.13 53.91 1goc s LEU 67 Cb -0.17 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1goc s LEU 67 CO -0.02 -0.18 0.15 -0.44 -0.29 0.00 0.00 176.35 175.57 1goc s SER 68 N 1.42 5.84 -0.03 3.68 0.01 -0.40 -0.73 113.70 123.49 1goc s SER 68 Ca 0.01 -0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.08 1goc s SER 68 Cb -0.17 -2.06 0.04 0.00 0.21 0.00 0.00 66.02 64.03 1goc s SER 68 CO -0.00 0.00 0.40 0.28 0.41 0.00 0.00 173.24 174.33 1goc s THR 69 N 1.44 0.04 -1.82 1.44 -1.32 -0.50 -2.37 115.64 112.54 1goc s THR 69 Ca 0.07 -0.33 0.17 0.00 -1.21 0.00 0.00 61.69 60.38 1goc s THR 69 Cb -0.15 -0.70 0.52 0.00 -1.51 0.00 0.00 72.50 70.65 1goc s THR 69 CO 0.07 -0.18 1.42 -0.90 -2.21 0.00 0.00 174.62 172.82 1goc n ASP 70 N 1.31 3.22 -4.65 8.08 5.75 -1.26 -1.29 116.55 127.70 1goc n ASP 70 Ca -0.20 -2.08 -0.43 0.00 -0.01 0.00 0.00 54.79 52.07 1goc n ASP 70 Cb 0.56 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1goc n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1goc s SER 71 N -0.95 6.90 0.18 -1.12 0.15 -1.26 -4.88 113.70 112.72 1goc s SER 71 Ca 0.38 1.57 -0.08 0.00 0.70 0.00 0.00 55.95 58.53 1goc s SER 71 Cb 0.21 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 62.06 1goc s SER 71 CO 0.24 -0.82 1.58 -0.61 1.20 0.00 0.00 173.24 174.84 1goc h GLN 72 N 8.35 0.92 -0.20 5.44 4.15 -1.96 -1.97 115.11 129.84 1goc h GLN 72 Ca -0.26 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 58.77 1goc h GLN 72 Cb 1.10 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1goc h GLN 72 CO 0.98 1.04 0.11 -0.92 -1.93 0.00 0.00 178.83 178.11 1goc h TYR 73 N 0.79 0.28 -0.12 3.99 3.20 -1.97 -0.87 116.97 122.27 1goc h TYR 73 Ca 0.10 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.77 1goc h TYR 73 Cb 0.78 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1goc h TYR 73 CO 0.05 0.26 -0.73 0.28 -1.64 0.00 0.00 178.16 176.37 1goc h VAL 74 N 0.22 1.33 -0.12 1.81 2.07 -1.94 -3.06 116.25 116.56 1goc h VAL 74 Ca 0.07 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1goc h VAL 74 Cb 0.07 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1goc h VAL 74 CO -0.01 0.63 0.07 -0.09 0.02 0.00 0.00 177.57 178.19 1goc h ARG 75 N 0.41 0.15 -0.30 1.57 2.43 -1.24 -0.19 114.38 117.21 1goc h ARG 75 Ca -0.04 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1goc h ARG 75 Cb 1.33 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.78 1goc h ARG 75 CO 0.14 0.10 -0.47 1.96 -1.51 0.00 0.00 179.97 180.19 1goc h GLN 76 N 0.15 -0.35 -0.11 0.20 4.20 -1.22 -0.40 115.11 117.59 1goc h GLN 76 Ca 0.04 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1goc h GLN 76 Cb -0.01 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1goc h GLN 76 CO -0.01 -0.23 -0.04 0.00 -0.67 0.00 0.00 178.83 177.88 1goc h ALA 77 N -0.29 0.06 0.27 3.87 0.00 -1.42 -1.70 119.26 120.06 1goc h ALA 77 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1goc h ALA 77 Cb 0.51 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1goc h ALA 77 CO -0.48 -0.50 -0.13 0.82 0.00 0.00 0.00 179.25 178.96 1goc h ILE 78 N -0.02 0.00 -1.06 0.00 1.08 -0.85 0.16 117.51 116.81 1goc h ILE 78 Ca 0.06 -0.08 0.29 0.00 -0.39 0.00 0.00 64.86 64.73 1goc h ILE 78 Cb 0.10 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.78 1goc h ILE 78 CO -0.12 0.00 0.72 0.71 -0.69 0.00 0.00 178.15 178.77 1goc h THR 79 N -0.45 0.49 -0.10 -0.27 1.35 -1.19 -0.66 112.91 112.08 1goc h THR 79 Ca -0.04 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1goc h THR 79 Cb 0.28 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1goc h THR 79 CO 0.06 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 1goc n GLN 80 N -4.45 1.97 -2.80 4.72 6.02 -0.64 -4.93 117.38 117.27 1goc n GLN 80 Ca 0.24 -1.42 -0.17 0.00 -0.01 0.00 0.00 57.00 55.64 1goc n GLN 80 Cb 1.00 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.82 1goc n GLN 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1goc n GLY 80 N 1.26 -0.25 0.27 1.08 0.00 -0.25 -4.93 105.19 102.36 1goc n GLY 80 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1goc n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1goc h TRP 81 N -0.99 0.68 -0.89 1.61 6.55 -1.21 -2.63 115.95 119.07 1goc h TRP 81 Ca -0.41 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 59.31 1goc h TRP 81 Cb 1.28 -0.18 -0.04 0.00 -0.86 0.00 0.00 29.16 29.36 1goc h TRP 81 CO 0.41 0.71 0.52 0.82 -1.05 0.00 0.00 178.44 179.84 1goc h ILE 82 N 0.58 1.25 -0.31 1.49 2.04 -1.92 -1.31 117.51 119.32 1goc h ILE 82 Ca 0.11 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 1goc h ILE 82 Cb 0.52 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1goc h ILE 82 CO 0.03 0.27 -0.14 0.45 0.00 0.00 0.00 178.15 178.76 1goc h HIS 83 N 1.24 0.59 0.70 1.37 3.86 -1.86 -1.46 115.15 119.58 1goc h HIS 83 Ca 0.32 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1goc h HIS 83 Cb -0.03 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.30 1goc h HIS 83 CO 0.01 0.67 -0.34 -0.91 0.86 0.00 0.00 177.93 178.22 1goc h ASN 84 N 0.50 -0.79 -0.70 2.45 4.21 -1.04 -3.09 115.58 117.12 1goc h ASN 84 Ca 0.09 0.03 0.15 0.00 1.21 0.00 0.00 56.30 57.78 1goc h ASN 84 Cb 0.54 0.21 -0.11 0.00 -1.12 0.00 0.00 38.32 37.84 1goc h ASN 84 CO 0.03 -0.53 0.13 -0.50 -1.29 0.00 0.00 177.43 175.28 1goc h TRP 85 N -1.02 0.19 -0.86 1.19 6.55 -1.27 -2.03 115.95 118.70 1goc h TRP 85 Ca -0.10 0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.79 1goc h TRP 85 Cb 0.72 0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 29.00 1goc h TRP 85 CO 0.05 -0.10 0.56 -0.22 -1.05 0.00 0.00 178.44 177.68 1goc h LYS 86 N 0.23 1.14 0.00 0.49 3.64 -1.34 1.43 116.57 122.15 1goc h LYS 86 Ca 0.39 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1goc h LYS 86 Cb 0.65 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1goc h LYS 86 CO -0.51 0.76 -0.36 0.87 -2.27 0.00 0.00 179.45 177.94 1goc h LYS 87 N 1.17 0.00 -0.57 1.90 1.57 -1.28 -2.60 116.57 116.76 1goc h LYS 87 Ca 0.31 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 1goc h LYS 87 Cb -0.12 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.08 1goc h LYS 87 CO -0.07 0.36 0.17 0.54 -0.57 0.00 0.00 179.45 179.88 1goc n ARG 88 N -3.83 3.03 -2.55 3.15 1.74 -0.97 -4.94 116.66 112.29 1goc n ARG 88 Ca -0.01 -3.05 -0.15 0.00 -0.77 0.00 0.00 57.85 53.86 1goc n ARG 88 Cb 0.43 -2.05 0.01 0.00 -1.02 0.00 0.00 32.46 29.84 1goc n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1goc n GLY 89 N -0.53 -0.18 3.21 -0.13 0.00 -0.86 -3.43 105.19 103.27 1goc n GLY 89 Ca 0.36 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1goc n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1goc n TRP 90 N -4.07 -2.35 -4.11 1.61 7.02 0.48 -4.99 117.44 111.04 1goc n TRP 90 Ca -0.12 0.84 -0.12 0.00 -1.02 0.00 0.00 57.50 57.07 1goc n TRP 90 Cb 0.61 -4.35 -0.11 0.00 -2.42 0.00 0.00 31.31 25.03 1goc n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1goc s LYS 91 N -6.01 0.67 0.29 -0.99 1.02 -1.22 -2.03 119.74 111.46 1goc s LYS 91 Ca 0.45 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1goc s LYS 91 Cb -0.20 -0.30 0.06 0.00 -0.52 0.00 0.00 37.83 36.87 1goc s LYS 91 CO 0.60 0.03 0.40 0.25 -0.92 0.00 0.00 175.35 175.72 1goc n THR 92 N 0.87 0.00 -0.23 2.17 -2.24 0.53 -4.84 114.28 110.54 1goc n THR 92 Ca -0.19 -0.66 -0.06 0.00 -2.27 0.00 0.00 64.05 60.87 1goc n THR 92 Cb 0.57 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.64 1goc n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1goc h ALA 93 N -0.43 -0.18 -0.02 6.98 0.00 -2.01 0.23 119.26 123.83 1goc h ALA 93 Ca -0.13 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1goc h ALA 93 Cb 0.50 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1goc h ALA 93 CO 0.15 -0.75 0.34 0.22 0.00 0.00 0.00 179.25 179.20 1goc h ASP 94 N -0.17 0.00 -0.19 0.00 3.58 -2.02 -3.45 116.42 114.17 1goc h ASP 94 Ca 0.22 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 1goc h ASP 94 Cb 0.56 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1goc h ASP 94 CO -0.73 0.00 -0.07 0.29 -2.88 0.00 0.00 179.24 175.85 1goc n LYS 95 N -2.94 -0.43 -3.33 0.28 4.76 0.82 -5.02 118.16 112.30 1goc n LYS 95 Ca -0.01 0.53 -0.32 0.00 -2.87 0.00 0.00 58.31 55.63 1goc n LYS 95 Cb 0.39 -4.16 -0.05 0.00 -1.84 0.00 0.00 35.03 29.36 1goc n LYS 95 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1goc s LYS 96 N -1.89 3.85 0.43 1.97 2.20 -1.25 -4.77 119.74 120.27 1goc s LYS 96 Ca 0.00 0.37 -0.25 0.00 -0.36 0.00 0.00 55.97 55.73 1goc s LYS 96 Cb 0.00 -2.59 -0.08 0.00 -1.51 0.00 0.00 37.83 33.65 1goc s LYS 96 CO 0.00 0.27 1.28 -2.14 -0.36 0.00 0.00 175.35 174.40 1goc s PRO 97 N -2.90 3.85 0.52 4.03 0.02 -1.26 -0.35 135.00 138.91 1goc s PRO 97 Ca 0.49 2.10 -0.22 0.00 0.02 0.00 0.00 61.00 63.39 1goc s PRO 97 Cb -0.11 -2.65 -0.06 0.00 0.02 0.00 0.00 34.50 31.71 1goc s PRO 97 CO 0.21 -0.57 1.29 0.08 -0.33 0.00 0.00 177.00 177.67 1goc s VAL 98 N -1.31 2.45 0.31 3.83 1.01 -0.86 -4.73 120.40 121.10 1goc s VAL 98 Ca 0.59 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1goc s VAL 98 Cb -0.37 -3.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 1goc s VAL 98 CO 0.46 -0.01 1.56 1.17 0.00 0.00 0.00 175.10 178.28 1goc n LYS 99 N -0.86 2.66 -2.10 2.72 4.81 -1.26 -1.51 118.16 122.63 1goc n LYS 99 Ca 0.09 0.94 -0.19 0.00 -0.87 0.00 0.00 58.31 58.29 1goc n LYS 99 Cb 0.46 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.77 1goc n LYS 99 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1goc n ASN 100 N 1.72 -5.21 -0.31 3.14 3.02 -1.26 -4.83 115.26 111.53 1goc n ASN 100 Ca 0.07 0.19 0.27 0.00 -0.03 0.00 0.00 54.58 55.08 1goc n ASN 100 Cb 0.37 -4.46 0.61 0.00 -0.61 0.00 0.00 39.78 35.69 1goc n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1goc h VAL 101 N 0.00 0.49 -0.66 2.41 3.04 -1.64 0.88 116.25 120.77 1goc h VAL 101 Ca -0.42 -0.08 0.06 0.00 -1.01 0.00 0.00 66.70 65.25 1goc h VAL 101 Cb 1.29 0.24 -0.06 0.00 -2.01 0.00 0.00 31.29 30.75 1goc h VAL 101 CO 0.54 0.04 0.36 -2.24 -1.01 0.00 0.00 177.57 175.25 1goc h ASP 102 N 0.23 0.52 0.41 3.17 2.03 -1.88 -1.82 116.42 119.07 1goc h ASP 102 Ca 0.57 0.03 -0.26 0.00 -0.73 0.00 0.00 57.03 56.64 1goc h ASP 102 Cb 1.77 -0.06 0.01 0.00 -0.83 0.00 0.00 39.33 40.21 1goc h ASP 102 CO -0.18 0.33 -1.14 -0.07 -1.03 0.00 0.00 179.24 177.15 1goc h LEU 103 N 0.65 0.57 -0.61 0.15 3.38 -1.22 -3.16 115.31 115.07 1goc h LEU 103 Ca 0.30 -0.53 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1goc h LEU 103 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1goc h LEU 103 CO -0.19 1.37 -0.18 -0.50 0.09 0.00 0.00 178.44 179.03 1goc h TRP 104 N 0.17 1.02 -0.16 1.13 -0.00 -1.26 -1.27 115.95 115.58 1goc h TRP 104 Ca -0.13 -0.23 0.03 0.00 -0.00 0.00 0.00 58.89 58.56 1goc h TRP 104 Cb 1.82 -0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 30.71 1goc h TRP 104 CO 0.08 1.01 -0.02 1.96 -0.00 0.00 0.00 178.44 181.46 1goc h GLN 105 N 0.79 0.03 -0.16 0.49 4.20 -1.42 0.13 115.11 119.17 1goc h GLN 105 Ca 0.11 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.86 1goc h GLN 105 Cb 0.73 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1goc h GLN 105 CO 0.06 0.02 -0.09 0.00 -0.67 0.00 0.00 178.83 178.14 1goc h ARG 106 N 0.03 -0.08 0.18 1.46 3.08 -1.46 0.88 114.38 118.46 1goc h ARG 106 Ca 0.08 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1goc h ARG 106 Cb 0.10 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1goc h ARG 106 CO -0.14 -0.05 -0.09 1.25 -1.07 0.00 0.00 179.97 179.86 1goc h LEU 107 N -0.08 -0.21 -0.70 3.04 5.85 -1.09 -2.31 115.31 119.81 1goc h LEU 107 Ca 0.09 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1goc h LEU 107 Cb 0.22 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1goc h LEU 107 CO -0.22 -0.06 0.30 -0.78 -0.34 0.00 0.00 178.44 177.34 1goc h ASP 108 N -0.33 0.32 -0.95 1.25 1.82 -0.41 0.50 116.42 118.61 1goc h ASP 108 Ca -0.02 0.08 0.10 0.00 -0.39 0.00 0.00 57.03 56.80 1goc h ASP 108 Cb 0.26 0.05 -0.07 0.00 0.68 0.00 0.00 39.33 40.24 1goc h ASP 108 CO 0.04 0.16 0.61 0.00 -1.61 0.00 0.00 179.24 178.44 1goc h ALA 109 N 1.47 1.58 -0.00 -0.78 0.00 -0.59 -1.80 119.26 119.14 1goc h ALA 109 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 1goc h ALA 109 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1goc h ALA 109 CO -0.33 0.22 -0.82 0.00 0.00 0.00 0.00 179.25 178.31 1goc h ALA 110 N 1.54 0.62 -0.78 0.00 0.00 -0.57 -3.23 119.26 116.84 1goc h ALA 110 Ca 0.45 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1goc h ALA 110 Cb 0.43 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1goc h ALA 110 CO -0.21 0.95 0.38 -0.07 0.00 0.00 0.00 179.25 180.30 1goc h LEU 111 N 0.05 1.03 -0.06 0.00 4.07 -0.15 -2.95 115.31 117.29 1goc h LEU 111 Ca -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1goc h LEU 111 Cb 1.44 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1goc h LEU 111 CO 0.12 0.87 0.00 0.61 -1.08 0.00 0.00 178.44 178.96 1goc n GLY 112 N -0.99 -0.83 0.03 0.83 0.00 -0.83 -3.19 105.19 100.22 1goc n GLY 112 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1goc n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1goc n GLN 113 N -1.54 0.88 -4.48 1.61 1.13 -1.12 -5.03 117.38 108.83 1goc n GLN 113 Ca 0.02 -0.09 -0.26 0.00 -1.94 0.00 0.00 57.00 54.73 1goc n GLN 113 Cb 0.11 -1.34 -0.10 0.00 0.11 0.00 0.00 30.24 29.01 1goc n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1goc s HIS 114 N -2.79 2.47 -0.33 1.08 3.76 -1.19 -4.54 115.29 113.76 1goc s HIS 114 Ca -0.06 -0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 54.27 1goc s HIS 114 Cb 0.08 -1.49 0.03 0.00 1.11 0.00 0.00 32.58 32.30 1goc s HIS 114 CO 0.58 0.52 0.10 -1.14 -0.85 0.00 0.00 174.74 173.96 1goc s GLN 115 N -3.67 2.79 0.17 1.40 0.74 -0.84 -4.88 119.66 115.38 1goc s GLN 115 Ca 0.34 -1.06 0.11 0.00 0.05 0.00 0.00 55.36 54.79 1goc s GLN 115 Cb 0.03 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1goc s GLN 115 CO 0.18 -0.59 -0.22 -1.50 -0.55 0.00 0.00 175.29 172.60 1goc s ILE 116 N 1.45 2.50 -0.11 -2.34 2.07 -1.26 0.95 121.20 124.46 1goc s ILE 116 Ca 0.00 -1.86 -0.01 0.00 -1.41 0.00 0.00 60.65 57.37 1goc s ILE 116 Cb -0.19 -2.18 0.03 0.00 0.13 0.00 0.00 42.46 40.25 1goc s ILE 116 CO 0.03 -0.05 -0.03 -0.75 -1.91 0.00 0.00 174.94 172.24 1goc s LYS 117 N -2.50 1.03 0.13 3.50 2.20 0.47 -4.96 119.74 119.61 1goc s LYS 117 Ca 0.20 -0.16 -0.23 0.00 -0.36 0.00 0.00 55.97 55.41 1goc s LYS 117 Cb -0.09 -1.46 -0.07 0.00 -1.51 0.00 0.00 37.83 34.70 1goc s LYS 117 CO 0.10 -0.35 0.70 -1.58 -0.36 0.00 0.00 175.35 173.86 1goc s TRP 118 N 1.82 3.87 -0.23 4.03 0.52 -1.26 0.74 118.94 128.43 1goc s TRP 118 Ca 0.04 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.65 1goc s TRP 118 Cb -0.13 -2.67 0.07 0.00 -1.15 0.00 0.00 33.47 29.58 1goc s TRP 118 CO -0.07 0.54 0.01 -2.00 0.02 0.00 0.00 176.95 175.45 1goc s GLU 119 N -1.12 1.05 -0.29 4.98 2.12 0.10 -4.87 118.70 120.66 1goc s GLU 119 Ca 0.33 -0.79 -0.23 0.00 0.36 0.00 0.00 54.97 54.65 1goc s GLU 119 Cb -0.22 -2.30 -0.00 0.00 0.26 0.00 0.00 34.13 31.87 1goc s GLU 119 CO 0.24 -0.69 0.76 -1.58 -0.54 0.00 0.00 175.26 173.44 1goc s TRP 120 N 1.62 3.23 0.08 5.30 0.52 -1.26 -1.41 118.94 127.02 1goc s TRP 120 Ca -0.01 0.83 0.02 0.00 0.02 0.00 0.00 56.10 56.97 1goc s TRP 120 Cb -0.18 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 28.97 1goc s TRP 120 CO -0.10 -0.51 0.14 0.14 0.02 0.00 0.00 176.95 176.64 1goc s VAL 121 N 2.86 4.88 -0.13 4.03 -7.23 -0.41 -4.95 120.40 119.45 1goc s VAL 121 Ca 0.31 -0.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.84 1goc s VAL 121 Cb -0.14 -3.38 0.02 0.00 0.56 0.00 0.00 36.38 33.43 1goc s VAL 121 CO 0.11 0.10 -0.15 -0.75 -0.31 0.00 0.00 175.10 174.11 1goc s LYS 122 N -2.53 2.26 0.59 4.82 2.20 -1.26 -4.02 119.74 121.80 1goc s LYS 122 Ca 0.32 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1goc s LYS 122 Cb -0.12 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 1goc s LYS 122 CO 0.25 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1goc n GLY 123 N 4.49 -4.43 0.00 5.54 0.00 -1.26 -4.70 105.19 104.84 1goc n GLY 123 Ca -0.18 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.17 1goc n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1goc n HIS 124 N -1.77 0.02 -2.01 1.61 8.25 -1.26 -4.69 115.22 115.37 1goc n HIS 124 Ca 0.00 0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1goc n HIS 124 Cb 0.25 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 1goc n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1goc s ALA 125 N -3.01 3.50 0.00 -1.41 0.00 -1.26 -1.10 121.76 118.48 1goc s ALA 125 Ca 0.06 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1goc s ALA 125 Cb 0.09 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1goc s ALA 125 CO 0.25 -1.59 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1goc n GLY 126 N 4.33 0.56 2.28 0.00 0.00 -1.26 -4.96 105.19 106.13 1goc n GLY 126 Ca 0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1goc n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1goc n HIS 127 N -2.89 0.83 -0.10 1.61 -0.00 -0.26 -5.01 115.22 109.41 1goc n HIS 127 Ca 0.00 -3.75 -0.06 0.00 -0.00 0.00 0.00 57.72 53.91 1goc n HIS 127 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 29.99 29.58 1goc n HIS 127 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1goc h PRO 128 N 3.88 -0.15 -0.26 -0.41 0.11 -1.94 -2.31 132.00 130.92 1goc h PRO 128 Ca 0.11 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1goc h PRO 128 Cb 0.82 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1goc h PRO 128 CO 0.57 -0.10 0.16 0.93 -0.21 0.00 0.00 178.00 179.35 1goc h GLU 129 N -0.16 0.34 -0.06 1.05 3.07 -1.94 -1.83 114.58 115.05 1goc h GLU 129 Ca 0.18 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.83 1goc h GLU 129 Cb 0.44 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1goc h GLU 129 CO -0.46 0.24 -0.69 -0.91 -1.40 0.00 0.00 179.01 175.78 1goc h ASN 130 N 0.35 0.72 -0.37 1.42 4.21 -1.82 -1.96 115.58 118.12 1goc h ASN 130 Ca 0.09 -0.69 0.07 0.00 1.21 0.00 0.00 56.30 56.98 1goc h ASN 130 Cb -0.03 -0.21 -0.07 0.00 -1.12 0.00 0.00 38.32 36.89 1goc h ASN 130 CO -0.02 1.30 -0.04 -0.08 -1.29 0.00 0.00 177.43 177.30 1goc h GLU 131 N 0.19 0.05 -0.45 0.81 4.81 -1.08 -0.41 114.58 118.50 1goc h GLU 131 Ca -0.07 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1goc h GLU 131 Cb 1.35 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 1goc h GLU 131 CO 0.14 0.03 0.23 -0.09 -0.73 0.00 0.00 179.01 178.60 1goc h ARG 132 N 0.05 0.45 -1.00 1.92 2.43 -1.30 -1.51 114.38 115.42 1goc h ARG 132 Ca 0.18 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.44 1goc h ARG 132 Cb 0.27 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 1goc h ARG 132 CO -0.34 0.30 0.63 0.00 -1.51 0.00 0.00 179.97 179.05 1goc h ASP 134 N 1.02 -0.04 -0.70 0.00 3.58 -0.02 -1.35 116.42 118.91 1goc h ASP 134 Ca 0.49 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.99 1goc h ASP 134 Cb 0.46 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 1goc h ASP 134 CO -0.26 0.00 0.44 -0.33 -2.88 0.00 0.00 179.24 176.22 1goc h GLU 135 N 0.05 0.85 -0.37 0.28 4.39 -1.19 -1.30 114.58 117.30 1goc h GLU 135 Ca 0.06 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1goc h GLU 135 Cb 0.07 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1goc h GLU 135 CO -0.10 0.56 0.15 -0.07 -1.16 0.00 0.00 179.01 178.39 1goc h LEU 136 N 0.88 0.50 -0.04 1.33 3.38 -0.81 -1.40 115.31 119.15 1goc h LEU 136 Ca 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1goc h LEU 136 Cb -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1goc h LEU 136 CO -0.10 0.52 0.02 0.00 0.09 0.00 0.00 178.44 178.97 1goc h ALA 137 N 1.00 0.05 -0.04 1.53 0.00 -0.91 -0.37 119.26 120.53 1goc h ALA 137 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1goc h ALA 137 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1goc h ALA 137 CO -0.01 -0.41 -0.35 0.00 0.00 0.00 0.00 179.25 178.48 1goc h ARG 138 N -0.03 0.07 -0.04 0.00 3.08 -1.18 -1.95 114.38 114.33 1goc h ARG 138 Ca 0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1goc h ARG 138 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1goc h ARG 138 CO -0.00 0.41 -0.08 0.00 -1.07 0.00 0.00 179.97 179.23 1goc h ALA 139 N 1.59 0.06 -0.11 0.04 0.00 -1.06 -3.16 119.26 116.63 1goc h ALA 139 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1goc h ALA 139 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1goc h ALA 139 CO 0.05 -0.08 -0.36 0.00 0.00 0.00 0.00 179.25 178.85 1goc h ALA 140 N 0.46 1.19 -0.04 0.00 0.00 -0.98 -2.96 119.26 116.92 1goc h ALA 140 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1goc h ALA 140 Cb 0.66 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1goc h ALA 140 CO 0.02 0.55 0.06 0.00 0.00 0.00 0.00 179.25 179.88 1goc h ALA 141 N 1.43 1.40 0.00 0.00 0.00 -1.32 -2.07 119.26 118.71 1goc h ALA 141 Ca 0.02 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1goc h ALA 141 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1goc h ALA 141 CO 0.06 -0.08 -1.21 0.52 0.00 0.00 0.00 179.25 178.53 1goc h MET 142 N 0.00 0.00 -2.13 0.00 2.86 -1.53 -3.39 114.93 110.74 1goc h MET 142 Ca 0.02 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.07 1goc h MET 142 Cb 0.15 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.40 1goc h MET 142 CO -0.00 0.78 -0.77 0.09 1.06 0.00 0.00 176.91 178.06 1goc n ASN 143 N -3.23 2.57 -4.78 1.22 4.13 -0.79 -5.10 115.26 109.29 1goc n ASN 143 Ca -0.06 -3.20 -0.36 0.00 1.68 0.00 0.00 54.58 52.64 1goc n ASN 143 Cb 0.96 -0.66 -0.02 0.00 -1.54 0.00 0.00 39.78 38.53 1goc n ASN 143 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1goc s PRO 144 N -2.10 3.76 0.00 3.52 0.04 -1.17 -4.63 135.00 134.42 1goc s PRO 144 Ca 0.39 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1goc s PRO 144 Cb 0.17 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1goc s PRO 144 CO -0.05 -0.51 0.46 0.25 0.04 0.00 0.00 177.00 177.19 1goc n THR 145 N -0.70 0.00 -4.15 1.26 -2.24 -0.94 -4.87 114.28 102.64 1goc n THR 145 Ca 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1goc n THR 145 Cb 0.50 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.45 1goc n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1goc s LEU 146 N 0.00 2.36 -0.12 3.22 1.02 -0.83 -5.03 118.68 119.30 1goc s LEU 146 Ca 0.00 -0.74 -0.05 0.00 0.02 0.00 0.00 54.13 53.36 1goc s LEU 146 Cb 0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 46.19 45.88 1goc s LEU 146 CO 0.00 -0.23 0.09 -1.61 0.02 0.00 0.00 176.35 174.61 1goc s GLU 147 N -2.43 3.38 -1.03 1.70 8.01 -1.26 -1.64 118.70 125.43 1goc s GLU 147 Ca 0.01 -0.25 -0.12 0.00 0.01 0.00 0.00 54.97 54.62 1goc s GLU 147 Cb -0.05 -3.07 0.23 0.00 -4.31 0.00 0.00 34.13 26.92 1goc s GLU 147 CO 0.00 0.68 1.07 0.34 0.01 0.00 0.00 175.26 177.37 1goc s ASP 148 N -0.78 7.04 0.59 -0.19 3.68 -1.26 -4.90 116.67 120.85 1goc s ASP 148 Ca 0.13 -3.05 0.29 0.00 2.13 0.00 0.00 52.55 52.04 1goc s ASP 148 Cb -0.12 -2.27 1.72 0.00 -1.45 0.00 0.00 42.92 40.80 1goc s ASP 148 CO 0.03 -0.54 2.17 0.71 0.13 0.00 0.00 175.17 177.66 1goc h THR 149 N 4.41 0.51 0.00 1.71 1.35 -1.95 -0.04 112.91 118.89 1goc h THR 149 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1goc h THR 149 Cb 0.94 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1goc h THR 149 CO 0.99 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 1goc n GLY 150 N -1.37 -1.65 3.66 5.82 0.00 -1.26 -4.78 105.19 105.60 1goc n GLY 150 Ca -0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1goc n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1goc s TYR 151 N -3.11 2.60 -0.22 1.61 6.14 -0.03 -4.98 117.35 119.37 1goc s TYR 151 Ca 0.10 0.77 0.02 0.00 0.64 0.00 0.00 57.07 58.61 1goc s TYR 151 Cb 0.13 -3.62 0.04 0.00 0.42 0.00 0.00 41.96 38.92 1goc s TYR 151 CO 0.57 -2.33 -0.15 -0.65 0.64 0.00 0.00 175.55 173.63 1goc s GLN 152 N 3.60 2.57 0.00 4.97 -1.52 -1.26 -5.03 119.66 122.98 1goc s GLN 152 Ca 0.60 -1.11 0.00 0.00 -1.95 0.00 0.00 55.36 52.90 1goc s GLN 152 Cb -0.25 -2.74 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 1goc s GLN 152 CO 0.19 -0.41 0.22 0.28 -0.25 0.00 0.00 175.29 175.33 1goc n VAL 153 N 4.52 0.00 0.00 1.09 0.31 -1.26 -4.17 118.33 118.82 1goc n VAL 153 Ca -0.17 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 1goc n VAL 153 Cb 0.46 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1goc n VAL 153 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1goc n GLU 154 N -0.32 0.00 0.00 5.55 4.07 -1.26 -5.23 120.64 123.45 1goc n GLU 154 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 1goc n GLU 154 Cb 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.42 1goc n GLU 154 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35