#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 6.88 -0.27 1.61 0.15 -1.26 -5.07 113.70 115.74 2eef s SER 2 Ca 0.00 1.05 -0.14 0.00 0.70 0.00 0.00 55.95 57.56 2eef s SER 2 Cb 0.00 -2.28 0.09 0.00 -1.71 0.00 0.00 66.02 62.12 2eef s SER 2 CO 0.00 0.30 0.65 -0.94 1.20 0.00 0.00 173.24 174.45 2eef s SER 3 N -1.03 -0.95 0.00 5.45 1.04 -1.26 -5.16 113.70 111.79 2eef s SER 3 Ca 0.25 1.47 0.00 0.00 0.48 0.00 0.00 55.95 58.16 2eef s SER 3 Cb -0.17 1.55 0.00 0.00 0.10 0.00 0.00 66.02 67.49 2eef s SER 3 CO 0.15 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2eef n GLY 4 N 4.59 4.05 3.57 7.32 0.00 -1.26 -5.07 105.19 118.39 2eef n GLY 4 Ca -0.18 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2eef n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eef s SER 5 N 0.00 6.36 -0.16 1.61 0.15 -1.26 -4.98 113.70 115.43 2eef s SER 5 Ca 0.00 -0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 2eef s SER 5 Cb 0.00 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2eef s SER 5 CO 0.00 -1.54 -0.04 -0.55 1.20 0.00 0.00 173.24 172.31 2eef s SER 6 N 3.15 2.69 -0.13 5.45 0.15 -1.26 -5.13 113.70 118.62 2eef s SER 6 Ca 0.39 -0.61 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 2eef s SER 6 Cb -0.08 -0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 2eef s SER 6 CO 0.22 -0.20 -0.03 -0.83 1.20 0.00 0.00 173.24 173.60 2eef s GLY 7 N 1.70 1.74 -0.13 9.45 0.00 -1.26 -5.10 107.32 113.73 2eef s GLY 7 Ca 0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 2eef s GLY 7 CO -0.07 -0.25 0.76 0.00 0.00 0.00 0.00 173.10 173.53 2eef s ALA 8 N -0.04 -1.81 -0.39 3.20 0.00 -1.26 -5.13 121.76 116.32 2eef s ALA 8 Ca 0.02 1.55 -0.16 0.00 0.00 0.00 0.00 51.96 53.37 2eef s ALA 8 Cb -0.13 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2eef s ALA 8 CO 0.02 -0.35 0.38 -1.21 0.00 0.00 0.00 175.76 174.61 2eef s GLU 9 N -0.75 3.22 0.18 0.00 0.41 -1.26 -5.03 118.70 115.47 2eef s GLU 9 Ca -0.06 -0.71 -0.19 0.00 -0.41 0.00 0.00 54.97 53.59 2eef s GLU 9 Cb -0.01 -3.92 -0.12 0.00 -1.78 0.00 0.00 34.13 28.30 2eef s GLU 9 CO 0.06 -0.72 0.31 0.43 -0.49 0.00 0.00 175.26 174.85 2eef n SER 10 N 5.43 -1.15 -5.00 -0.19 7.64 -1.26 -4.94 113.62 114.14 2eef n SER 10 Ca -0.09 0.77 -0.18 0.00 1.01 0.00 0.00 58.87 60.38 2eef n SER 10 Cb 0.48 -0.68 0.02 0.00 -1.01 0.00 0.00 64.21 63.03 2eef n SER 10 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2eef s GLU 11 N -0.72 2.67 0.59 1.43 2.02 -1.26 -5.12 118.70 118.31 2eef s GLU 11 Ca 0.46 -1.21 -0.06 0.00 0.02 0.00 0.00 54.97 54.18 2eef s GLU 11 Cb -0.63 -2.68 0.13 0.00 0.10 0.00 0.00 34.13 31.05 2eef s GLU 11 CO 0.42 -0.47 0.81 -1.13 0.02 0.00 0.00 175.26 174.91 2eef n SER 12 N -2.02 0.47 -4.44 -0.19 3.41 -1.26 -4.94 113.62 104.65 2eef n SER 12 Ca 0.09 -1.54 -0.21 0.00 -0.26 0.00 0.00 58.87 56.95 2eef n SER 12 Cb 0.60 -0.58 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 2eef n SER 12 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2eef s PHE 13 N -2.56 1.94 0.26 7.33 0.40 -1.26 -1.54 117.98 122.55 2eef s PHE 13 Ca 0.49 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2eef s PHE 13 Cb -0.02 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 2eef s PHE 13 CO 0.34 0.08 0.20 0.14 0.70 0.00 0.00 175.22 176.67 2eef s VAL 14 N -3.23 0.01 -0.08 -0.44 -7.23 0.17 -4.53 120.40 105.08 2eef s VAL 14 Ca 0.34 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 2eef s VAL 14 Cb 0.07 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2eef s VAL 14 CO 0.14 0.00 0.41 -0.76 -0.31 0.00 0.00 175.10 174.58 2eef s LEU 15 N -3.26 4.36 -0.10 1.32 1.43 -1.26 -1.84 118.68 119.32 2eef s LEU 15 Ca 0.40 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.32 2eef s LEU 15 Cb 0.05 -2.58 0.14 0.00 0.03 0.00 0.00 46.19 43.83 2eef s LEU 15 CO 0.19 0.17 1.30 -0.67 0.23 0.00 0.00 176.35 177.57 2eef n ASP 16 N 2.83 3.49 -3.76 2.29 2.03 -0.91 -4.76 116.55 117.77 2eef n ASP 16 Ca -0.11 -2.40 -0.12 0.00 0.52 0.00 0.00 54.79 52.68 2eef n ASP 16 Cb 0.52 -0.64 -0.12 0.00 -0.72 0.00 0.00 41.12 40.16 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2eef s PHE 17 N -0.73 -0.31 0.17 -0.67 -0.12 -1.26 -4.95 117.98 110.11 2eef s PHE 17 Ca 0.13 0.75 -0.31 0.00 -0.05 0.00 0.00 56.93 57.44 2eef s PHE 17 Cb 0.11 0.08 -0.10 0.00 -0.63 0.00 0.00 43.02 42.47 2eef s PHE 17 CO 0.02 -0.19 1.53 -1.12 -0.05 0.00 0.00 175.22 175.41 2eef s SER 18 N 0.73 6.62 0.08 1.98 0.01 -1.26 -4.87 113.70 116.99 2eef s SER 18 Ca -0.05 2.59 -0.25 0.00 1.31 0.00 0.00 55.95 59.56 2eef s SER 18 Cb -0.06 -2.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.43 2eef s SER 18 CO -0.04 -0.79 0.58 0.00 0.41 0.00 0.00 173.24 173.40 2eef n GLN 19 N 3.68 0.00 -0.07 12.44 1.13 -1.26 -4.86 117.38 128.44 2eef n GLN 19 Ca 0.12 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.05 2eef n GLN 19 Cb 0.39 -0.92 -0.06 0.00 0.11 0.00 0.00 30.24 29.77 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 1.43 0.50 -1.02 -1.09 0.13 -1.80 -3.15 132.00 126.99 2eef h PRO 20 Ca -0.29 -0.26 0.25 0.00 -0.87 0.00 0.00 66.00 64.83 2eef h PRO 20 Cb 1.07 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.11 2eef h PRO 20 CO 0.45 0.84 0.65 1.03 -0.23 0.00 0.00 178.00 180.73 2eef h SER 21 N 0.18 0.53 -0.88 1.44 0.87 -1.69 -1.11 113.55 112.88 2eef h SER 21 Ca 0.03 0.10 0.27 0.00 -1.23 0.00 0.00 61.79 60.96 2eef h SER 21 Cb 0.74 0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 62.55 2eef h SER 21 CO 0.05 0.11 0.11 0.00 -0.53 0.00 0.00 176.83 176.57 2eef n ALA 22 N -2.42 0.54 -3.34 6.23 0.00 -1.19 -3.05 120.51 117.28 2eef n ALA 22 Ca 0.25 0.94 -0.46 0.00 0.00 0.00 0.00 53.44 54.17 2eef n ALA 22 Cb 0.82 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.92 6.30 0.28 0.00 1.11 -0.42 -4.92 116.67 114.11 2eef s ASP 23 Ca -0.11 -2.09 -0.03 0.00 0.18 0.00 0.00 52.55 50.50 2eef s ASP 23 Cb 0.27 -2.19 0.37 0.00 1.07 0.00 0.00 42.92 42.44 2eef s ASP 23 CO 0.69 -0.75 1.94 0.22 1.18 0.00 0.00 175.17 178.45 2eef h TYR 24 N 8.48 1.11 0.34 4.23 3.20 -1.78 0.15 116.97 132.70 2eef h TYR 24 Ca -0.17 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2eef h TYR 24 Cb 1.08 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2eef h TYR 24 CO 0.81 0.72 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.82 2eef h LEU 25 N 1.19 -0.38 -2.11 2.82 -0.00 -1.91 0.12 115.31 115.04 2eef h LEU 25 Ca 0.32 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 58.28 2eef h LEU 25 Cb -0.11 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2eef h LEU 25 CO -0.07 -0.04 0.32 -0.78 -0.00 0.00 0.00 178.44 177.87 2eef h ASP 26 N -0.91 0.00 0.00 -0.43 1.82 -1.93 -1.29 116.42 113.67 2eef h ASP 26 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2eef h ASP 26 Cb 0.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2eef h ASP 26 CO 0.08 0.00 -0.12 0.15 -1.61 0.00 0.00 179.24 177.73 2eef h PHE 27 N 0.00 0.00 -1.11 0.28 3.04 -0.71 -3.33 116.94 115.11 2eef h PHE 27 Ca 0.12 0.00 0.32 0.00 3.98 0.00 0.00 57.97 62.39 2eef h PHE 27 Cb 0.76 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.16 2eef h PHE 27 CO 0.00 0.00 0.71 0.07 -2.02 0.00 0.00 178.31 177.07 2eef h ARG 28 N -0.86 0.30 -0.84 1.11 0.11 -0.45 0.57 114.38 114.33 2eef h ARG 28 Ca 0.00 -0.02 0.07 0.00 0.10 0.00 0.00 59.98 60.14 2eef h ARG 28 Cb 0.12 -0.07 -0.06 0.00 1.11 0.00 0.00 29.97 31.08 2eef h ARG 28 CO 0.00 0.20 0.54 -0.91 0.10 0.00 0.00 179.97 179.90 2eef h ASN 29 N 0.31 0.78 0.41 0.08 2.35 -1.39 0.07 115.58 118.19 2eef h ASN 29 Ca 0.67 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 56.25 2eef h ASN 29 Cb 1.80 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 40.01 2eef h ASN 29 CO -0.36 0.49 -0.76 0.03 -1.65 0.00 0.00 177.43 175.19 2eef h ARG 30 N 0.88 0.28 0.00 0.81 2.47 0.03 0.52 114.38 119.37 2eef h ARG 30 Ca 0.37 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2eef h ARG 30 Cb 0.29 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2eef h ARG 30 CO -0.14 0.91 0.00 -0.11 0.56 0.00 0.00 179.97 181.19 2eef n LEU 31 N -3.78 0.00 -0.08 3.04 7.94 -0.51 -0.02 117.00 123.60 2eef n LEU 31 Ca -0.04 0.45 -0.10 0.00 -1.11 0.00 0.00 56.01 55.22 2eef n LEU 31 Cb 0.72 -0.45 -0.10 0.00 0.53 0.00 0.00 43.42 44.12 2eef n LEU 31 CO 0.47 -0.02 -1.03 1.67 -1.11 0.00 0.00 177.39 177.37 2eef n GLN 32 N -1.45 1.06 -0.02 1.96 -0.06 -0.11 -3.05 117.38 115.71 2eef n GLN 32 Ca 0.08 0.05 -0.05 0.00 -2.00 0.00 0.00 57.00 55.08 2eef n GLN 32 Cb 0.30 -1.37 -0.13 0.00 -4.06 0.00 0.00 30.24 24.99 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2eef n ALA 33 N -2.78 1.73 0.39 1.69 0.00 0.16 -4.32 120.51 117.38 2eef n ALA 33 Ca -0.28 -0.83 0.04 0.00 0.00 0.00 0.00 53.44 52.38 2eef n ALA 33 Cb 0.90 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.86 0.68 -2.33 0.00 2.03 0.98 -4.99 116.55 110.05 2eef n ASP 34 Ca -0.18 -0.64 -0.20 0.00 0.52 0.00 0.00 54.79 54.28 2eef n ASP 34 Cb 0.98 1.04 -0.01 0.00 -0.72 0.00 0.00 41.12 42.41 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2eef n HIS 35 N -1.28 -0.97 -3.65 -0.67 8.25 -0.89 -4.76 115.22 111.25 2eef n HIS 35 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.43 2eef n HIS 35 Cb 0.15 -3.92 -0.07 0.00 1.12 0.00 0.00 29.99 27.28 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -3.02 0.00 -0.26 1.59 0.11 -1.20 -3.41 120.40 114.21 2eef s VAL 36 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 2eef s VAL 36 Cb 0.00 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.95 2eef s VAL 36 CO 0.00 0.00 0.90 0.00 -3.33 0.00 0.00 175.10 172.67 2eef s LEU 38 N 0.14 4.19 0.00 0.00 2.96 -1.26 -0.37 118.68 124.34 2eef s LEU 38 Ca 0.01 1.58 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 2eef s LEU 38 Cb -0.04 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2eef s LEU 38 CO -0.02 -0.63 0.18 1.21 -1.32 0.00 0.00 176.35 175.77 2eef n GLU 39 N 5.91 0.00 -4.37 1.98 2.13 -0.56 -4.26 120.64 121.46 2eef n GLU 39 Ca 0.12 0.41 -0.19 0.00 0.66 0.00 0.00 57.16 58.16 2eef n GLU 39 Cb 0.46 -1.01 -0.14 0.00 0.27 0.00 0.00 31.44 31.02 2eef n GLU 39 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2eef s ASN 40 N -2.52 1.25 -0.12 4.31 4.22 -1.23 -2.74 114.94 118.12 2eef s ASN 40 Ca 0.00 -0.27 -0.03 0.00 -2.14 0.00 0.00 52.86 50.42 2eef s ASN 40 Cb 0.00 -0.11 0.04 0.00 1.28 0.00 0.00 41.25 42.46 2eef s ASN 40 CO 0.00 0.08 0.06 0.00 -2.04 0.00 0.00 177.10 175.19 2eef s VAL 42 N 2.08 4.34 -0.18 0.00 -7.23 0.60 -4.97 120.40 115.03 2eef s VAL 42 Ca 0.03 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2eef s VAL 42 Cb -0.14 -3.35 0.05 0.00 0.56 0.00 0.00 36.38 33.50 2eef s VAL 42 CO -0.06 -0.35 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.15 2eef s LEU 43 N -3.83 1.55 0.00 1.32 0.20 -1.26 -1.90 118.68 114.76 2eef s LEU 43 Ca 0.33 -0.79 -0.04 0.00 0.69 0.00 0.00 54.13 54.32 2eef s LEU 43 Cb -0.08 -0.80 0.09 0.00 -0.43 0.00 0.00 46.19 44.98 2eef s LEU 43 CO 0.25 -0.25 0.58 0.29 -0.29 0.00 0.00 176.35 176.93 2eef n LYS 44 N 4.93 -0.14 -0.03 1.98 4.01 0.29 -4.77 118.16 124.44 2eef n LYS 44 Ca -0.10 -1.24 -0.01 0.00 -0.51 0.00 0.00 58.31 56.44 2eef n LYS 44 Cb 0.47 -0.49 -0.01 0.00 -0.51 0.00 0.00 35.03 34.49 2eef n LYS 44 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2eef h ASP 45 N -0.55 -0.18 -0.01 4.39 3.32 -1.96 -3.26 116.42 118.17 2eef h ASP 45 Ca -0.19 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 2eef h ASP 45 Cb 0.61 0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.10 2eef h ASP 45 CO 0.17 -0.03 -0.70 2.29 -1.72 0.00 0.00 179.24 179.26 2eef n LYS 46 N -3.10 1.04 -4.06 3.56 -0.00 -1.26 -4.52 118.16 109.81 2eef n LYS 46 Ca -0.00 -2.85 -0.12 0.00 -0.00 0.00 0.00 58.31 55.34 2eef n LYS 46 Cb 0.03 -1.05 -0.05 0.00 -0.00 0.00 0.00 35.03 33.95 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2eef s ALA 47 N -2.09 0.40 0.13 0.58 0.00 -1.23 0.14 121.76 119.68 2eef s ALA 47 Ca 0.37 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2eef s ALA 47 Cb 0.38 1.15 -0.01 0.00 0.00 0.00 0.00 23.12 24.63 2eef s ALA 47 CO -0.10 -0.79 0.19 0.96 0.00 0.00 0.00 175.76 176.01 2eef s ILE 48 N -3.57 0.11 -0.24 0.00 -4.36 -0.17 0.11 121.20 113.08 2eef s ILE 48 Ca 0.28 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 59.10 2eef s ILE 48 Cb 0.00 -1.71 0.08 0.00 1.25 0.00 0.00 42.46 42.09 2eef s ILE 48 CO 0.15 -0.49 0.57 0.00 0.24 0.00 0.00 174.94 175.40 2eef s ALA 49 N -3.95 -1.56 -0.07 2.27 0.00 -0.80 -3.06 121.76 114.59 2eef s ALA 49 Ca 0.14 2.03 -0.22 0.00 0.00 0.00 0.00 51.96 53.91 2eef s ALA 49 Cb 0.05 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.90 2eef s ALA 49 CO -0.04 -0.48 0.51 0.20 0.00 0.00 0.00 175.76 175.96 2eef s GLY 50 N 1.88 -0.38 -0.15 0.00 0.00 -0.95 -0.29 107.32 107.43 2eef s GLY 50 Ca -0.08 1.00 -0.02 0.00 0.00 0.00 0.00 44.72 45.62 2eef s GLY 50 CO -0.17 0.73 -0.09 -0.51 0.00 0.00 0.00 173.10 173.06 2eef s THR 51 N -0.90 3.36 0.03 0.90 -4.23 -0.78 -1.18 115.64 112.84 2eef s THR 51 Ca -0.09 -0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2eef s THR 51 Cb -0.03 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2eef s THR 51 CO 0.06 0.50 0.14 -0.69 -0.54 0.00 0.00 174.62 174.09 2eef s VAL 52 N 0.53 5.07 0.06 2.29 1.01 -0.51 -1.50 120.40 127.35 2eef s VAL 52 Ca -0.06 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2eef s VAL 52 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2eef s VAL 52 CO 0.03 0.25 0.13 -0.54 0.00 0.00 0.00 175.10 174.97 2eef s LYS 53 N -2.11 3.12 0.03 2.72 -0.14 0.50 -2.54 119.74 121.33 2eef s LYS 53 Ca 0.28 -0.56 -0.09 0.00 -1.36 0.00 0.00 55.97 54.24 2eef s LYS 53 Cb -0.12 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.16 2eef s LYS 53 CO 0.20 0.60 0.17 0.14 -0.76 0.00 0.00 175.35 175.70 2eef s VAL 54 N -1.41 0.10 0.25 3.17 -7.23 -1.26 -2.08 120.40 111.94 2eef s VAL 54 Ca 0.31 -0.86 -0.29 0.00 -1.81 0.00 0.00 61.98 59.33 2eef s VAL 54 Cb -0.12 -0.77 -0.09 0.00 0.56 0.00 0.00 36.38 35.95 2eef s VAL 54 CO 0.23 -0.47 0.92 -1.10 -0.31 0.00 0.00 175.10 174.37 2eef s GLN 55 N -2.21 4.76 -0.54 4.82 -0.21 -1.22 -4.56 119.66 120.50 2eef s GLN 55 Ca -0.08 1.41 -0.07 0.00 0.02 0.00 0.00 55.36 56.64 2eef s GLN 55 Cb -0.03 -3.18 -0.19 0.00 1.00 0.00 0.00 33.01 30.61 2eef s GLN 55 CO -0.02 0.48 3.36 -1.71 -2.12 0.00 0.00 175.29 175.28 2eef n ASN 56 N 1.31 6.43 0.18 5.90 5.15 -1.26 -4.55 115.26 128.43 2eef n ASN 56 Ca -0.02 -2.56 -0.13 0.00 -0.60 0.00 0.00 54.58 51.27 2eef n ASN 56 Cb 0.48 -1.45 -0.08 0.00 -0.53 0.00 0.00 39.78 38.20 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2eef h LEU 57 N 5.57 -0.41 0.00 1.20 3.38 -1.99 -3.46 115.31 119.59 2eef h LEU 57 Ca 0.42 -0.14 -0.31 0.00 0.09 0.00 0.00 57.88 57.94 2eef h LEU 57 Cb 1.08 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2eef h LEU 57 CO 0.76 -0.04 -0.18 0.00 0.09 0.00 0.00 178.44 179.07 2eef n ALA 58 N -2.50 0.35 -0.09 1.53 0.00 -1.26 -5.05 120.51 113.50 2eef n ALA 58 Ca -0.10 -1.13 -0.14 0.00 0.00 0.00 0.00 53.44 52.07 2eef n ALA 58 Cb 0.27 0.52 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 2eef n ALA 58 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2eef h PHE 59 N 0.78 0.00 -2.97 0.00 3.57 -1.98 -3.47 116.94 112.87 2eef h PHE 59 Ca -0.19 0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.68 2eef h PHE 59 Cb 0.65 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 2eef h PHE 59 CO 0.00 0.83 -0.40 -1.21 -2.23 0.00 0.00 178.31 175.30 2eef s GLU 60 N -2.27 3.85 0.33 1.11 2.02 -1.26 -5.09 118.70 117.39 2eef s GLU 60 Ca -0.22 -0.00 0.06 0.00 0.02 0.00 0.00 54.97 54.83 2eef s GLU 60 Cb 0.04 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2eef s GLU 60 CO 0.43 0.55 0.23 -1.59 0.02 0.00 0.00 175.26 174.91 2eef s LYS 61 N -0.45 1.71 -0.18 1.61 -2.85 -1.26 -4.67 119.74 113.65 2eef s LYS 61 Ca 0.16 -2.00 -0.04 0.00 -1.00 0.00 0.00 55.97 53.09 2eef s LYS 61 Cb -0.13 0.16 0.07 0.00 -2.06 0.00 0.00 37.83 35.87 2eef s LYS 61 CO 0.04 -0.59 0.15 0.99 0.10 0.00 0.00 175.35 176.05 2eef s THR 62 N -3.50 -0.20 -0.14 3.79 2.01 -0.66 -5.00 115.64 111.95 2eef s THR 62 Ca 0.38 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.26 2eef s THR 62 Cb 0.03 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 2eef s THR 62 CO 0.24 -0.23 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.11 2eef s VAL 63 N 2.23 2.90 -0.06 3.82 1.01 -1.26 -1.02 120.40 128.02 2eef s VAL 63 Ca 0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2eef s VAL 63 Cb -0.16 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2eef s VAL 63 CO -0.10 0.52 0.17 -0.54 0.00 0.00 0.00 175.10 175.14 2eef s LYS 64 N 0.56 0.23 -0.22 2.72 1.02 -1.11 -2.82 119.74 120.12 2eef s LYS 64 Ca -0.09 0.17 -0.07 0.00 0.02 0.00 0.00 55.97 56.00 2eef s LYS 64 Cb -0.16 0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 2eef s LYS 64 CO 0.04 -0.03 0.07 0.42 -0.92 0.00 0.00 175.35 174.92 2eef s ILE 65 N -0.06 4.52 -0.22 2.17 -1.09 -0.79 -2.17 121.20 123.55 2eef s ILE 65 Ca -0.02 -0.11 -0.05 0.00 -2.23 0.00 0.00 60.65 58.24 2eef s ILE 65 Cb -0.02 -3.08 -0.02 0.00 -1.58 0.00 0.00 42.46 37.77 2eef s ILE 65 CO 0.00 0.39 -0.01 0.00 -1.23 0.00 0.00 174.94 174.09 2eef s ARG 66 N 1.05 3.51 -0.02 2.79 1.70 -0.76 -2.56 118.95 124.66 2eef s ARG 66 Ca 0.04 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.74 2eef s ARG 66 Cb -0.14 -3.07 0.01 0.00 -0.57 0.00 0.00 34.95 31.18 2eef s ARG 66 CO 0.03 -0.11 -0.02 1.41 -1.08 0.00 0.00 175.30 175.53 2eef s MET 67 N 1.30 0.30 0.21 3.89 1.75 -1.26 -0.39 119.30 125.10 2eef s MET 67 Ca 0.04 -0.03 0.08 0.00 -1.25 0.00 0.00 55.69 54.53 2eef s MET 67 Cb -0.15 -0.37 -0.04 0.00 2.84 0.00 0.00 34.83 37.12 2eef s MET 67 CO 0.00 -0.02 0.01 -0.08 -0.65 0.00 0.00 175.02 174.28 2eef s THR 68 N 0.42 3.64 0.00 10.11 -1.32 -0.55 -3.93 115.64 124.00 2eef s THR 68 Ca -0.04 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2eef s THR 68 Cb -0.07 -2.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.04 2eef s THR 68 CO -0.01 -0.23 0.74 0.49 -2.21 0.00 0.00 174.62 173.41 2eef n PHE 69 N -0.48 0.00 -3.35 9.09 3.72 -1.26 -3.46 117.46 121.72 2eef n PHE 69 Ca -0.08 -0.27 -0.26 0.00 -0.05 0.00 0.00 57.45 56.79 2eef n PHE 69 Cb 0.57 -0.03 -0.08 0.00 -0.94 0.00 0.00 39.48 39.00 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2eef n ASP 70 N -0.27 0.83 -3.66 4.37 8.00 -1.25 -4.74 116.55 119.84 2eef n ASP 70 Ca 0.00 -2.77 -0.22 0.00 0.71 0.00 0.00 54.79 52.50 2eef n ASP 70 Cb 0.33 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2eef n THR 71 N 1.76 -0.51 -3.64 -3.53 -1.04 -1.16 0.23 114.28 106.40 2eef n THR 71 Ca 0.25 -0.25 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 2eef n THR 71 Cb 0.48 -0.58 0.06 0.00 -1.82 0.00 0.00 70.33 68.46 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.26 -2.20 -0.07 -1.42 7.02 -1.26 -4.91 117.44 111.34 2eef n TRP 72 Ca -0.15 0.91 -0.14 0.00 -1.02 0.00 0.00 57.50 57.10 2eef n TRP 72 Cb 0.42 -4.63 -0.14 0.00 -2.42 0.00 0.00 31.31 24.54 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -4.41 0.68 -3.17 -0.99 5.02 0.62 -4.96 118.16 110.94 2eef n LYS 73 Ca -0.20 0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.30 2eef n LYS 73 Cb 0.63 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 2eef n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2eef s SER 74 N -6.20 -0.33 0.48 4.39 0.01 -1.26 -5.08 113.70 105.71 2eef s SER 74 Ca -0.18 0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.38 2eef s SER 74 Cb 0.07 1.29 -0.01 0.00 0.21 0.00 0.00 66.02 67.58 2eef s SER 74 CO 0.76 -0.06 0.25 -0.72 0.41 0.00 0.00 173.24 173.87 2eef s TYR 75 N 2.84 2.14 -0.03 2.43 -0.85 -1.26 -4.59 117.35 118.03 2eef s TYR 75 Ca -0.03 -0.73 0.06 0.00 -0.52 0.00 0.00 57.07 55.85 2eef s TYR 75 Cb -0.09 -1.91 -0.01 0.00 0.38 0.00 0.00 41.96 40.34 2eef s TYR 75 CO -0.11 -0.07 -0.22 0.99 -1.52 0.00 0.00 175.55 174.62 2eef s THR 76 N -2.70 1.80 -0.45 -3.49 2.01 -1.25 -5.03 115.64 106.52 2eef s THR 76 Ca 0.33 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 2eef s THR 76 Cb 0.01 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2eef s THR 76 CO 0.19 0.51 1.19 -1.81 -0.69 0.00 0.00 174.62 174.01 2eef s ASP 77 N -0.31 6.59 -0.27 3.53 1.11 -1.26 -4.28 116.67 121.78 2eef s ASP 77 Ca 0.03 0.58 -0.11 0.00 0.18 0.00 0.00 52.55 53.22 2eef s ASP 77 Cb -0.11 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 2eef s ASP 77 CO 0.01 -1.27 0.21 -0.36 1.18 0.00 0.00 175.17 174.94 2eef s PHE 78 N 4.60 3.23 0.30 4.23 0.08 -1.06 -5.00 117.98 124.36 2eef s PHE 78 Ca 0.50 0.16 -0.29 0.00 0.12 0.00 0.00 56.93 57.43 2eef s PHE 78 Cb -0.09 -2.39 -0.10 0.00 -0.57 0.00 0.00 43.02 39.87 2eef s PHE 78 CO 0.31 -0.14 1.23 -1.25 -0.10 0.00 0.00 175.22 175.27 2eef s PRO 79 N 1.72 4.46 0.29 0.24 0.04 -1.26 -1.89 135.00 138.60 2eef s PRO 79 Ca 0.08 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 2eef s PRO 79 Cb -0.16 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 2eef s PRO 79 CO 0.10 -0.05 0.65 0.00 0.04 0.00 0.00 177.00 177.74 2eef s GLN 81 N -3.04 2.31 -0.17 0.00 -1.52 0.24 -4.88 119.66 112.60 2eef s GLN 81 Ca 0.50 -1.66 -0.02 0.00 -1.95 0.00 0.00 55.36 52.23 2eef s GLN 81 Cb -0.11 -2.62 -0.02 0.00 -0.22 0.00 0.00 33.01 30.05 2eef s GLN 81 CO 0.21 -0.84 -0.08 -0.47 -0.25 0.00 0.00 175.29 173.87 2eef s TYR 82 N -2.67 2.91 -0.36 0.91 5.04 -1.26 -1.98 117.35 119.94 2eef s TYR 82 Ca 0.60 -0.66 -0.13 0.00 -2.44 0.00 0.00 57.07 54.44 2eef s TYR 82 Cb -0.06 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.30 2eef s TYR 82 CO 0.38 -0.28 0.24 0.08 -1.34 0.00 0.00 175.55 174.62 2eef s VAL 83 N 0.73 5.06 -0.83 3.14 1.01 -1.04 -4.95 120.40 123.52 2eef s VAL 83 Ca -0.04 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2eef s VAL 83 Cb -0.15 -3.70 0.27 0.00 0.00 0.00 0.00 36.38 32.81 2eef s VAL 83 CO 0.02 -0.12 1.06 2.29 0.00 0.00 0.00 175.10 178.34 2eef n LYS 84 N 5.09 3.36 -4.27 2.72 2.85 -1.26 -4.62 118.16 122.02 2eef n LYS 84 Ca -0.12 -4.62 -0.18 0.00 -1.05 0.00 0.00 58.31 52.33 2eef n LYS 84 Cb 0.48 -2.37 -0.11 0.00 -0.65 0.00 0.00 35.03 32.38 2eef n LYS 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2eef s ASP 85 N -2.14 2.15 0.45 -5.58 -1.08 -1.26 -5.02 116.67 104.19 2eef s ASP 85 Ca 0.36 -0.88 0.23 0.00 -0.52 0.00 0.00 52.55 51.74 2eef s ASP 85 Cb 0.10 -0.08 1.23 0.00 -1.46 0.00 0.00 42.92 42.71 2eef s ASP 85 CO 0.04 -0.16 1.84 0.00 0.52 0.00 0.00 175.17 177.41 2eef h THR 86 N 3.24 0.58 -0.21 1.71 1.03 -1.96 0.30 112.91 117.60 2eef h THR 86 Ca -0.39 -0.09 -0.14 0.00 -0.01 0.00 0.00 66.41 65.77 2eef h THR 86 Cb 1.20 0.29 -0.01 0.00 -1.07 0.00 0.00 68.15 68.56 2eef h THR 86 CO 0.54 0.05 -0.45 1.88 -0.01 0.00 0.00 175.52 177.53 2eef h TYR 87 N 0.27 0.64 0.47 0.00 0.05 -1.98 -3.30 116.97 113.12 2eef h TYR 87 Ca 0.50 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 2eef h TYR 87 Cb 1.48 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 39.09 2eef h TYR 87 CO -0.00 0.89 -0.28 0.00 -1.05 0.00 0.00 178.16 177.71 2eef h ALA 88 N 1.08 -1.13 0.00 3.88 0.00 -0.72 -3.49 119.26 118.88 2eef h ALA 88 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2eef h ALA 88 Cb 0.95 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2eef h ALA 88 CO 0.08 -1.10 0.00 0.41 0.00 0.00 0.00 179.25 178.65 2eef n GLY 89 N -1.36 2.39 0.10 0.00 0.00 -1.12 -4.82 105.19 100.37 2eef n GLY 89 Ca -0.09 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 2eef n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eef n SER 90 N 0.00 1.89 -0.07 1.61 2.88 -1.26 -4.82 113.62 113.85 2eef n SER 90 Ca 0.00 0.44 -0.06 0.00 -1.33 0.00 0.00 58.87 57.92 2eef n SER 90 Cb 0.00 -0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 62.61 2eef n SER 90 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2eef n ASP 91 N -4.46 1.67 -4.26 -3.46 -0.08 -1.26 -4.99 116.55 99.71 2eef n ASP 91 Ca -0.24 0.48 -0.33 0.00 -1.51 0.00 0.00 54.79 53.19 2eef n ASP 91 Cb 0.55 -0.79 0.16 0.00 2.34 0.00 0.00 41.12 43.39 2eef n ASP 91 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2eef n ARG 92 N -4.32 -1.49 -4.60 -0.67 1.74 -1.26 -5.02 116.66 101.04 2eef n ARG 92 Ca -0.09 -0.42 -0.27 0.00 -0.77 0.00 0.00 57.85 56.30 2eef n ARG 92 Cb 0.33 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 2eef n ARG 92 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2eef s ASP 93 N -1.80 2.82 -0.06 0.55 1.11 -1.26 -4.73 116.67 113.30 2eef s ASP 93 Ca 0.55 -0.61 -0.01 0.00 0.18 0.00 0.00 52.55 52.65 2eef s ASP 93 Cb -0.11 -0.22 0.03 0.00 1.07 0.00 0.00 42.92 43.69 2eef s ASP 93 CO 0.66 0.17 0.02 -0.89 1.18 0.00 0.00 175.17 176.31 2eef s THR 94 N -0.92 0.23 0.24 -1.27 2.01 -1.26 -4.09 115.64 110.59 2eef s THR 94 Ca 0.10 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.33 2eef s THR 94 Cb -0.10 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2eef s THR 94 CO 0.03 0.23 0.37 -0.36 -0.69 0.00 0.00 174.62 174.20 2eef s PHE 95 N 1.92 3.46 0.14 4.92 0.40 -1.05 -2.51 117.98 125.26 2eef s PHE 95 Ca 0.03 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.48 2eef s PHE 95 Cb -0.12 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 2eef s PHE 95 CO -0.04 0.41 -0.13 -1.54 0.70 0.00 0.00 175.22 174.62 2eef s SER 96 N -3.86 2.04 -0.02 1.36 1.04 -0.84 -1.43 113.70 112.00 2eef s SER 96 Ca 0.35 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 2eef s SER 96 Cb -0.09 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 65.98 2eef s SER 96 CO 0.30 -0.19 0.04 0.72 0.98 0.00 0.00 173.24 175.09 2eef s PHE 97 N -2.56 -0.03 -0.35 5.02 -0.12 -0.33 -0.59 117.98 119.02 2eef s PHE 97 Ca 0.13 0.15 0.01 0.00 -0.05 0.00 0.00 56.93 57.16 2eef s PHE 97 Cb -0.02 -0.08 0.11 0.00 -0.63 0.00 0.00 43.02 42.40 2eef s PHE 97 CO 0.03 -0.06 0.13 -0.51 -0.05 0.00 0.00 175.22 174.76 2eef s ASP 98 N 0.49 4.05 -0.08 1.98 1.11 -1.26 -2.23 116.67 120.73 2eef s ASP 98 Ca -0.04 -1.97 -0.07 0.00 0.18 0.00 0.00 52.55 50.66 2eef s ASP 98 Cb -0.06 -1.03 -0.04 0.00 1.07 0.00 0.00 42.92 42.87 2eef s ASP 98 CO -0.02 -0.37 0.18 -0.63 1.18 0.00 0.00 175.17 175.51 2eef s ILE 99 N 1.19 5.44 -0.37 0.77 1.01 -1.17 -4.93 121.20 123.14 2eef s ILE 99 Ca 0.12 0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.77 2eef s ILE 99 Cb -0.19 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2eef s ILE 99 CO -0.16 0.53 0.50 -0.94 0.00 0.00 0.00 174.94 174.88 2eef s SER 100 N -1.28 6.29 0.70 3.58 1.04 -1.26 -1.00 113.70 121.77 2eef s SER 100 Ca 0.19 -0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.30 2eef s SER 100 Cb -0.13 -2.26 0.02 0.00 0.10 0.00 0.00 66.02 63.75 2eef s SER 100 CO 0.09 -0.51 1.23 -0.76 0.98 0.00 0.00 173.24 174.27 2eef s LEU 101 N 2.37 3.41 0.00 2.42 1.43 0.38 -4.92 118.68 123.77 2eef s LEU 101 Ca 0.18 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2eef s LEU 101 Cb -0.16 -4.60 0.16 0.00 0.03 0.00 0.00 46.19 41.63 2eef s LEU 101 CO 0.14 -2.15 0.58 -0.81 0.23 0.00 0.00 176.35 174.34 2eef n PRO 102 N -2.42 -2.16 -0.00 1.29 -0.04 -1.26 -4.76 135.00 125.64 2eef n PRO 102 Ca 0.14 -0.93 -0.12 0.00 -0.04 0.00 0.00 63.50 62.56 2eef n PRO 102 Cb 0.50 -0.87 -0.09 0.00 -0.04 0.00 0.00 33.50 32.99 2eef n PRO 102 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2eef h GLU 103 N 0.00 -0.09 -6.26 0.54 4.11 -1.96 -3.47 114.58 107.44 2eef h GLU 103 Ca -0.22 0.01 -0.58 0.00 0.07 0.00 0.00 59.36 58.64 2eef h GLU 103 Cb 0.67 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 29.74 2eef h GLU 103 CO 0.14 0.49 -0.81 0.15 0.07 0.00 0.00 179.01 179.05 2eef s LYS 104 N -3.16 1.32 -0.16 1.06 1.02 -1.26 -5.12 119.74 113.44 2eef s LYS 104 Ca -0.14 -1.38 -0.07 0.00 0.02 0.00 0.00 55.97 54.40 2eef s LYS 104 Cb -0.00 -1.54 0.07 0.00 -0.52 0.00 0.00 37.83 35.84 2eef s LYS 104 CO 0.55 0.33 0.36 0.42 -0.92 0.00 0.00 175.35 176.09 2eef s ILE 105 N -1.65 -0.39 0.33 2.17 1.01 -1.26 -5.13 121.20 116.28 2eef s ILE 105 Ca 0.15 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 2eef s ILE 105 Cb -0.08 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2eef s ILE 105 CO 0.07 0.08 0.44 0.00 0.00 0.00 0.00 174.94 175.52 2eef n GLN 106 N 5.03 0.63 0.02 2.79 1.13 -1.26 -5.00 117.38 120.73 2eef n GLN 106 Ca -0.13 -2.67 -0.11 0.00 -1.94 0.00 0.00 57.00 52.15 2eef n GLN 106 Cb 0.51 2.53 -0.06 0.00 0.11 0.00 0.00 30.24 33.33 2eef n GLN 106 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2eef h SER 107 N 1.86 -0.02 -1.34 1.08 0.87 -2.00 -2.37 113.55 111.64 2eef h SER 107 Ca -0.25 0.01 0.42 0.00 -1.23 0.00 0.00 61.79 60.74 2eef h SER 107 Cb 1.12 0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 63.00 2eef h SER 107 CO 0.34 -0.00 0.92 0.00 -0.53 0.00 0.00 176.83 177.56 2eef n TYR 108 N -5.10 0.29 -3.80 2.24 4.11 -1.26 -2.84 117.16 110.80 2eef n TYR 108 Ca -0.06 0.29 -0.30 0.00 -0.00 0.00 0.00 57.90 57.83 2eef n TYR 108 Cb 0.04 -0.70 -0.15 0.00 -0.00 0.00 0.00 39.34 38.54 2eef n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2eef s GLU 109 N -4.70 0.96 0.96 -3.48 2.02 -0.89 -4.85 118.70 108.72 2eef s GLU 109 Ca -0.05 -1.37 -0.12 0.00 0.02 0.00 0.00 54.97 53.45 2eef s GLU 109 Cb 0.23 -2.31 0.09 0.00 0.10 0.00 0.00 34.13 32.24 2eef s GLU 109 CO 0.68 -1.00 0.64 -2.13 0.02 0.00 0.00 175.26 173.48 2eef n ARG 110 N 4.55 -0.54 -3.53 1.61 3.00 -1.13 -4.34 116.66 116.29 2eef n ARG 110 Ca 0.01 -0.11 -0.19 0.00 -0.00 0.00 0.00 57.85 57.56 2eef n ARG 110 Cb 0.41 -2.03 -0.14 0.00 0.00 0.00 0.00 32.46 30.71 2eef n ARG 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2eef s MET 111 N -3.98 0.16 0.13 -0.14 -2.45 -1.26 -2.97 119.30 108.79 2eef s MET 111 Ca 0.61 0.24 -0.01 0.00 -1.25 0.00 0.00 55.69 55.27 2eef s MET 111 Cb -0.21 -1.11 -0.04 0.00 1.25 0.00 0.00 34.83 34.72 2eef s MET 111 CO 0.64 -0.60 0.07 -1.21 1.05 0.00 0.00 175.02 174.97 2eef s GLU 112 N 2.31 0.94 0.11 4.11 0.41 -1.22 -2.66 118.70 122.69 2eef s GLU 112 Ca 0.06 -1.43 -0.11 0.00 -0.41 0.00 0.00 54.97 53.08 2eef s GLU 112 Cb -0.15 0.25 0.01 0.00 -1.78 0.00 0.00 34.13 32.45 2eef s GLU 112 CO -0.11 -0.27 0.26 -0.59 -0.49 0.00 0.00 175.26 174.06 2eef s PHE 113 N -4.05 0.11 0.07 1.61 -0.12 -1.25 -1.48 117.98 112.88 2eef s PHE 113 Ca 0.24 -0.51 -0.06 0.00 -0.05 0.00 0.00 56.93 56.56 2eef s PHE 113 Cb 0.07 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 2eef s PHE 113 CO 0.02 -0.62 0.10 0.00 -0.05 0.00 0.00 175.22 174.67 2eef s ALA 114 N -3.87 0.05 -0.10 1.99 0.00 0.48 -3.60 121.76 116.72 2eef s ALA 114 Ca 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 2eef s ALA 114 Cb 0.04 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2eef s ALA 114 CO -0.09 -0.43 0.04 0.08 0.00 0.00 0.00 175.76 175.36 2eef s VAL 115 N -3.70 4.69 -0.36 0.00 1.01 -0.20 -1.84 120.40 119.99 2eef s VAL 115 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2eef s VAL 115 Cb 0.05 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.54 2eef s VAL 115 CO -0.10 0.61 0.11 -0.47 0.00 0.00 0.00 175.10 175.25 2eef s TYR 116 N -0.91 2.72 -0.30 5.22 5.04 -0.92 -1.90 117.35 126.29 2eef s TYR 116 Ca 0.14 -2.48 -0.11 0.00 -2.44 0.00 0.00 57.07 52.18 2eef s TYR 116 Cb -0.12 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.83 2eef s TYR 116 CO 0.03 -0.88 0.19 -0.47 -1.34 0.00 0.00 175.55 173.08 2eef s TYR 117 N 0.98 3.21 -0.11 4.97 5.04 -0.49 -2.76 117.35 128.18 2eef s TYR 117 Ca 0.12 -0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.62 2eef s TYR 117 Cb -0.20 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 2eef s TYR 117 CO -0.12 -0.28 -0.04 -2.00 -1.34 0.00 0.00 175.55 171.77 2eef s GLU 118 N 1.72 3.25 -0.28 4.97 -6.30 -0.19 -0.65 118.70 121.22 2eef s GLU 118 Ca 0.06 -0.52 -0.26 0.00 -2.50 0.00 0.00 54.97 51.76 2eef s GLU 118 Cb -0.16 -2.78 0.16 0.00 0.00 0.00 0.00 34.13 31.34 2eef s GLU 118 CO 0.10 0.45 1.23 0.00 0.02 0.00 0.00 175.26 177.06 2eef n ASN 120 N 1.65 -2.43 -3.22 0.00 3.02 -1.26 -1.56 115.26 111.46 2eef n ASN 120 Ca -0.10 -0.73 -0.22 0.00 -0.03 0.00 0.00 54.58 53.49 2eef n ASN 120 Cb 0.57 -4.42 0.01 0.00 -0.61 0.00 0.00 39.78 35.33 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.52 -0.50 3.46 7.41 0.00 -1.26 -4.95 105.19 107.84 2eef n GLY 121 Ca -0.22 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -5.88 1.71 -0.07 1.61 -1.52 -0.60 -5.15 119.66 109.76 2eef s GLN 122 Ca 0.35 -1.98 -0.03 0.00 -1.95 0.00 0.00 55.36 51.76 2eef s GLN 122 Cb -0.18 -0.76 0.04 0.00 -0.22 0.00 0.00 33.01 31.89 2eef s GLN 122 CO 0.43 -0.28 0.08 0.99 -0.25 0.00 0.00 175.29 176.27 2eef s THR 123 N -3.31 -0.13 -0.17 -0.19 2.01 -1.26 -2.90 115.64 109.69 2eef s THR 123 Ca 0.33 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.60 2eef s THR 123 Cb 0.07 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 2eef s THR 123 CO 0.15 0.09 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.82 2eef s TYR 124 N 2.18 3.01 -0.24 4.92 2.02 0.17 -4.99 117.35 124.43 2eef s TYR 124 Ca 0.04 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.30 2eef s TYR 124 Cb -0.13 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2eef s TYR 124 CO -0.05 -0.13 -0.01 -1.58 -1.57 0.00 0.00 175.55 172.22 2eef s TRP 125 N 0.59 3.01 -0.30 2.71 0.52 -1.26 -1.39 118.94 122.82 2eef s TRP 125 Ca -0.03 -0.93 0.03 0.00 0.02 0.00 0.00 56.10 55.19 2eef s TRP 125 Cb -0.14 -2.14 0.08 0.00 -1.15 0.00 0.00 33.47 30.12 2eef s TRP 125 CO 0.02 -0.54 -0.02 0.34 0.02 0.00 0.00 176.95 176.78 2eef s ASP 126 N 1.49 4.52 -0.20 2.95 2.15 -0.80 -4.96 116.67 121.82 2eef s ASP 126 Ca 0.05 -1.76 -0.02 0.00 0.43 0.00 0.00 52.55 51.25 2eef s ASP 126 Cb -0.15 -1.51 0.06 0.00 -0.30 0.00 0.00 42.92 41.02 2eef s ASP 126 CO -0.02 -0.30 0.01 -0.55 -0.17 0.00 0.00 175.17 174.15 2eef s SER 127 N 1.06 3.07 0.00 -0.34 0.15 -1.26 -1.04 113.70 115.35 2eef s SER 127 Ca 0.02 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2eef s SER 127 Cb -0.19 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 2eef s SER 127 CO -0.08 -0.28 0.00 -0.46 1.20 0.00 0.00 173.24 173.62 2eef n ASN 128 N 4.97 -0.73 -3.09 5.45 0.23 -1.26 -1.39 115.26 119.43 2eef n ASN 128 Ca -0.10 0.37 -0.19 0.00 -0.53 0.00 0.00 54.58 54.13 2eef n ASN 128 Cb 0.47 -0.78 -0.04 0.00 -2.08 0.00 0.00 39.78 37.34 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2eef n ARG 129 N -1.93 -0.89 0.00 -3.83 -4.01 -1.26 -4.34 116.66 100.40 2eef n ARG 129 Ca 0.00 0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.87 2eef n ARG 129 Cb 0.37 -2.13 0.00 0.00 -3.04 0.00 0.00 32.46 27.66 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2eef n GLY 130 N -1.05 -0.51 0.37 2.89 0.00 -0.49 -5.08 105.19 101.33 2eef n GLY 130 Ca -0.00 0.53 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.29 -3.59 1.61 5.02 -1.26 -5.02 118.16 115.20 2eef n LYS 131 Ca 0.00 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 2eef n LYS 131 Cb 0.00 -0.98 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 2eef n LYS 131 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2eef s ASN 132 N -5.60 -0.58 -1.10 4.39 -0.87 -1.26 -4.92 114.94 104.99 2eef s ASN 132 Ca -0.16 0.92 -0.26 0.00 -1.57 0.00 0.00 52.86 51.80 2eef s ASN 132 Cb 0.02 0.87 -0.18 0.00 -0.02 0.00 0.00 41.25 41.94 2eef s ASN 132 CO 0.24 -0.33 2.07 -0.31 -2.57 0.00 0.00 177.10 176.20 2eef s TYR 133 N -0.32 1.43 0.04 2.20 2.02 -1.24 -4.75 117.35 116.73 2eef s TYR 133 Ca -0.02 1.77 -0.30 0.00 -0.37 0.00 0.00 57.07 58.14 2eef s TYR 133 Cb -0.03 -3.52 -0.08 0.00 -0.40 0.00 0.00 41.96 37.93 2eef s TYR 133 CO 0.01 -0.86 1.74 0.50 -1.57 0.00 0.00 175.55 175.37 2eef s ARG 134 N 7.90 4.18 -0.35 -0.62 3.52 -1.26 -3.78 118.95 128.53 2eef s ARG 134 Ca 0.78 2.39 0.01 0.00 -0.13 0.00 0.00 55.73 58.77 2eef s ARG 134 Cb -0.04 -3.80 0.09 0.00 -1.56 0.00 0.00 34.95 29.64 2eef s ARG 134 CO 0.16 -0.82 0.08 0.42 -0.81 0.00 0.00 175.30 174.33 2eef s ILE 135 N 3.34 2.72 0.68 4.11 1.01 -1.09 -2.15 121.20 129.82 2eef s ILE 135 Ca 0.77 -2.03 0.04 0.00 0.00 0.00 0.00 60.65 59.44 2eef s ILE 135 Cb -0.40 -2.85 0.12 0.00 0.01 0.00 0.00 42.46 39.35 2eef s ILE 135 CO 0.34 -0.50 0.93 0.27 0.00 0.00 0.00 174.94 175.98 2eef s ILE 136 N 1.06 2.05 0.74 2.92 -4.36 -0.77 -4.74 121.20 118.09 2eef s ILE 136 Ca 0.06 -0.78 -0.11 0.00 -0.26 0.00 0.00 60.65 59.55 2eef s ILE 136 Cb -0.21 -2.27 0.04 0.00 1.25 0.00 0.00 42.46 41.28 2eef s ILE 136 CO -0.05 0.00 1.11 -0.60 0.24 0.00 0.00 174.94 175.64 2eef s ARG 137 N -4.97 2.52 0.15 0.37 3.52 -1.26 -0.65 118.95 118.63 2eef s ARG 137 Ca 0.65 0.28 -0.07 0.00 -0.13 0.00 0.00 55.73 56.47 2eef s ARG 137 Cb -0.05 -2.02 -0.02 0.00 -1.56 0.00 0.00 34.95 31.31 2eef s ARG 137 CO 0.43 -1.22 1.40 0.00 -0.81 0.00 0.00 175.30 175.10 2eef h ALA 138 N -0.77 0.51 -0.64 6.12 0.00 -1.51 -3.07 119.26 119.90 2eef h ALA 138 Ca -0.45 -0.57 0.18 0.00 0.00 0.00 0.00 54.91 54.07 2eef h ALA 138 Cb 1.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2eef h ALA 138 CO 0.64 0.71 0.53 1.05 0.00 0.00 0.00 179.25 182.19 2eef h GLU 139 N 0.45 0.00 -5.33 0.00 4.11 -1.95 -3.38 114.58 108.49 2eef h GLU 139 Ca -0.02 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.76 2eef h GLU 139 Cb 1.27 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.29 2eef h GLU 139 CO 0.13 0.00 -0.70 -0.51 0.07 0.00 0.00 179.01 178.00 2eef s LEU 140 N -8.04 3.05 -0.21 3.06 1.43 -1.16 -5.09 118.68 111.72 2eef s LEU 140 Ca -0.05 -0.20 -0.32 0.00 -1.03 0.00 0.00 54.13 52.53 2eef s LEU 140 Cb 0.18 -1.72 0.15 0.00 0.03 0.00 0.00 46.19 44.84 2eef s LEU 140 CO 0.66 0.17 1.21 -0.75 0.23 0.00 0.00 176.35 177.87 2eef s LYS 141 N 0.32 0.30 0.03 1.70 2.47 -1.26 -4.61 119.74 118.68 2eef s LYS 141 Ca -0.06 -0.02 -0.28 0.00 -1.56 0.00 0.00 55.97 54.05 2eef s LYS 141 Cb -0.15 0.14 0.10 0.00 -1.46 0.00 0.00 37.83 36.46 2eef s LYS 141 CO 0.04 -0.11 1.22 0.45 0.16 0.00 0.00 175.35 177.11 2eef s SER 142 N -1.55 -0.05 0.01 1.43 0.15 -1.26 -5.18 113.70 107.24 2eef s SER 142 Ca 0.07 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2eef s SER 142 Cb -0.01 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 2eef s SER 142 CO -0.04 -0.46 -0.02 0.28 1.20 0.00 0.00 173.24 174.20 2eef s THR 143 N -2.43 0.11 0.06 6.45 -1.32 -1.26 -5.06 115.64 112.18 2eef s THR 143 Ca 0.18 -0.46 -0.02 0.00 -1.21 0.00 0.00 61.69 60.18 2eef s THR 143 Cb 0.02 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 2eef s THR 143 CO -0.01 -0.22 0.01 0.00 -2.21 0.00 0.00 174.62 172.18 2eef s GLN 144 N -0.71 0.64 0.00 7.08 -2.07 -1.26 -5.14 119.66 118.20 2eef s GLN 144 Ca -0.07 -1.17 0.00 0.00 -1.82 0.00 0.00 55.36 52.30 2eef s GLN 144 Cb -0.05 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 2eef s GLN 144 CO -0.00 -0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 2eef n GLY 145 N 0.10 3.91 3.58 2.60 0.00 -1.26 -5.14 105.19 108.97 2eef n GLY 145 Ca -0.14 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 2eef n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2eef s MET 146 N -4.39 1.97 -0.81 1.61 1.75 -1.26 -5.00 119.30 113.17 2eef s MET 146 Ca 0.00 -1.73 -0.25 0.00 -1.25 0.00 0.00 55.69 52.47 2eef s MET 146 Cb 0.00 -1.89 -0.18 0.00 2.84 0.00 0.00 34.83 35.60 2eef s MET 146 CO 0.00 0.23 2.17 0.25 -0.65 0.00 0.00 175.02 177.02 2eef n THR 147 N -0.83 0.00 -3.62 10.11 -2.24 -1.26 -4.86 114.28 111.58 2eef n THR 147 Ca -0.05 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 2eef n THR 147 Cb 0.61 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 2eef n THR 147 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2eef s LYS 148 N 7.25 3.77 0.85 -0.78 0.00 -1.26 -5.09 119.74 124.48 2eef s LYS 148 Ca 1.10 0.24 -0.11 0.00 0.00 0.00 0.00 55.97 57.20 2eef s LYS 148 Cb -1.01 -3.20 0.10 0.00 0.00 0.00 0.00 37.83 33.72 2eef s LYS 148 CO 0.40 0.71 1.09 -1.25 0.00 0.00 0.00 175.35 176.30 2eef s PRO 149 N -1.11 1.61 0.28 1.78 0.04 -1.26 -5.08 135.00 131.25 2eef s PRO 149 Ca 0.22 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.24 2eef s PRO 149 Cb -0.15 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2eef s PRO 149 CO 0.11 -2.03 0.02 -3.38 0.04 0.00 0.00 177.00 171.76 2eef s HIS 150 N -2.92 1.77 0.27 0.56 -3.43 -1.26 -5.17 115.29 105.11 2eef s HIS 150 Ca 0.63 -0.92 0.06 0.00 -0.80 0.00 0.00 55.06 54.03 2eef s HIS 150 Cb -0.18 -1.08 -0.06 0.00 -1.43 0.00 0.00 32.58 29.84 2eef s HIS 150 CO 0.57 0.00 -0.06 -1.12 -2.00 0.00 0.00 174.74 172.13 2eef s SER 151 N -3.40 2.69 -0.31 7.38 0.01 -1.26 -5.13 113.70 113.68 2eef s SER 151 Ca 0.32 -1.19 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 2eef s SER 151 Cb 0.07 -0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.25 2eef s SER 151 CO 0.12 -0.35 0.15 -0.83 0.41 0.00 0.00 173.24 172.74 2eef s GLY 152 N -3.43 0.67 1.00 3.44 0.00 -1.26 -5.14 107.32 102.60 2eef s GLY 152 Ca 0.29 -1.40 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 2eef s GLY 152 CO 0.12 2.03 0.89 -1.55 0.00 0.00 0.00 173.10 174.58 2eef n PRO 153 N 4.81 -2.76 -3.58 2.90 -0.04 -1.26 -5.10 135.00 129.97 2eef n PRO 153 Ca 0.00 -1.42 -0.10 0.00 -0.04 0.00 0.00 63.50 61.94 2eef n PRO 153 Cb 0.40 -1.33 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2eef n PRO 153 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2eef s ASP 154 N -3.90 -0.35 1.16 3.54 -1.08 -1.26 -5.17 116.67 109.61 2eef s ASP 154 Ca 0.58 0.40 -0.17 0.00 -0.52 0.00 0.00 52.55 52.84 2eef s ASP 154 Cb -0.06 0.30 0.26 0.00 -1.46 0.00 0.00 42.92 41.96 2eef s ASP 154 CO 0.44 -0.32 0.58 0.00 0.52 0.00 0.00 175.17 176.39 2eef n LEU 155 N 0.76 0.00 0.00 -1.34 -0.00 -1.26 -5.38 117.00 109.78 2eef n LEU 155 Ca -0.10 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.32 2eef n LEU 155 Cb 0.58 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 2eef n LEU 155 CO 0.15 -2.57 0.00 0.61 -0.00 0.00 0.00 177.39 175.58