#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis n SER 2 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.16 113.62 111.70 1wis n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wis n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wis n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wis n SER 3 N 0.00 0.00 0.00 -3.46 3.41 -1.26 -5.16 113.62 107.15 1wis n SER 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wis n SER 3 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wis n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wis n GLY 4 N 0.00 3.33 3.24 5.00 0.00 -1.26 -5.14 105.19 110.36 1wis n GLY 4 Ca 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 1wis n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wis s SER 5 N 0.00 1.75 -0.01 1.61 1.04 -1.26 -5.16 113.70 111.67 1wis s SER 5 Ca 0.00 -1.01 0.06 0.00 0.48 0.00 0.00 55.95 55.48 1wis s SER 5 Cb 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1wis s SER 5 CO 0.00 -0.34 -0.20 -0.94 0.98 0.00 0.00 173.24 172.74 1wis s SER 6 N -3.16 3.56 -0.33 7.02 1.04 -1.26 -5.09 113.70 115.48 1wis s SER 6 Ca 0.16 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1wis s SER 6 Cb 0.03 -0.57 0.14 0.00 0.10 0.00 0.00 66.02 65.71 1wis s SER 6 CO 0.00 0.31 0.27 -0.83 0.98 0.00 0.00 173.24 173.97 1wis s GLY 7 N -0.86 0.31 -0.15 7.32 0.00 -1.26 -5.12 107.32 107.56 1wis s GLY 7 Ca 0.12 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1wis s GLY 7 CO 0.01 2.41 1.03 -1.08 0.00 0.00 0.00 173.10 175.47 1wis s THR 8 N 1.63 0.00 -0.60 0.90 -1.32 -1.26 -5.04 115.64 109.95 1wis s THR 8 Ca 0.14 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.67 1wis s THR 8 Cb -0.17 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.00 1wis s THR 8 CO -0.14 0.00 0.50 2.30 -2.21 0.00 0.00 174.62 175.07 1wis n ILE 9 N 0.47 0.91 -2.96 5.08 -5.35 -1.26 -4.91 119.36 111.34 1wis n ILE 9 Ca -0.08 -4.52 -0.08 0.00 -0.27 0.00 0.00 62.75 57.80 1wis n ILE 9 Cb 0.59 -2.03 0.01 0.00 -1.74 0.00 0.00 39.64 36.47 1wis n ILE 9 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1wis n SER 10 N 1.94 -7.73 -1.37 7.28 7.64 -1.26 -4.77 113.62 115.34 1wis n SER 10 Ca 0.24 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1wis n SER 10 Cb 0.40 -5.10 0.00 0.00 -1.01 0.00 0.00 64.21 58.50 1wis n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wis n SER 11 N -0.71 -7.56 0.00 6.43 7.64 -1.26 -5.10 113.62 113.06 1wis n SER 11 Ca 0.07 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1wis n SER 11 Cb 0.49 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 1wis n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wis n GLY 12 N -0.96 2.01 2.74 0.23 0.00 -1.26 -5.08 105.19 102.87 1wis n GLY 12 Ca 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 1wis n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wis s VAL 13 N -2.00 -0.11 0.44 1.61 0.11 -1.26 -5.03 120.40 114.16 1wis s VAL 13 Ca 0.00 0.33 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 1wis s VAL 13 Cb 0.00 -0.15 -0.09 0.00 -1.53 0.00 0.00 36.38 34.61 1wis s VAL 13 CO 0.00 0.14 1.05 -2.16 -3.33 0.00 0.00 175.10 170.79 1wis s PRO 14 N 1.74 4.01 0.66 1.54 0.04 -1.26 -5.03 135.00 136.70 1wis s PRO 14 Ca -0.01 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.36 1wis s PRO 14 Cb -0.12 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1wis s PRO 14 CO -0.04 -0.27 1.06 -1.25 0.04 0.00 0.00 177.00 176.54 1wis s PRO 15 N -2.81 3.10 0.55 0.56 0.04 -1.26 -5.08 135.00 130.10 1wis s PRO 15 Ca 0.62 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1wis s PRO 15 Cb -0.20 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1wis s PRO 15 CO 0.24 -0.97 0.29 -1.21 0.04 0.00 0.00 177.00 175.39 1wis s GLU 16 N -4.71 2.24 0.47 4.56 2.02 -1.13 -4.85 118.70 117.30 1wis s GLU 16 Ca 0.60 -2.17 -0.18 0.00 0.02 0.00 0.00 54.97 53.24 1wis s GLU 16 Cb -0.14 -1.92 -0.09 0.00 0.10 0.00 0.00 34.13 32.08 1wis s GLU 16 CO 0.48 -0.58 0.95 -0.51 0.02 0.00 0.00 175.26 175.63 1wis s LEU 17 N -4.18 3.77 0.00 1.80 1.43 -1.26 -4.66 118.68 115.57 1wis s LEU 17 Ca 0.24 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1wis s LEU 17 Cb -0.01 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1wis s LEU 17 CO 0.15 -0.48 0.00 -0.81 0.23 0.00 0.00 176.35 175.44 1wis n PRO 18 N -1.16 0.76 -4.38 1.29 -0.04 -1.22 -4.44 135.00 125.81 1wis n PRO 18 Ca 0.06 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 1wis n PRO 18 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 1wis n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wis s GLY 19 N -1.29 1.81 -0.15 0.55 0.00 0.22 -4.88 107.32 103.59 1wis s GLY 19 Ca 0.00 -1.91 -0.29 0.00 0.00 0.00 0.00 44.72 42.52 1wis s GLY 19 CO 0.00 -1.71 1.27 2.56 0.00 0.00 0.00 173.10 175.22 1wis s PRO 20 N -3.91 4.24 0.38 2.90 0.04 -1.26 -4.49 135.00 132.90 1wis s PRO 20 Ca 0.34 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 1wis s PRO 20 Cb 0.07 -3.75 -0.09 0.00 0.04 0.00 0.00 34.50 30.77 1wis s PRO 20 CO 0.13 -0.69 1.06 -1.25 0.04 0.00 0.00 177.00 176.29 1wis s PRO 21 N 3.39 4.22 0.00 0.56 0.04 -1.26 -4.53 135.00 137.42 1wis s PRO 21 Ca 0.55 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1wis s PRO 21 Cb -0.22 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1wis s PRO 21 CO 0.16 -0.10 0.00 0.25 0.04 0.00 0.00 177.00 177.35 1wis n THR 22 N 0.11 0.00 -2.54 1.26 -2.24 -1.14 -4.72 114.28 105.00 1wis n THR 22 Ca 0.04 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 1wis n THR 22 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -0.69 -5.60 -4.73 3.42 4.13 -1.26 -1.58 115.26 108.95 1wis n ASN 23 Ca 0.00 -0.09 -0.41 0.00 1.68 0.00 0.00 54.58 55.75 1wis n ASN 23 Cb 0.00 -4.58 -0.04 0.00 -1.54 0.00 0.00 39.78 33.62 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wis s LEU 24 N -5.71 4.44 0.06 3.41 2.96 -1.26 -3.70 118.68 118.87 1wis s LEU 24 Ca 0.08 2.08 -0.12 0.00 -0.22 0.00 0.00 54.13 55.95 1wis s LEU 24 Cb -0.04 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1wis s LEU 24 CO 0.10 -0.33 0.26 -0.83 -1.32 0.00 0.00 176.35 174.23 1wis s GLY 25 N 0.36 -0.05 -0.31 7.98 0.00 -1.04 -4.94 107.32 109.32 1wis s GLY 25 Ca 0.53 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.07 1wis s GLY 25 CO 0.33 -0.40 0.01 -0.42 0.00 0.00 0.00 173.10 172.62 1wis s ILE 26 N -2.91 2.63 0.42 0.90 -1.09 -1.26 -2.11 121.20 117.77 1wis s ILE 26 Ca -0.02 -1.77 0.05 0.00 -2.23 0.00 0.00 60.65 56.67 1wis s ILE 26 Cb 0.00 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1wis s ILE 26 CO -0.06 -0.28 0.03 -0.44 -1.23 0.00 0.00 174.94 172.96 1wis s SER 27 N 1.21 3.55 -1.62 3.58 0.01 -0.94 -4.75 113.70 114.73 1wis s SER 27 Ca -0.01 -1.47 -0.12 0.00 1.31 0.00 0.00 55.95 55.66 1wis s SER 27 Cb -0.20 -0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.12 1wis s SER 27 CO -0.04 -0.63 0.60 0.59 0.41 0.00 0.00 173.24 174.17 1wis n ASN 28 N -1.02 -2.01 -4.56 2.44 3.02 -1.26 -2.09 115.26 109.78 1wis n ASN 28 Ca -0.08 -1.05 -0.38 0.00 -0.03 0.00 0.00 54.58 53.04 1wis n ASN 28 Cb 0.67 -2.65 -0.03 0.00 -0.61 0.00 0.00 39.78 37.16 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wis s ILE 29 N -3.57 3.08 0.00 2.41 1.01 -1.26 -3.99 121.20 118.88 1wis s ILE 29 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1wis s ILE 29 Cb -0.27 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1wis s ILE 29 CO 0.93 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.31 1wis n GLY 30 N 5.90 0.13 0.10 6.18 0.00 0.13 -4.51 105.19 113.12 1wis n GLY 30 Ca 0.33 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1wis n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis h PRO 31 N 0.00 -0.12 0.00 1.61 0.13 -1.88 -1.67 132.00 130.08 1wis h PRO 31 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wis h PRO 31 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wis h PRO 31 CO 0.00 0.40 -0.13 0.54 -0.23 0.00 0.00 178.00 178.58 1wis n ARG 32 N -4.83 1.13 -3.75 0.86 1.74 -1.26 -3.30 116.66 107.25 1wis n ARG 32 Ca -0.07 -1.55 -0.12 0.00 -0.77 0.00 0.00 57.85 55.33 1wis n ARG 32 Cb 0.28 -0.95 -0.11 0.00 -1.02 0.00 0.00 32.46 30.66 1wis n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wis s SER 33 N -1.45 -0.36 0.05 0.55 1.04 -1.26 -1.57 113.70 110.71 1wis s SER 33 Ca 0.11 0.67 -0.04 0.00 0.48 0.00 0.00 55.95 57.17 1wis s SER 33 Cb 0.09 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 1wis s SER 33 CO 0.01 -0.13 0.07 0.68 0.98 0.00 0.00 173.24 174.84 1wis s VAL 34 N 0.54 0.16 -0.28 5.02 -7.23 -1.05 0.21 120.40 117.78 1wis s VAL 34 Ca -0.03 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1wis s VAL 34 Cb -0.05 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 1wis s VAL 34 CO -0.03 -0.74 0.18 -0.89 -0.31 0.00 0.00 175.10 173.30 1wis s THR 35 N -3.27 5.21 -0.33 5.32 2.01 -0.89 0.91 115.64 124.61 1wis s THR 35 Ca 0.01 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 1wis s THR 35 Cb 0.03 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.05 1wis s THR 35 CO -0.08 0.26 0.18 -0.22 -0.69 0.00 0.00 174.62 174.07 1wis s LEU 36 N 1.75 4.32 0.32 4.42 0.20 -0.11 -2.22 118.68 127.35 1wis s LEU 36 Ca 0.07 -0.59 0.03 0.00 0.69 0.00 0.00 54.13 54.33 1wis s LEU 36 Cb -0.16 -2.04 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 1wis s LEU 36 CO 0.10 -0.24 0.48 -1.10 -0.29 0.00 0.00 176.35 175.30 1wis s GLN 37 N 1.63 3.33 -0.01 1.98 -0.21 -0.90 -1.98 119.66 123.50 1wis s GLN 37 Ca 0.04 -0.66 -0.04 0.00 0.02 0.00 0.00 55.36 54.72 1wis s GLN 37 Cb -0.18 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.08 1wis s GLN 37 CO 0.07 0.18 0.18 1.97 -2.12 0.00 0.00 175.29 175.57 1wis n PHE 38 N -1.65 -0.02 -3.74 0.91 -1.74 -0.37 -2.50 117.46 108.35 1wis n PHE 38 Ca -0.04 -0.07 -0.12 0.00 -0.56 0.00 0.00 57.45 56.65 1wis n PHE 38 Cb 0.57 0.03 -0.12 0.00 1.52 0.00 0.00 39.48 41.48 1wis n PHE 38 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 1wis s ARG 39 N -2.00 0.30 -0.32 3.97 1.70 -0.62 -4.61 118.95 117.36 1wis s ARG 39 Ca 0.04 0.51 -0.29 0.00 -0.47 0.00 0.00 55.73 55.53 1wis s ARG 39 Cb -0.00 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1wis s ARG 39 CO -0.00 -0.11 1.36 -1.25 -1.08 0.00 0.00 175.30 174.22 1wis s PRO 40 N 0.78 3.81 0.00 3.89 0.04 -1.26 -2.89 135.00 139.37 1wis s PRO 40 Ca -0.05 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1wis s PRO 40 Cb -0.06 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1wis s PRO 40 CO -0.05 -1.26 0.43 0.41 0.04 0.00 0.00 177.00 176.57 1wis n GLY 41 N 4.56 -1.26 2.89 0.56 0.00 -1.26 -4.81 105.19 105.86 1wis n GLY 41 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1wis n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wis s TYR 42 N -1.50 1.83 0.04 1.61 6.14 -1.26 -4.96 117.35 119.25 1wis s TYR 42 Ca 0.00 -1.25 -0.24 0.00 0.64 0.00 0.00 57.07 56.22 1wis s TYR 42 Cb 0.00 -1.36 -0.17 0.00 0.42 0.00 0.00 41.96 40.84 1wis s TYR 42 CO 0.00 -0.66 1.54 -0.44 0.64 0.00 0.00 175.55 176.63 1wis h ASP 43 N 8.08 0.00 0.00 4.32 5.19 -1.87 0.63 116.42 132.78 1wis h ASP 43 Ca -0.22 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1wis h ASP 43 Cb 1.10 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1wis h ASP 43 CO 0.40 0.21 0.00 0.61 -3.12 0.00 0.00 179.24 177.34 1wis n GLY 44 N -0.53 1.70 3.21 2.75 0.00 -1.26 -3.37 105.19 107.69 1wis n GLY 44 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1wis n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wis n LYS 45 N -0.29 -6.03 -3.57 1.61 5.02 -1.26 -2.86 118.16 110.79 1wis n LYS 45 Ca 0.00 0.85 -0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1wis n LYS 45 Cb 0.00 -5.71 -0.06 0.00 -0.02 0.00 0.00 35.03 29.24 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wis s THR 46 N -3.23 -0.09 0.49 -0.18 -1.32 -1.26 -4.87 115.64 105.18 1wis s THR 46 Ca 0.41 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.67 1wis s THR 46 Cb -0.18 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.72 1wis s THR 46 CO 0.51 0.00 0.94 -1.54 -2.21 0.00 0.00 174.62 172.31 1wis n SER 47 N 3.84 0.84 -4.76 8.08 3.41 -1.26 -4.82 113.62 118.95 1wis n SER 47 Ca -0.16 0.94 -0.35 0.00 -0.26 0.00 0.00 58.87 59.04 1wis n SER 47 Cb 0.56 -1.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.21 1wis n SER 47 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wis s ILE 48 N -1.40 2.78 -0.25 -1.33 -1.09 -1.26 -4.68 121.20 113.98 1wis s ILE 48 Ca 0.67 0.46 0.04 0.00 -2.23 0.00 0.00 60.65 59.60 1wis s ILE 48 Cb -0.51 -3.14 -0.18 0.00 -1.58 0.00 0.00 42.46 37.06 1wis s ILE 48 CO 0.54 -0.13 -0.18 -1.20 -1.23 0.00 0.00 174.94 172.74 1wis n SER 49 N -1.72 1.72 -3.63 3.58 7.64 0.45 -4.56 113.62 117.10 1wis n SER 49 Ca 0.13 -0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 1wis n SER 49 Cb 0.50 -0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wis s ARG 50 N -2.51 0.45 0.01 1.43 3.00 -1.09 -1.65 118.95 118.59 1wis s ARG 50 Ca -0.31 0.49 -0.08 0.00 -1.00 0.00 0.00 55.73 54.83 1wis s ARG 50 Cb 0.08 0.22 -0.05 0.00 0.00 0.00 0.00 34.95 35.21 1wis s ARG 50 CO 0.62 -0.06 0.29 -1.58 0.00 0.00 0.00 175.30 174.57 1wis s TRP 51 N 0.07 3.59 -0.14 5.12 0.52 0.32 -1.65 118.94 126.77 1wis s TRP 51 Ca 0.03 0.64 -0.02 0.00 0.02 0.00 0.00 56.10 56.78 1wis s TRP 51 Cb -0.05 -2.04 -0.02 0.00 -1.15 0.00 0.00 33.47 30.21 1wis s TRP 51 CO -0.07 0.61 -0.09 -0.51 0.02 0.00 0.00 176.95 176.91 1wis s LEU 52 N -1.68 2.97 -0.26 2.99 1.02 -0.93 -1.50 118.68 121.29 1wis s LEU 52 Ca 0.27 -0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.21 1wis s LEU 52 Cb -0.13 -1.69 0.07 0.00 0.02 0.00 0.00 46.19 44.45 1wis s LEU 52 CO 0.15 0.17 -0.05 -0.69 0.02 0.00 0.00 176.35 175.95 1wis s VAL 53 N 0.32 1.84 0.47 -1.59 1.01 0.29 -0.21 120.40 122.52 1wis s VAL 53 Ca -0.07 -1.53 0.08 0.00 0.00 0.00 0.00 61.98 60.46 1wis s VAL 53 Cb -0.15 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1wis s VAL 53 CO 0.04 -0.17 0.63 -1.61 0.00 0.00 0.00 175.10 173.99 1wis s GLU 54 N 1.23 2.63 -0.06 2.72 2.02 -1.25 -0.86 118.70 125.13 1wis s GLU 54 Ca -0.04 -1.40 -0.30 0.00 0.02 0.00 0.00 54.97 53.25 1wis s GLU 54 Cb -0.19 -2.69 0.11 0.00 0.10 0.00 0.00 34.13 31.46 1wis s GLU 54 CO -0.07 -0.46 0.93 0.00 0.02 0.00 0.00 175.26 175.68 1wis s ALA 55 N -2.47 -1.87 0.09 5.21 0.00 -0.35 -1.98 121.76 120.40 1wis s ALA 55 Ca 0.56 1.20 0.10 0.00 0.00 0.00 0.00 51.96 53.83 1wis s ALA 55 Cb -0.08 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1wis s ALA 55 CO 0.34 -0.58 -0.25 -0.65 0.00 0.00 0.00 175.76 174.62 1wis s GLN 56 N -2.53 1.64 -0.05 0.00 -0.21 -1.21 -3.41 119.66 113.89 1wis s GLN 56 Ca 0.03 -1.22 -0.24 0.00 0.02 0.00 0.00 55.36 53.95 1wis s GLN 56 Cb -0.01 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1wis s GLN 56 CO -0.06 0.48 0.73 0.08 -2.12 0.00 0.00 175.29 174.41 1wis s VAL 57 N -0.96 5.00 0.00 1.09 1.01 -1.26 -3.19 120.40 122.09 1wis s VAL 57 Ca 0.13 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1wis s VAL 57 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1wis s VAL 57 CO 0.05 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1wis n GLY 58 N 3.02 0.51 3.52 4.51 0.00 -0.58 -4.20 105.19 111.97 1wis n GLY 58 Ca -0.01 0.57 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 1wis n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wis n VAL 59 N 0.00 -0.02 -3.81 1.61 3.14 -1.26 -4.74 118.33 113.25 1wis n VAL 59 Ca 0.00 -0.35 -0.30 0.00 -2.96 0.00 0.00 64.34 60.73 1wis n VAL 59 Cb 0.00 -1.09 -0.15 0.00 -1.06 0.00 0.00 33.84 31.54 1wis n VAL 59 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wis s VAL 60 N 8.44 1.13 0.00 1.55 0.11 -1.26 -4.93 120.40 125.43 1wis s VAL 60 Ca 1.22 -1.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1wis s VAL 60 Cb -0.79 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1wis s VAL 60 CO 0.41 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 1wis n GLY 61 N 4.76 1.06 2.89 6.54 0.00 -1.26 -5.07 105.19 114.12 1wis n GLY 61 Ca -0.04 0.37 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 1wis n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wis s GLU 62 N 2.15 1.41 0.00 1.61 -1.05 -1.26 -4.72 118.70 116.84 1wis s GLU 62 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 1wis s GLU 62 Cb 0.00 -1.50 0.00 0.00 -0.44 0.00 0.00 34.13 32.19 1wis s GLU 62 CO 0.00 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.35 1wis n GLY 63 N 4.95 1.20 3.64 -3.83 0.00 -1.26 -5.12 105.19 104.77 1wis n GLY 63 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1wis n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wis s GLU 64 N 0.00 2.35 0.53 1.61 0.41 -1.26 -5.12 118.70 117.22 1wis s GLU 64 Ca 0.00 -0.99 -0.08 0.00 -0.41 0.00 0.00 54.97 53.49 1wis s GLU 64 Cb 0.00 -2.40 -0.04 0.00 -1.78 0.00 0.00 34.13 29.91 1wis s GLU 64 CO 0.00 0.50 0.89 -1.83 -0.49 0.00 0.00 175.26 174.34 1wis s GLU 65 N -2.46 3.60 -0.25 1.61 -1.05 -1.26 -4.95 118.70 113.93 1wis s GLU 65 Ca 0.25 0.47 -0.05 0.00 -0.15 0.00 0.00 54.97 55.49 1wis s GLU 65 Cb -0.11 -2.25 -0.00 0.00 -0.44 0.00 0.00 34.13 31.33 1wis s GLU 65 CO 0.17 -0.35 0.02 -1.58 0.95 0.00 0.00 175.26 174.47 1wis s TRP 66 N -2.90 3.05 0.12 4.83 0.52 -1.26 -4.86 118.94 118.45 1wis s TRP 66 Ca 0.51 -0.90 0.02 0.00 0.02 0.00 0.00 56.10 55.75 1wis s TRP 66 Cb -0.11 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.00 1wis s TRP 66 CO 0.47 -0.53 0.24 -0.51 0.02 0.00 0.00 176.95 176.64 1wis s LEU 67 N 1.50 4.27 0.52 2.99 1.43 -1.22 -4.89 118.68 123.29 1wis s LEU 67 Ca 0.04 0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 1wis s LEU 67 Cb -0.15 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.14 1wis s LEU 67 CO -0.00 0.09 1.03 -0.22 0.23 0.00 0.00 176.35 177.48 1wis s LEU 68 N -2.97 3.70 0.00 1.79 2.96 -1.26 -1.21 118.68 121.69 1wis s LEU 68 Ca 0.34 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1wis s LEU 68 Cb -0.12 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.03 1wis s LEU 68 CO 0.28 -0.86 0.00 2.30 -1.32 0.00 0.00 176.35 176.75 1wis n ILE 69 N -1.39 0.00 -4.25 6.68 -5.35 -0.04 -4.83 119.36 110.18 1wis n ILE 69 Ca 0.09 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.36 1wis n ILE 69 Cb 0.53 -0.44 -0.12 0.00 -1.74 0.00 0.00 39.64 37.87 1wis n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1wis s HIS 70 N -1.73 1.38 -0.22 4.28 5.04 -0.35 -4.95 115.29 118.74 1wis s HIS 70 Ca 0.00 -0.43 -0.10 0.00 -1.54 0.00 0.00 55.06 52.99 1wis s HIS 70 Cb 0.00 -0.78 0.08 0.00 0.04 0.00 0.00 32.58 31.93 1wis s HIS 70 CO 0.00 0.09 0.51 1.14 -2.34 0.00 0.00 174.74 174.14 1wis s GLN 71 N -1.65 0.47 -0.31 2.88 -2.07 -1.26 0.10 119.66 117.82 1wis s GLN 71 Ca 0.01 1.06 -0.10 0.00 -1.82 0.00 0.00 55.36 54.51 1wis s GLN 71 Cb -0.10 0.27 -0.01 0.00 -1.09 0.00 0.00 33.01 32.08 1wis s GLN 71 CO 0.03 -0.19 0.16 -1.17 -1.32 0.00 0.00 175.29 172.79 1wis s LEU 72 N 2.07 4.10 -0.13 2.60 2.96 -0.57 -4.90 118.68 124.81 1wis s LEU 72 Ca -0.07 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 1wis s LEU 72 Cb -0.09 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1wis s LEU 72 CO -0.15 -0.17 0.04 -0.44 -1.32 0.00 0.00 176.35 174.30 1wis s SER 73 N 1.64 5.46 -0.18 3.68 0.01 -1.26 0.12 113.70 123.17 1wis s SER 73 Ca 0.05 0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.43 1wis s SER 73 Cb -0.17 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1wis s SER 73 CO 0.07 0.28 0.06 0.59 0.41 0.00 0.00 173.24 174.65 1wis n ASN 74 N 2.79 -5.25 0.00 2.44 4.13 -0.66 -4.98 115.26 113.73 1wis n ASN 74 Ca -0.18 0.69 0.00 0.00 1.68 0.00 0.00 54.58 56.77 1wis n ASN 74 Cb 0.53 -3.35 0.00 0.00 -1.54 0.00 0.00 39.78 35.42 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wis n GLU 75 N 0.24 0.00 0.00 3.52 -0.58 -1.26 -5.01 120.64 117.55 1wis n GLU 75 Ca 0.01 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.86 1wis n GLU 75 Cb 0.04 0.00 0.64 0.00 -0.57 0.00 0.00 31.44 31.56 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wis n PRO 76 N 0.00 0.75 -1.66 3.49 -0.04 -1.26 -2.54 135.00 133.74 1wis n PRO 76 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1wis n PRO 76 Cb 0.00 -1.45 0.08 0.00 -0.04 0.00 0.00 33.50 32.09 1wis n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 77 N -0.95 3.06 -4.20 3.54 8.00 -1.26 -4.88 116.55 119.85 1wis n ASP 77 Ca 0.16 -3.36 -0.41 0.00 0.71 0.00 0.00 54.79 51.89 1wis n ASP 77 Cb 0.07 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 1wis n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wis s ALA 78 N -3.16 3.63 0.34 2.24 0.00 -1.05 -4.90 121.76 118.87 1wis s ALA 78 Ca 0.42 -3.00 0.11 0.00 0.00 0.00 0.00 51.96 49.48 1wis s ALA 78 Cb 0.38 -2.93 0.63 0.00 0.00 0.00 0.00 23.12 21.20 1wis s ALA 78 CO -0.03 -2.07 1.78 0.00 0.00 0.00 0.00 175.76 175.45 1wis h ARG 79 N 7.75 0.09 -4.32 0.00 -0.00 -1.90 -3.46 114.38 112.54 1wis h ARG 79 Ca -0.06 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.98 59.18 1wis h ARG 79 Cb 1.02 -0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.86 1wis h ARG 79 CO 0.78 0.46 -0.45 -1.54 0.00 0.00 0.00 179.97 179.22 1wis s SER 80 N -6.91 0.22 -0.03 7.04 1.04 -1.26 -1.24 113.70 112.56 1wis s SER 80 Ca -0.03 -1.29 -0.29 0.00 0.48 0.00 0.00 55.95 54.82 1wis s SER 80 Cb 0.14 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.82 1wis s SER 80 CO 0.74 -0.97 0.83 0.00 0.98 0.00 0.00 173.24 174.82 1wis s MET 81 N -4.01 0.88 0.14 4.02 0.23 -0.84 -5.00 119.30 114.72 1wis s MET 81 Ca 0.34 -0.10 -0.27 0.00 -1.03 0.00 0.00 55.69 54.64 1wis s MET 81 Cb 0.04 0.41 -0.07 0.00 -1.53 0.00 0.00 34.83 33.68 1wis s MET 81 CO 0.13 -0.34 0.83 -2.00 -2.03 0.00 0.00 175.02 171.60 1wis s GLU 82 N -2.30 4.61 -0.54 3.16 2.12 -1.26 -0.93 118.70 123.57 1wis s GLU 82 Ca -0.01 1.23 -0.02 0.00 0.36 0.00 0.00 54.97 56.53 1wis s GLU 82 Cb -0.01 -3.31 0.14 0.00 0.26 0.00 0.00 34.13 31.22 1wis s GLU 82 CO -0.03 0.44 0.34 0.08 -0.54 0.00 0.00 175.26 175.54 1wis s VAL 83 N -0.70 3.44 0.00 3.70 1.01 0.26 -4.94 120.40 123.17 1wis s VAL 83 Ca 0.39 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.69 1wis s VAL 83 Cb -0.23 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1wis s VAL 83 CO 0.27 -0.80 0.00 -0.81 0.00 0.00 0.00 175.10 173.76 1wis n PRO 84 N 3.84 -0.38 -3.51 2.72 -0.04 -1.26 -2.54 135.00 133.84 1wis n PRO 84 Ca 0.04 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 1wis n PRO 84 Cb 0.39 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.86 1wis n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wis n ASP 85 N -2.75 -5.81 -4.15 3.54 2.03 -1.00 -4.85 116.55 103.56 1wis n ASP 85 Ca 0.00 -0.47 -0.21 0.00 0.52 0.00 0.00 54.79 54.63 1wis n ASP 85 Cb 0.00 -2.64 -0.14 0.00 -0.72 0.00 0.00 41.12 37.62 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wis s LEU 86 N -3.94 2.14 -0.33 -2.67 1.43 -0.61 -5.00 118.68 109.71 1wis s LEU 86 Ca 0.12 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1wis s LEU 86 Cb -0.02 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1wis s LEU 86 CO 0.86 0.08 0.81 0.20 0.23 0.00 0.00 176.35 178.52 1wis s ASN 87 N -0.98 6.64 0.57 2.29 -0.87 -1.26 -4.31 114.94 117.01 1wis s ASN 87 Ca 0.03 0.58 -0.17 0.00 -1.57 0.00 0.00 52.86 51.74 1wis s ASN 87 Cb -0.07 -2.41 -0.05 0.00 -0.02 0.00 0.00 41.25 38.69 1wis s ASN 87 CO 0.01 -0.68 1.05 -2.16 -2.57 0.00 0.00 177.10 172.75 1wis s PRO 88 N 3.07 3.47 -1.51 -0.60 0.04 -1.21 -3.63 135.00 134.63 1wis s PRO 88 Ca 0.33 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.45 1wis s PRO 88 Cb -0.14 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.42 1wis s PRO 88 CO 0.14 -0.69 1.01 0.34 0.04 0.00 0.00 177.00 177.85 1wis n PHE 89 N -1.80 -2.39 -3.76 0.56 7.35 -0.77 -4.89 117.46 111.76 1wis n PHE 89 Ca 0.09 0.92 -0.12 0.00 -0.76 0.00 0.00 57.45 57.57 1wis n PHE 89 Cb 0.53 -4.15 -0.12 0.00 0.35 0.00 0.00 39.48 36.09 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wis s THR 90 N -3.31 -0.02 -0.29 -2.13 2.01 -1.24 -4.98 115.64 105.68 1wis s THR 90 Ca 0.64 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1wis s THR 90 Cb -0.32 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1wis s THR 90 CO 0.82 0.03 1.39 0.00 -0.69 0.00 0.00 174.62 176.17 1wis s TYR 92 N 4.69 1.06 0.35 0.00 1.51 -1.26 -1.53 117.35 122.17 1wis s TYR 92 Ca 0.61 -0.83 0.09 0.00 -1.01 0.00 0.00 57.07 55.92 1wis s TYR 92 Cb -0.19 -0.57 -0.06 0.00 -0.11 0.00 0.00 41.96 41.03 1wis s TYR 92 CO 0.25 -0.04 -0.07 0.45 -1.11 0.00 0.00 175.55 175.04 1wis s SER 93 N -3.08 3.83 -0.14 2.29 0.15 -1.19 -4.12 113.70 111.44 1wis s SER 93 Ca 0.14 -1.18 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 1wis s SER 93 Cb 0.04 -0.39 0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1wis s SER 93 CO -0.02 -0.23 0.39 -0.36 1.20 0.00 0.00 173.24 174.21 1wis s PHE 94 N -2.60 -0.42 0.00 3.44 0.08 -1.26 -3.30 117.98 113.92 1wis s PHE 94 Ca 0.33 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.39 1wis s PHE 94 Cb 0.03 0.15 0.00 0.00 -0.57 0.00 0.00 43.02 42.62 1wis s PHE 94 CO 0.17 -0.22 0.00 2.89 -0.10 0.00 0.00 175.22 177.96 1wis n ARG 95 N 2.78 1.35 -4.01 0.44 1.85 -0.84 -2.42 116.66 115.82 1wis n ARG 95 Ca -0.14 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.64 1wis n ARG 95 Cb 0.57 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.89 1wis n ARG 95 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wis s MET 96 N -1.42 0.60 0.08 2.89 -1.94 -1.26 -3.97 119.30 114.28 1wis s MET 96 Ca 0.00 -1.01 -0.13 0.00 -1.71 0.00 0.00 55.69 52.84 1wis s MET 96 Cb 0.00 0.22 0.02 0.00 2.01 0.00 0.00 34.83 37.08 1wis s MET 96 CO 0.00 -0.13 0.31 1.03 -0.01 0.00 0.00 175.02 176.22 1wis s ARG 97 N -3.32 0.91 -0.05 2.03 0.52 0.71 -3.31 118.95 116.44 1wis s ARG 97 Ca 0.01 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1wis s ARG 97 Cb 0.03 0.39 -0.01 0.00 0.52 0.00 0.00 34.95 35.89 1wis s ARG 97 CO -0.08 -0.32 -0.21 -0.65 0.02 0.00 0.00 175.30 174.07 1wis s GLN 98 N -3.31 2.18 -0.07 3.54 -0.21 -1.26 -2.18 119.66 118.35 1wis s GLN 98 Ca 0.00 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 54.67 1wis s GLN 98 Cb 0.02 -1.84 0.01 0.00 1.00 0.00 0.00 33.01 32.19 1wis s GLN 98 CO -0.08 0.28 -0.14 0.08 -2.12 0.00 0.00 175.29 173.32 1wis s VAL 99 N 0.01 1.24 0.35 1.09 1.01 -0.66 -1.22 120.40 122.22 1wis s VAL 99 Ca -0.05 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1wis s VAL 99 Cb -0.13 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1wis s VAL 99 CO 0.03 0.38 0.21 -0.46 0.00 0.00 0.00 175.10 175.26 1wis n ASN 100 N 3.71 0.18 0.20 3.32 0.23 -0.41 0.17 115.26 122.65 1wis n ASN 100 Ca -0.22 -3.10 0.12 0.00 -0.53 0.00 0.00 54.58 50.85 1wis n ASN 100 Cb 0.52 1.33 0.65 0.00 -2.08 0.00 0.00 39.78 40.20 1wis n ASN 100 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1wis h ILE 101 N 1.86 0.00 0.00 1.53 6.09 -1.93 -3.09 117.51 121.97 1wis h ILE 101 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1wis h ILE 101 Cb 1.16 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.98 1wis h ILE 101 CO 0.40 0.00 0.00 0.52 -3.07 0.00 0.00 178.15 176.00 1wis n VAL 102 N -2.37 0.00 -1.09 2.19 0.31 -1.26 -5.07 118.33 111.04 1wis n VAL 102 Ca -0.02 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1wis n VAL 102 Cb 0.11 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1wis n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 103 N 2.42 3.26 3.22 2.92 0.00 -1.17 -5.07 105.19 110.77 1wis n GLY 103 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -1.09 1.90 1.04 2.61 2.01 -1.26 -1.29 115.64 119.56 1wis s THR 104 Ca 0.00 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 1wis s THR 104 Cb 0.00 -1.62 0.21 0.00 0.01 0.00 0.00 72.50 71.09 1wis s THR 104 CO 0.00 0.53 1.13 -0.94 -0.69 0.00 0.00 174.62 174.65 1wis s SER 105 N 0.07 2.36 0.99 3.53 1.04 -0.36 -4.99 113.70 116.34 1wis s SER 105 Ca -0.09 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.06 1wis s SER 105 Cb -0.15 -1.33 0.19 0.00 0.10 0.00 0.00 66.02 64.83 1wis s SER 105 CO 0.05 -3.26 1.18 -2.16 0.98 0.00 0.00 173.24 170.03 1wis s PRO 106 N -5.26 0.49 0.22 4.02 0.04 -1.26 -4.66 135.00 128.59 1wis s PRO 106 Ca 0.67 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 1wis s PRO 106 Cb -0.14 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1wis s PRO 106 CO 0.56 -2.59 1.10 -1.25 0.04 0.00 0.00 177.00 174.86 1wis s PRO 107 N -5.46 4.61 0.18 0.56 0.04 -1.26 -4.78 135.00 128.90 1wis s PRO 107 Ca 0.68 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 63.42 1wis s PRO 107 Cb -0.11 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1wis s PRO 107 CO 0.54 0.13 0.43 0.45 0.04 0.00 0.00 177.00 178.59 1wis s SER 108 N -0.42 6.51 0.10 6.66 0.15 -1.21 -5.01 113.70 120.49 1wis s SER 108 Ca 0.47 0.66 -0.33 0.00 0.70 0.00 0.00 55.95 57.46 1wis s SER 108 Cb -0.30 -2.12 -0.18 0.00 -1.71 0.00 0.00 66.02 61.70 1wis s SER 108 CO 0.37 -0.01 0.76 0.00 1.20 0.00 0.00 173.24 175.56 1wis n GLN 109 N -0.12 0.00 -1.77 5.44 6.02 -1.26 -4.50 117.38 121.19 1wis n GLN 109 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.66 1wis n GLN 109 Cb 0.52 -1.20 0.03 0.00 1.02 0.00 0.00 30.24 30.61 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wis s PRO 110 N -0.52 3.12 0.29 -1.09 0.04 -1.26 -4.80 135.00 130.79 1wis s PRO 110 Ca 0.75 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 1wis s PRO 110 Cb -1.06 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 1wis s PRO 110 CO 0.55 -0.96 0.83 -1.54 0.04 0.00 0.00 177.00 175.92 1wis s SER 111 N -3.43 7.12 0.99 6.66 1.04 -1.02 -5.00 113.70 120.06 1wis s SER 111 Ca 0.60 1.59 -0.17 0.00 0.48 0.00 0.00 55.95 58.45 1wis s SER 111 Cb -0.14 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 1wis s SER 111 CO 0.48 -0.07 -0.49 0.54 0.98 0.00 0.00 173.24 174.67 1wis n ARG 112 N 0.40 -0.15 -2.02 4.02 1.74 -1.26 -4.62 116.66 114.76 1wis n ARG 112 Ca 0.01 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 1wis n ARG 112 Cb 0.51 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.65 1wis n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1wis s LYS 113 N -2.52 4.20 0.46 5.56 2.47 -1.26 -4.93 119.74 123.72 1wis s LYS 113 Ca 0.45 2.19 0.05 0.00 -1.56 0.00 0.00 55.97 57.10 1wis s LYS 113 Cb -0.16 -3.83 -0.03 0.00 -1.46 0.00 0.00 37.83 32.34 1wis s LYS 113 CO 0.77 -0.78 0.15 0.96 0.16 0.00 0.00 175.35 176.61 1wis s ILE 114 N 3.46 1.87 -0.17 5.43 -5.25 -1.26 -5.07 121.20 120.22 1wis s ILE 114 Ca 0.72 -1.78 -0.02 0.00 -0.99 0.00 0.00 60.65 58.58 1wis s ILE 114 Cb -0.34 -2.66 0.05 0.00 2.95 0.00 0.00 42.46 42.46 1wis s ILE 114 CO 0.30 0.00 0.00 -1.58 -1.79 0.00 0.00 174.94 171.87 1wis s GLN 115 N -3.93 0.91 0.57 0.37 0.74 -1.26 -4.11 119.66 112.95 1wis s GLN 115 Ca 0.31 -0.40 -0.18 0.00 0.05 0.00 0.00 55.36 55.13 1wis s GLN 115 Cb 0.03 -1.94 -0.04 0.00 1.10 0.00 0.00 33.01 32.16 1wis s GLN 115 CO 0.17 -0.53 1.13 0.95 -0.55 0.00 0.00 175.29 176.45 1wis s THR 116 N 1.79 3.18 1.25 -0.34 -4.23 -1.26 -4.92 115.64 111.11 1wis s THR 116 Ca 0.00 0.68 -0.18 0.00 -1.18 0.00 0.00 61.69 61.01 1wis s THR 116 Cb -0.16 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.75 1wis s THR 116 CO -0.07 -0.21 1.02 -0.76 -0.54 0.00 0.00 174.62 174.06 1wis s LEU 117 N -4.09 0.16 0.20 4.79 1.43 -0.63 -1.86 118.68 118.69 1wis s LEU 117 Ca 0.71 0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 1wis s LEU 117 Cb -0.23 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.21 1wis s LEU 117 CO 0.31 -4.49 0.56 -1.10 0.23 0.00 0.00 176.35 171.86 1wis s GLN 118 N -4.99 3.88 -1.14 1.70 -0.21 -1.26 -1.84 119.66 115.80 1wis s GLN 118 Ca 0.69 0.38 -0.10 0.00 0.02 0.00 0.00 55.36 56.34 1wis s GLN 118 Cb -0.16 -2.74 0.25 0.00 1.00 0.00 0.00 33.01 31.35 1wis s GLN 118 CO 0.59 0.37 1.21 0.45 -2.12 0.00 0.00 175.29 175.79 1wis s SER 119 N -2.11 7.26 0.22 5.90 0.15 -1.26 -4.82 113.70 119.04 1wis s SER 119 Ca 0.44 -3.43 -0.01 0.00 0.70 0.00 0.00 55.95 53.65 1wis s SER 119 Cb -0.13 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1wis s SER 119 CO 0.20 -0.42 0.19 -0.83 1.20 0.00 0.00 173.24 173.58 1wis s GLY 120 N 1.75 1.43 -1.08 9.45 0.00 -1.26 -5.08 107.32 112.54 1wis s GLY 120 Ca 0.34 -1.65 -0.22 0.00 0.00 0.00 0.00 44.72 43.19 1wis s GLY 120 CO -0.06 -1.32 1.75 2.56 0.00 0.00 0.00 173.10 176.04 1wis s PRO 121 N -4.05 3.15 -0.55 2.90 0.04 -1.26 -4.90 135.00 130.33 1wis s PRO 121 Ca 0.37 -1.07 -0.38 0.00 0.04 0.00 0.00 61.00 59.96 1wis s PRO 121 Cb 0.06 -5.29 -0.17 0.00 0.04 0.00 0.00 34.50 29.14 1wis s PRO 121 CO 0.13 -2.92 2.27 0.43 0.04 0.00 0.00 177.00 176.96 1wis n SER 122 N 11.36 1.14 -4.66 6.66 7.64 -1.26 -4.87 113.62 129.64 1wis n SER 122 Ca 0.41 0.45 -0.30 0.00 1.01 0.00 0.00 58.87 60.44 1wis n SER 122 Cb 0.48 -1.04 0.17 0.00 -1.01 0.00 0.00 64.21 62.80 1wis n SER 122 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wis s SER 123 N 7.26 2.84 0.00 6.43 0.15 -1.26 -5.31 113.70 123.80 1wis s SER 123 Ca 1.19 1.60 0.00 0.00 0.70 0.00 0.00 55.95 59.44 1wis s SER 123 Cb -1.20 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 60.86 1wis s SER 123 CO 0.56 -3.06 0.00 0.61 1.20 0.00 0.00 173.24 172.55