#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 -0.47 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.16 2cr5 s SER 2 Ca 0.00 -0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 2cr5 s SER 2 Cb 0.00 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2cr5 s SER 2 CO 0.00 -0.90 0.71 -0.94 0.98 0.00 0.00 173.24 173.09 2cr5 s SER 3 N -2.70 -0.99 -0.48 7.02 1.04 -1.26 -5.10 113.70 111.23 2cr5 s SER 3 Ca 0.03 1.44 0.05 0.00 0.48 0.00 0.00 55.95 57.95 2cr5 s SER 3 Cb -0.01 1.88 0.21 0.00 0.10 0.00 0.00 66.02 68.19 2cr5 s SER 3 CO -0.10 -0.21 0.84 0.61 0.98 0.00 0.00 173.24 175.36 2cr5 n GLY 4 N 4.93 -0.64 3.62 7.32 0.00 -1.26 -5.14 105.19 114.02 2cr5 n GLY 4 Ca -0.15 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 2cr5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr5 s SER 5 N 0.23 -0.49 -0.16 1.61 1.04 -1.26 -5.16 113.70 109.51 2cr5 s SER 5 Ca 0.29 0.89 0.01 0.00 0.48 0.00 0.00 55.95 57.62 2cr5 s SER 5 Cb 0.08 0.88 0.01 0.00 0.10 0.00 0.00 66.02 67.08 2cr5 s SER 5 CO -0.11 -0.21 -0.18 -0.44 0.98 0.00 0.00 173.24 173.29 2cr5 s SER 6 N 0.00 3.43 0.00 7.02 0.01 -1.26 -4.80 113.70 118.10 2cr5 s SER 6 Ca 0.01 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2cr5 s SER 6 Cb -0.04 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2cr5 s SER 6 CO -0.03 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2cr5 n GLY 7 N 4.20 0.57 3.28 3.44 0.00 -1.26 -5.12 105.19 110.30 2cr5 n GLY 7 Ca -0.20 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 2cr5 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr5 s GLU 8 N -2.47 1.12 -0.15 1.61 1.03 -1.26 -5.13 118.70 113.44 2cr5 s GLU 8 Ca 0.00 -1.21 -0.15 0.00 0.03 0.00 0.00 54.97 53.64 2cr5 s GLU 8 Cb 0.00 -1.25 -0.05 0.00 -0.80 0.00 0.00 34.13 32.03 2cr5 s GLU 8 CO 0.00 0.28 0.32 0.54 -1.33 0.00 0.00 175.26 175.07 2cr5 s VAL 9 N -1.52 5.29 1.16 1.83 0.11 -1.26 -5.09 120.40 120.92 2cr5 s VAL 9 Ca 0.08 0.62 -0.19 0.00 -2.93 0.00 0.00 61.98 59.55 2cr5 s VAL 9 Cb -0.08 -3.66 0.29 0.00 -1.53 0.00 0.00 36.38 31.39 2cr5 s VAL 9 CO 0.04 0.38 1.03 -0.81 -3.33 0.00 0.00 175.10 172.41 2cr5 n PRO 10 N 3.60 -3.04 -4.49 1.54 -0.04 -1.26 -5.08 135.00 126.23 2cr5 n PRO 10 Ca -0.11 -1.64 -0.21 0.00 -0.04 0.00 0.00 63.50 61.50 2cr5 n PRO 10 Cb 0.52 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2cr5 n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cr5 s ASP 11 N -4.27 1.38 0.47 3.54 1.01 -1.26 -5.13 116.67 112.41 2cr5 s ASP 11 Ca 0.67 -0.21 -0.24 0.00 0.71 0.00 0.00 52.55 53.47 2cr5 s ASP 11 Cb -0.07 -0.27 -0.07 0.00 1.01 0.00 0.00 42.92 43.52 2cr5 s ASP 11 CO 0.51 0.11 1.39 -0.76 0.21 0.00 0.00 175.17 176.64 2cr5 s LEU 12 N -0.04 4.05 0.81 1.23 1.43 -1.26 -4.99 118.68 119.91 2cr5 s LEU 12 Ca 0.00 2.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 2cr5 s LEU 12 Cb -0.07 -4.03 0.08 0.00 0.03 0.00 0.00 46.19 42.20 2cr5 s LEU 12 CO 0.00 -1.24 1.09 -2.16 0.23 0.00 0.00 176.35 174.27 2cr5 s PRO 13 N -2.55 1.96 -0.08 1.29 0.04 -1.26 -4.91 135.00 129.49 2cr5 s PRO 13 Ca 0.63 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 2cr5 s PRO 13 Cb -0.42 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 2cr5 s PRO 13 CO 0.53 -1.82 2.08 0.39 0.04 0.00 0.00 177.00 178.22 2cr5 n GLU 14 N -3.63 2.45 -1.95 4.56 4.71 -1.26 -4.92 120.64 120.60 2cr5 n GLU 14 Ca 0.08 0.82 -0.40 0.00 -0.01 0.00 0.00 57.16 57.65 2cr5 n GLU 14 Cb 0.54 -3.09 -0.00 0.00 -1.01 0.00 0.00 31.44 27.87 2cr5 n GLU 14 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2cr5 s GLU 15 N 5.27 4.03 0.11 3.49 8.01 -1.26 -4.95 118.70 133.41 2cr5 s GLU 15 Ca 0.94 2.33 -0.31 0.00 0.01 0.00 0.00 54.97 57.95 2cr5 s GLU 15 Cb -0.41 -2.86 -0.08 0.00 -4.31 0.00 0.00 34.13 26.47 2cr5 s GLU 15 CO 0.40 -0.50 1.36 -1.25 0.01 0.00 0.00 175.26 175.28 2cr5 s PRO 16 N -2.15 4.34 0.90 0.39 0.04 -1.26 -5.01 135.00 132.24 2cr5 s PRO 16 Ca 0.55 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.52 2cr5 s PRO 16 Cb -0.42 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.00 2cr5 s PRO 16 CO 0.55 -0.41 1.09 -1.12 0.04 0.00 0.00 177.00 177.16 2cr5 s SER 17 N 1.04 3.40 0.00 6.66 0.01 -1.26 -4.55 113.70 119.00 2cr5 s SER 17 Ca 0.63 1.66 0.11 0.00 1.31 0.00 0.00 55.95 59.66 2cr5 s SER 17 Cb -0.36 -2.31 0.58 0.00 0.21 0.00 0.00 66.02 64.14 2cr5 s SER 17 CO 0.31 -2.71 1.20 -1.84 0.41 0.00 0.00 173.24 170.60 2cr5 n GLU 18 N -3.95 0.21 -0.26 12.44 -0.00 -1.26 -1.44 120.64 126.39 2cr5 n GLU 18 Ca 0.08 0.13 0.08 0.00 -0.00 0.00 0.00 57.16 57.45 2cr5 n GLU 18 Cb 0.54 -1.50 0.19 0.00 -0.00 0.00 0.00 31.44 30.68 2cr5 n GLU 18 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2cr5 n THR 19 N -1.20 1.98 -2.38 3.84 -2.24 -1.26 -5.03 114.28 107.99 2cr5 n THR 19 Ca 0.06 -1.92 -0.28 0.00 -2.27 0.00 0.00 64.05 59.63 2cr5 n THR 19 Cb 0.07 -0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.15 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 s ALA 20 N -2.63 3.30 0.03 6.98 0.00 -0.52 -5.08 121.76 123.84 2cr5 s ALA 20 Ca 0.35 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 2cr5 s ALA 20 Cb 0.29 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 2cr5 s ALA 20 CO 0.07 -0.50 0.30 -1.21 0.00 0.00 0.00 175.76 174.42 2cr5 s GLU 21 N -4.90 3.62 -1.40 0.00 0.41 -1.26 -4.35 118.70 110.82 2cr5 s GLU 21 Ca 0.50 -0.03 -0.07 0.00 -0.41 0.00 0.00 54.97 54.96 2cr5 s GLU 21 Cb -0.11 -3.05 0.04 0.00 -1.78 0.00 0.00 34.13 29.23 2cr5 s GLU 21 CO 0.48 0.62 0.91 0.39 -0.49 0.00 0.00 175.26 177.17 2cr5 n GLU 22 N 1.02 -5.75 -4.48 1.61 1.02 -1.26 -4.92 120.64 107.88 2cr5 n GLU 22 Ca -0.10 0.66 -0.22 0.00 -0.02 0.00 0.00 57.16 57.48 2cr5 n GLU 22 Cb 0.53 -5.46 -0.16 0.00 -0.02 0.00 0.00 31.44 26.32 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2cr5 s VAL 23 N -3.44 0.94 0.42 2.62 0.11 -1.26 -1.66 120.40 118.14 2cr5 s VAL 23 Ca 0.36 -0.42 0.07 0.00 -2.93 0.00 0.00 61.98 59.07 2cr5 s VAL 23 Cb -0.17 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2cr5 s VAL 23 CO 0.80 0.30 0.26 0.68 -3.33 0.00 0.00 175.10 173.81 2cr5 s VAL 24 N 0.39 2.39 -0.19 2.04 -7.23 -0.80 -4.93 120.40 112.09 2cr5 s VAL 24 Ca -0.08 -1.56 -0.09 0.00 -1.81 0.00 0.00 61.98 58.45 2cr5 s VAL 24 Cb -0.12 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 2cr5 s VAL 24 CO 0.02 0.00 0.11 -0.89 -0.31 0.00 0.00 175.10 174.02 2cr5 s THR 25 N -2.56 5.19 -0.10 5.32 2.01 -1.26 -0.94 115.64 123.29 2cr5 s THR 25 Ca 0.43 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 2cr5 s THR 25 Cb 0.01 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.20 2cr5 s THR 25 CO 0.24 0.47 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.92 2cr5 s VAL 26 N 0.22 0.68 -0.01 3.82 1.01 0.70 -0.77 120.40 126.05 2cr5 s VAL 26 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2cr5 s VAL 26 Cb -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2cr5 s VAL 26 CO -0.01 0.25 -0.13 0.00 0.00 0.00 0.00 175.10 175.21 2cr5 s ALA 27 N 1.84 2.75 -0.20 5.51 0.00 -1.22 -0.90 121.76 129.55 2cr5 s ALA 27 Ca 0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 2cr5 s ALA 27 Cb -0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2cr5 s ALA 27 CO -0.07 0.58 0.05 -0.51 0.00 0.00 0.00 175.76 175.81 2cr5 s LEU 28 N -1.09 3.58 -0.40 0.00 1.43 0.23 0.22 118.68 122.66 2cr5 s LEU 28 Ca 0.14 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 2cr5 s LEU 28 Cb -0.11 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.23 2cr5 s LEU 28 CO 0.04 0.10 0.25 -0.13 0.23 0.00 0.00 176.35 176.83 2cr5 s ARG 29 N 0.82 2.82 0.37 1.70 0.52 -0.71 -2.39 118.95 122.08 2cr5 s ARG 29 Ca 0.03 -1.15 -0.14 0.00 -0.52 0.00 0.00 55.73 53.94 2cr5 s ARG 29 Cb -0.14 -3.82 -0.08 0.00 0.52 0.00 0.00 34.95 31.43 2cr5 s ARG 29 CO 0.02 -0.78 0.79 0.00 0.02 0.00 0.00 175.30 175.35 2cr5 n PRO 31 N -0.76 0.14 0.10 0.00 -0.04 -1.26 -2.31 135.00 130.87 2cr5 n PRO 31 Ca 0.04 0.18 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2cr5 n PRO 31 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2cr5 n PRO 31 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2cr5 h ASN 32 N 0.00 0.00 0.00 3.54 -0.73 -1.95 -3.48 115.58 112.97 2cr5 h ASN 32 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2cr5 h ASN 32 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 2cr5 h ASN 32 CO 0.00 0.58 0.00 0.61 -0.37 0.00 0.00 177.43 178.25 2cr5 n GLY 33 N 1.29 1.54 3.79 1.57 0.00 -0.98 -5.11 105.19 107.29 2cr5 n GLY 33 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 3.88 -0.13 1.61 0.52 -1.26 -4.89 118.95 118.68 2cr5 s ARG 34 Ca 0.00 1.49 -0.03 0.00 -0.52 0.00 0.00 55.73 56.67 2cr5 s ARG 34 Cb 0.00 -2.28 0.05 0.00 0.52 0.00 0.00 34.95 33.24 2cr5 s ARG 34 CO 0.00 -0.38 0.05 0.08 0.02 0.00 0.00 175.30 175.07 2cr5 s VAL 35 N -1.79 0.17 -0.19 3.52 1.01 -1.26 -2.26 120.40 119.59 2cr5 s VAL 35 Ca 0.64 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 2cr5 s VAL 35 Cb -0.21 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2cr5 s VAL 35 CO 0.25 -0.06 0.06 -0.76 0.00 0.00 0.00 175.10 174.59 2cr5 s LEU 36 N 2.03 3.70 -0.13 3.92 1.43 -1.01 -4.96 118.68 123.67 2cr5 s LEU 36 Ca 0.02 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 2cr5 s LEU 36 Cb -0.15 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2cr5 s LEU 36 CO -0.07 0.13 0.04 -0.13 0.23 0.00 0.00 176.35 176.55 2cr5 s ARG 37 N 0.64 3.45 -0.07 1.70 0.52 -1.26 -0.60 118.95 123.32 2cr5 s ARG 37 Ca 0.03 -0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 2cr5 s ARG 37 Cb -0.13 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.37 2cr5 s ARG 37 CO 0.02 0.53 0.37 1.03 0.02 0.00 0.00 175.30 177.26 2cr5 s ARG 38 N -0.36 0.60 0.41 3.54 0.52 -0.08 -4.97 118.95 118.61 2cr5 s ARG 38 Ca 0.08 0.15 -0.08 0.00 -0.52 0.00 0.00 55.73 55.36 2cr5 s ARG 38 Cb -0.12 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.57 2cr5 s ARG 38 CO 0.02 -0.14 0.74 1.03 0.02 0.00 0.00 175.30 176.98 2cr5 s ARG 39 N -0.65 3.69 -0.21 3.54 0.52 -1.26 -0.21 118.95 124.35 2cr5 s ARG 39 Ca -0.08 0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 55.35 2cr5 s ARG 39 Cb -0.04 -2.42 0.08 0.00 0.52 0.00 0.00 34.95 33.09 2cr5 s ARG 39 CO 0.03 -0.05 0.50 -0.06 0.02 0.00 0.00 175.30 175.74 2cr5 s PHE 40 N -2.44 -0.82 1.12 -0.53 0.40 -0.11 -4.31 117.98 111.28 2cr5 s PHE 40 Ca 0.49 1.63 -0.17 0.00 -0.60 0.00 0.00 56.93 58.29 2cr5 s PHE 40 Cb -0.10 0.41 0.15 0.00 0.51 0.00 0.00 43.02 43.99 2cr5 s PHE 40 CO 0.35 -0.44 0.33 1.19 0.70 0.00 0.00 175.22 177.35 2cr5 n PHE 41 N 4.59 -1.36 1.27 0.36 3.72 -1.26 -1.90 117.46 122.88 2cr5 n PHE 41 Ca -0.19 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.40 2cr5 n PHE 41 Cb 0.55 -1.62 0.35 0.00 -0.94 0.00 0.00 39.48 37.82 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -2.90 1.22 -0.03 -1.08 5.02 -0.66 -3.92 118.16 115.80 2cr5 n LYS 42 Ca 0.02 -0.79 -0.07 0.00 -2.02 0.00 0.00 58.31 55.45 2cr5 n LYS 42 Cb 0.59 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.98 2cr5 n LYS 42 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cr5 n SER 43 N -0.20 0.62 -4.76 4.39 3.41 -1.26 -3.78 113.62 112.04 2cr5 n SER 43 Ca 0.14 0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 2cr5 n SER 43 Cb 0.38 0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.62 2cr5 n SER 43 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2cr5 s TRP 44 N -2.65 2.89 0.20 7.33 0.51 -1.25 -4.69 118.94 121.27 2cr5 s TRP 44 Ca -0.06 1.09 -0.22 0.00 -2.12 0.00 0.00 56.10 54.79 2cr5 s TRP 44 Cb 0.08 -3.88 -0.08 0.00 -0.81 0.00 0.00 33.47 28.78 2cr5 s TRP 44 CO 0.83 -2.74 0.75 1.21 -0.51 0.00 0.00 176.95 176.49 2cr5 s ASN 45 N 0.11 7.20 0.44 2.95 3.84 -1.26 -1.55 114.94 126.67 2cr5 s ASN 45 Ca 0.57 1.52 0.39 0.00 0.21 0.00 0.00 52.86 55.55 2cr5 s ASN 45 Cb -0.43 -2.46 1.38 0.00 -0.55 0.00 0.00 41.25 39.19 2cr5 s ASN 45 CO 0.50 0.10 1.26 -1.54 -2.79 0.00 0.00 177.10 174.63 2cr5 n SER 46 N 1.07 0.02 -0.13 -4.21 3.41 -1.25 -0.51 113.62 112.02 2cr5 n SER 46 Ca -0.04 0.84 -0.11 0.00 -0.26 0.00 0.00 58.87 59.30 2cr5 n SER 46 Cb 0.50 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 2cr5 n SER 46 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2cr5 h GLN 47 N 0.00 -0.29 -1.65 4.33 1.08 -1.88 0.33 115.11 117.03 2cr5 h GLN 47 Ca 0.76 0.02 0.48 0.00 -1.45 0.00 0.00 58.65 58.46 2cr5 h GLN 47 Cb 2.97 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 30.40 2cr5 h GLN 47 CO -0.05 -0.19 1.21 1.55 -0.95 0.00 0.00 178.83 180.40 2cr5 n VAL 48 N -4.87 0.00 0.35 -0.54 3.14 0.34 0.54 118.33 117.28 2cr5 n VAL 48 Ca -0.03 1.26 -0.16 0.00 -2.96 0.00 0.00 64.34 62.46 2cr5 n VAL 48 Cb 0.27 -2.11 -0.08 0.00 -1.06 0.00 0.00 33.84 30.86 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -0.76 -0.96 6.55 3.38 -0.48 -2.95 115.31 120.09 2cr5 h LEU 49 Ca 0.79 -0.01 0.36 0.00 0.09 0.00 0.00 57.88 59.11 2cr5 h LEU 49 Cb 3.20 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 43.98 2cr5 h LEU 49 CO -0.01 -0.42 0.36 0.18 0.09 0.00 0.00 178.44 178.65 2cr5 n LEU 50 N -5.40 0.19 0.06 1.67 4.77 0.19 0.79 117.00 119.27 2cr5 n LEU 50 Ca -0.12 1.60 -0.13 0.00 -0.03 0.00 0.00 56.01 57.33 2cr5 n LEU 50 Cb 0.37 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2cr5 n LEU 50 CO 0.32 -1.74 0.80 -0.78 -1.33 0.00 0.00 177.39 174.66 2cr5 h ASP 51 N 0.00 -0.07 -0.92 -1.43 1.82 -1.53 -1.57 116.42 112.72 2cr5 h ASP 51 Ca 0.74 -0.10 0.01 0.00 -0.39 0.00 0.00 57.03 57.29 2cr5 h ASP 51 Cb 1.85 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 41.84 2cr5 h ASP 51 CO -0.79 0.05 0.60 -0.25 -1.61 0.00 0.00 179.24 177.24 2cr5 h TRP 52 N -0.19 1.16 -0.18 0.28 7.01 0.55 -1.54 115.95 123.04 2cr5 h TRP 52 Ca -0.01 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2cr5 h TRP 52 Cb 0.16 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 2cr5 h TRP 52 CO -0.04 0.74 -0.05 1.98 -2.79 0.00 0.00 178.44 178.28 2cr5 h MET 53 N 1.25 0.27 0.00 2.65 4.05 -0.73 -1.21 114.93 121.20 2cr5 h MET 53 Ca 0.33 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 2cr5 h MET 53 Cb -0.13 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.63 2cr5 h MET 53 CO -0.07 0.34 -0.03 0.52 0.23 0.00 0.00 176.91 177.90 2cr5 h MET 54 N 0.26 0.00 0.08 0.39 2.86 -0.39 0.09 114.93 118.23 2cr5 h MET 54 Ca 0.06 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.41 2cr5 h MET 54 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2cr5 h MET 54 CO 0.01 0.00 -1.49 0.87 1.06 0.00 0.00 176.91 177.36 2cr5 h LYS 55 N 0.00 0.18 0.00 1.72 1.79 -0.31 -3.31 116.57 116.63 2cr5 h LYS 55 Ca 0.00 -0.30 -0.06 0.00 -2.18 0.00 0.00 60.65 58.11 2cr5 h LYS 55 Cb 0.81 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 2cr5 h LYS 55 CO 0.00 1.01 -0.27 -0.39 -1.08 0.00 0.00 179.45 178.72 2cr5 h VAL 56 N 0.05 0.60 0.00 0.50 -1.51 -1.41 -3.46 116.25 111.02 2cr5 h VAL 56 Ca -0.22 -1.33 0.00 0.00 -1.23 0.00 0.00 66.70 63.92 2cr5 h VAL 56 Cb 1.98 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 33.04 2cr5 h VAL 56 CO 0.14 0.27 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 2cr5 n GLY 57 N 0.38 1.62 2.89 5.19 0.00 -1.20 -5.13 105.19 108.95 2cr5 n GLY 57 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.86 -0.22 0.80 1.61 2.02 0.01 -5.02 117.35 114.70 2cr5 s TYR 58 Ca 0.00 0.65 -0.12 0.00 -0.37 0.00 0.00 57.07 57.23 2cr5 s TYR 58 Cb 0.00 -0.18 0.08 0.00 -0.40 0.00 0.00 41.96 41.46 2cr5 s TYR 58 CO 0.00 -0.26 1.17 -1.58 -1.57 0.00 0.00 175.55 173.31 2cr5 s HIS 59 N 2.04 2.97 -0.21 2.71 2.46 -1.26 -1.81 115.29 122.19 2cr5 s HIS 59 Ca -0.00 0.76 -0.10 0.00 0.47 0.00 0.00 55.06 56.19 2cr5 s HIS 59 Cb -0.12 -3.47 -0.19 0.00 -0.13 0.00 0.00 32.58 28.67 2cr5 s HIS 59 CO -0.06 -1.73 0.05 0.36 -2.47 0.00 0.00 174.74 170.88 2cr5 n LYS 60 N -3.29 0.65 0.00 2.88 2.85 -1.26 -2.10 118.16 117.90 2cr5 n LYS 60 Ca 0.08 0.32 0.07 0.00 -1.05 0.00 0.00 58.31 57.74 2cr5 n LYS 60 Cb 0.61 -1.64 0.40 0.00 -0.65 0.00 0.00 35.03 33.75 2cr5 n LYS 60 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2cr5 n SER 61 N -3.85 0.00 0.00 -5.58 7.64 -1.26 -2.53 113.62 108.04 2cr5 n SER 61 Ca -0.40 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2cr5 n SER 61 Cb 0.91 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2cr5 n LEU 62 N -1.20 0.00 -3.87 -3.43 4.77 -1.26 -4.97 117.00 107.04 2cr5 n LEU 62 Ca 0.08 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2cr5 n LEU 62 Cb 0.10 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 2cr5 n LEU 62 CO 0.10 0.00 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.48 2cr5 s TYR 63 N -1.96 0.22 0.42 -1.77 1.51 -0.89 -2.74 117.35 112.13 2cr5 s TYR 63 Ca 0.00 -0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 2cr5 s TYR 63 Cb 0.00 -0.22 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 2cr5 s TYR 63 CO 0.00 -0.05 0.27 1.03 -1.11 0.00 0.00 175.55 175.70 2cr5 s ARG 64 N 0.34 2.35 -0.06 -0.62 0.52 -0.61 -4.02 118.95 116.86 2cr5 s ARG 64 Ca -0.03 -1.73 -0.00 0.00 -0.52 0.00 0.00 55.73 53.45 2cr5 s ARG 64 Cb -0.05 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 2cr5 s ARG 64 CO -0.01 -0.17 -0.02 -0.51 0.02 0.00 0.00 175.30 174.61 2cr5 s LEU 65 N -4.02 3.45 0.05 2.53 1.43 -1.26 -2.03 118.68 118.83 2cr5 s LEU 65 Ca 0.44 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 2cr5 s LEU 65 Cb 0.01 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 2cr5 s LEU 65 CO 0.25 0.35 -0.13 -0.94 0.23 0.00 0.00 176.35 176.10 2cr5 s SER 66 N -1.05 1.52 0.62 2.29 1.04 0.10 -1.10 113.70 117.13 2cr5 s SER 66 Ca 0.15 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 2cr5 s SER 66 Cb -0.11 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 2cr5 s SER 66 CO 0.04 -0.02 1.07 0.42 0.98 0.00 0.00 173.24 175.73 2cr5 s THR 67 N -0.99 3.72 0.11 2.02 -4.23 -1.17 0.66 115.64 115.76 2cr5 s THR 67 Ca -0.01 0.77 -0.28 0.00 -1.18 0.00 0.00 61.69 60.99 2cr5 s THR 67 Cb -0.08 -3.32 -0.10 0.00 1.34 0.00 0.00 72.50 70.34 2cr5 s THR 67 CO 0.01 -0.52 1.47 -1.28 -0.54 0.00 0.00 174.62 173.76 2cr5 h SER 68 N 0.18 -1.58 -3.19 3.99 0.87 -1.73 -3.40 113.55 108.70 2cr5 h SER 68 Ca -0.46 0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.38 2cr5 h SER 68 Cb 1.22 0.65 -0.27 0.00 -0.44 0.00 0.00 62.40 63.56 2cr5 h SER 68 CO 0.57 -0.35 0.51 0.72 -0.53 0.00 0.00 176.83 177.75 2cr5 s PHE 69 N -5.25 -0.41 0.67 2.24 -0.12 -1.26 -4.32 117.98 109.53 2cr5 s PHE 69 Ca -0.12 0.98 -0.14 0.00 -0.05 0.00 0.00 56.93 57.59 2cr5 s PHE 69 Cb 0.07 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 2cr5 s PHE 69 CO 0.52 -0.22 1.11 -1.25 -0.05 0.00 0.00 175.22 175.33 2cr5 s PRO 70 N 0.05 2.73 -0.14 1.99 0.04 -1.26 -5.07 135.00 133.35 2cr5 s PRO 70 Ca 0.03 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 2cr5 s PRO 70 Cb -0.04 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2cr5 s PRO 70 CO -0.06 -1.30 1.82 0.50 0.04 0.00 0.00 177.00 177.99 2cr5 s ARG 71 N -4.20 3.79 -0.10 4.56 3.52 -1.26 -4.64 118.95 120.63 2cr5 s ARG 71 Ca 0.66 2.01 -0.13 0.00 -0.13 0.00 0.00 55.73 58.15 2cr5 s ARG 71 Cb -0.20 -4.12 0.03 0.00 -1.56 0.00 0.00 34.95 29.10 2cr5 s ARG 71 CO 0.43 -1.32 0.33 0.50 -0.81 0.00 0.00 175.30 174.44 2cr5 s ARG 72 N 4.87 0.47 -0.14 5.12 6.06 -1.26 -5.00 118.95 129.06 2cr5 s ARG 72 Ca 0.81 0.31 -0.29 0.00 -2.50 0.00 0.00 55.73 54.06 2cr5 s ARG 72 Cb -0.31 0.22 -0.03 0.00 0.06 0.00 0.00 34.95 34.88 2cr5 s ARG 72 CO 0.33 -0.08 1.55 0.00 -2.50 0.00 0.00 175.30 174.60 2cr5 s ALA 73 N -0.19 3.50 0.21 6.12 0.00 -1.26 -3.06 121.76 127.06 2cr5 s ALA 73 Ca -0.03 0.65 -0.27 0.00 0.00 0.00 0.00 51.96 52.30 2cr5 s ALA 73 Cb -0.03 -3.76 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 2cr5 s ALA 73 CO 0.01 -1.56 0.85 -0.51 0.00 0.00 0.00 175.76 174.55 2cr5 s LEU 74 N 4.35 4.59 -0.12 0.00 1.43 -0.26 -5.01 118.68 123.66 2cr5 s LEU 74 Ca 0.68 1.76 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 2cr5 s LEU 74 Cb -0.27 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2cr5 s LEU 74 CO 0.26 0.17 0.03 -1.61 0.23 0.00 0.00 176.35 175.43 2cr5 s GLU 75 N -1.25 3.33 -0.12 1.70 0.41 -1.26 -4.64 118.70 116.87 2cr5 s GLU 75 Ca 0.39 -0.35 0.02 0.00 -0.41 0.00 0.00 54.97 54.61 2cr5 s GLU 75 Cb -0.24 -2.96 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 2cr5 s GLU 75 CO 0.28 0.59 -0.19 0.14 -0.49 0.00 0.00 175.26 175.59 2cr5 s VAL 76 N -0.54 2.53 0.49 2.63 -7.23 -1.26 -5.02 120.40 111.99 2cr5 s VAL 76 Ca 0.10 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2cr5 s VAL 76 Cb -0.12 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2cr5 s VAL 76 CO 0.02 0.54 0.01 -1.61 -0.31 0.00 0.00 175.10 173.75 2cr5 s GLU 77 N 0.36 2.15 0.10 4.82 2.02 -1.26 -5.01 118.70 121.87 2cr5 s GLU 77 Ca -0.15 -2.35 0.18 0.00 0.02 0.00 0.00 54.97 52.67 2cr5 s GLU 77 Cb -0.17 -1.49 -0.10 0.00 0.10 0.00 0.00 34.13 32.48 2cr5 s GLU 77 CO 0.07 -0.33 0.90 0.78 0.02 0.00 0.00 175.26 176.70 2cr5 h GLY 78 N 1.43 0.00 0.00 -1.39 0.00 -2.00 -3.38 103.07 97.73 2cr5 h GLY 78 Ca -0.43 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 2cr5 h GLY 78 CO 0.74 0.00 -2.06 0.61 0.00 0.00 0.00 176.54 175.83 2cr5 n GLY 79 N 1.35 -0.87 3.58 4.60 0.00 -1.26 -4.88 105.19 107.71 2cr5 n GLY 79 Ca -0.07 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 80 N -4.73 6.08 0.86 1.61 0.01 -1.26 -5.00 113.70 111.27 2cr5 s SER 80 Ca -0.08 0.37 -0.11 0.00 1.31 0.00 0.00 55.95 57.44 2cr5 s SER 80 Cb 0.08 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.88 2cr5 s SER 80 CO 0.75 -1.73 1.09 -0.94 0.41 0.00 0.00 173.24 172.83 2cr5 s SER 81 N 4.68 3.82 0.25 2.44 1.04 -1.26 -3.87 113.70 120.80 2cr5 s SER 81 Ca 0.55 1.50 -0.05 0.00 0.48 0.00 0.00 55.95 58.43 2cr5 s SER 81 Cb -0.12 -2.19 0.47 0.00 0.10 0.00 0.00 66.02 64.28 2cr5 s SER 81 CO 0.26 -2.42 1.67 -0.07 0.98 0.00 0.00 173.24 173.65 2cr5 h LEU 82 N -1.40 -0.10 -0.30 2.42 3.38 -1.48 0.19 115.31 118.02 2cr5 h LEU 82 Ca -0.48 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 2cr5 h LEU 82 Cb 1.27 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2cr5 h LEU 82 CO 0.55 -0.09 -0.19 -0.08 0.09 0.00 0.00 178.44 178.71 2cr5 h GLU 83 N 0.21 0.66 -0.42 1.13 4.22 -1.65 0.32 114.58 119.05 2cr5 h GLU 83 Ca 0.42 -0.31 0.04 0.00 0.08 0.00 0.00 59.36 59.59 2cr5 h GLU 83 Cb 0.74 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2cr5 h GLU 83 CO -0.57 0.91 0.18 -0.44 -2.18 0.00 0.00 179.01 176.91 2cr5 h ASP 84 N 0.42 0.24 0.24 1.04 3.32 -1.37 -1.35 116.42 118.95 2cr5 h ASP 84 Ca 0.06 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2cr5 h ASP 84 Cb 0.73 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2cr5 h ASP 84 CO 0.05 0.17 -0.21 0.16 -1.72 0.00 0.00 179.24 177.70 2cr5 h ILE 85 N 0.37 1.08 0.00 0.35 3.07 -0.69 -3.46 117.51 118.23 2cr5 h ILE 85 Ca 0.19 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.88 2cr5 h ILE 85 Cb 0.14 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 2cr5 h ILE 85 CO -0.16 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 2cr5 n GLY 86 N -0.88 0.60 2.29 0.16 0.00 -0.51 -5.08 105.19 101.78 2cr5 n GLY 86 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 0.49 0.86 -0.61 2.08 0.11 -4.85 119.36 117.44 2cr5 n ILE 87 Ca 0.00 -4.50 0.09 0.00 0.56 0.00 0.00 62.75 58.89 2cr5 n ILE 87 Cb 0.00 -1.89 -0.11 0.00 -0.75 0.00 0.00 39.64 36.89 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 1.10 0.00 -4.01 1.39 -2.24 -1.26 -3.72 114.28 105.54 2cr5 n THR 88 Ca 0.25 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.88 2cr5 n THR 88 Cb 0.49 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -2.77 0.16 -0.38 2.28 -7.23 -1.26 -4.89 120.40 106.30 2cr5 s VAL 89 Ca 0.07 -1.30 -0.34 0.00 -1.81 0.00 0.00 61.98 58.60 2cr5 s VAL 89 Cb 0.14 -0.89 -0.15 0.00 0.56 0.00 0.00 36.38 36.04 2cr5 s VAL 89 CO 0.76 -0.72 1.64 0.47 -0.31 0.00 0.00 175.10 176.95 2cr5 n ASP 90 N 0.83 0.58 -4.23 4.85 9.92 -1.26 -4.74 116.55 122.49 2cr5 n ASP 90 Ca -0.19 0.52 -0.28 0.00 -0.53 0.00 0.00 54.79 54.31 2cr5 n ASP 90 Cb 0.58 -0.69 -0.16 0.00 -0.64 0.00 0.00 41.12 40.21 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2cr5 s THR 91 N 4.60 1.73 -0.21 -3.53 2.01 0.05 -4.91 115.64 115.38 2cr5 s THR 91 Ca 0.92 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2cr5 s THR 91 Cb -1.15 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 2cr5 s THR 91 CO 0.51 0.49 0.17 -0.69 -0.69 0.00 0.00 174.62 174.40 2cr5 s VAL 92 N -0.44 5.38 0.30 3.82 1.01 -1.26 -3.41 120.40 125.80 2cr5 s VAL 92 Ca 0.06 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.35 2cr5 s VAL 92 Cb -0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2cr5 s VAL 92 CO -0.00 0.40 0.39 -0.76 0.00 0.00 0.00 175.10 175.12 2cr5 s LEU 93 N 0.63 3.99 -0.04 3.92 1.43 0.13 -1.99 118.68 126.76 2cr5 s LEU 93 Ca 0.09 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2cr5 s LEU 93 Cb -0.12 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2cr5 s LEU 93 CO 0.01 -0.29 0.06 0.20 0.23 0.00 0.00 176.35 176.56 2cr5 s ASN 94 N -4.07 0.66 0.03 2.29 0.01 0.21 -1.74 114.94 112.34 2cr5 s ASN 94 Ca 0.41 0.10 -0.22 0.00 -0.71 0.00 0.00 52.86 52.44 2cr5 s ASN 94 Cb -0.09 -0.06 -0.06 0.00 0.41 0.00 0.00 41.25 41.46 2cr5 s ASN 94 CO 0.29 -0.20 0.66 -0.69 -1.51 0.00 0.00 177.10 175.65 2cr5 s VAL 95 N 1.75 4.79 0.31 1.60 1.01 0.12 0.03 120.40 130.01 2cr5 s VAL 95 Ca -0.01 1.39 -0.09 0.00 0.00 0.00 0.00 61.98 63.27 2cr5 s VAL 95 Cb -0.12 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2cr5 s VAL 95 CO -0.03 0.43 0.52 -1.83 0.00 0.00 0.00 175.10 174.19 2cr5 s GLU 96 N -0.34 1.80 0.51 2.72 -1.05 -0.86 -4.05 118.70 117.43 2cr5 s GLU 96 Ca 0.33 -1.50 -0.15 0.00 -0.15 0.00 0.00 54.97 53.51 2cr5 s GLU 96 Cb -0.19 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 2cr5 s GLU 96 CO 0.20 -0.77 0.95 -1.21 0.95 0.00 0.00 175.26 175.38 2cr5 s GLU 97 N -3.35 3.88 0.00 -4.83 0.41 -1.26 -1.57 118.70 111.98 2cr5 s GLU 97 Ca 0.25 0.85 0.17 0.00 -0.41 0.00 0.00 54.97 55.82 2cr5 s GLU 97 Cb -0.01 -2.17 0.99 0.00 -1.78 0.00 0.00 34.13 31.16 2cr5 s GLU 97 CO 0.14 -0.26 1.62 1.63 -0.49 0.00 0.00 175.26 177.90 2cr5 n LYS 98 N -1.66 0.98 -2.32 1.61 5.02 -1.11 -4.63 118.16 116.05 2cr5 n LYS 98 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 2cr5 n LYS 98 Cb 0.54 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.26 2cr5 n LYS 98 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2cr5 s GLU 99 N -2.00 3.75 -0.59 1.97 2.02 -1.26 -4.96 118.70 117.63 2cr5 s GLU 99 Ca 0.25 1.22 0.01 0.00 0.02 0.00 0.00 54.97 56.48 2cr5 s GLU 99 Cb 0.11 -3.97 0.15 0.00 0.10 0.00 0.00 34.13 30.52 2cr5 s GLU 99 CO 0.19 -1.34 0.37 1.14 0.02 0.00 0.00 175.26 175.64 2cr5 s GLN 100 N 4.59 2.29 -0.81 1.61 -2.07 -1.26 -5.04 119.66 118.96 2cr5 s GLN 100 Ca 0.62 -2.68 -0.20 0.00 -1.82 0.00 0.00 55.36 51.28 2cr5 s GLN 100 Cb -0.17 -3.51 0.11 0.00 -1.09 0.00 0.00 33.01 28.34 2cr5 s GLN 100 CO 0.28 -1.15 1.05 0.45 -1.32 0.00 0.00 175.29 174.59 2cr5 s SER 101 N -0.02 6.43 -0.37 12.60 0.15 -1.26 -4.99 113.70 126.24 2cr5 s SER 101 Ca 0.18 -1.62 -0.08 0.00 0.70 0.00 0.00 55.95 55.14 2cr5 s SER 101 Cb -0.22 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2cr5 s SER 101 CO -0.03 -1.21 0.17 -0.44 1.20 0.00 0.00 173.24 172.93 2cr5 s SER 102 N 3.68 5.46 1.10 5.45 0.01 -1.26 -5.09 113.70 123.04 2cr5 s SER 102 Ca 0.28 -1.29 -0.19 0.00 1.31 0.00 0.00 55.95 56.06 2cr5 s SER 102 Cb -0.10 -1.92 0.08 0.00 0.21 0.00 0.00 66.02 64.29 2cr5 s SER 102 CO -0.01 -0.41 -0.05 0.00 0.41 0.00 0.00 173.24 173.17 2cr5 n GLN 103 N 4.85 -1.37 -3.51 12.44 1.13 -1.26 -5.04 117.38 124.62 2cr5 n GLN 103 Ca -0.11 -0.38 -0.00 0.00 -1.94 0.00 0.00 57.00 54.57 2cr5 n GLN 103 Cb 0.44 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.07 2cr5 n GLN 103 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2cr5 s SER 104 N -1.80 -0.57 0.00 1.08 1.04 -1.26 -5.09 113.70 107.09 2cr5 s SER 104 Ca 0.55 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2cr5 s SER 104 Cb -0.11 1.50 0.00 0.00 0.10 0.00 0.00 66.02 67.50 2cr5 s SER 104 CO 0.66 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.37 2cr5 n GLY 105 N 4.47 0.89 3.66 7.32 0.00 -1.26 -5.07 105.19 115.20 2cr5 n GLY 105 Ca -0.13 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N -0.22 4.15 -0.37 1.61 0.04 -1.26 -4.86 135.00 134.09 2cr5 s PRO 106 Ca 0.00 1.97 -0.33 0.00 0.04 0.00 0.00 61.00 62.68 2cr5 s PRO 106 Cb 0.00 -3.93 -0.14 0.00 0.04 0.00 0.00 34.50 30.47 2cr5 s PRO 106 CO 0.00 -0.86 1.48 -1.13 0.04 0.00 0.00 177.00 176.53 2cr5 n SER 107 N 7.15 0.62 -0.19 6.66 3.41 -1.26 -4.77 113.62 125.24 2cr5 n SER 107 Ca 0.16 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 2cr5 n SER 107 Cb 0.44 -0.65 0.09 0.00 -0.26 0.00 0.00 64.21 63.83 2cr5 n SER 107 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2cr5 h SER 108 N 5.97 -0.15 0.00 4.04 0.02 -2.05 -3.57 113.55 117.80 2cr5 h SER 108 Ca -0.13 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cr5 h SER 108 Cb 1.03 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2cr5 h SER 108 CO 0.78 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.02